01480nas a2200325 4500008004100000022001400041245025900055210006900314260007700383300001400460490000700474520024200481653002100723653003600744653002100780653000600801653001400807653001400821100001200835700001500847700002100862700001900883700002100902700001700923700002600940700001800966700001900984700002601003856012501029 2005 eng d a0947-653900a2,5-dioxido-1,4-benzoquinonediimine (H2L2-), a hydrogen-bonding noninnocent bridging ligand related to aminated topaquinone: different oxidation state distributions in complexes [{(bpy)(2)Ru}(2)(mu-H2L)](n) (n=0,+,2+,3+,4+) and [{(acac)(2)Ru}(2)(mu-H2L)]0 a25dioxido14benzoquinonediimine H2L2 a hydrogenbonding noninnocen aPO BOX 10 11 61, D-69451 WEINHEIM, GERMANYbWILEY-V C H VERLAG GMBHcAUG a4901-49110 v113 a

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

10abridging ligands10aDensity functional calculations10aEPR spectroscopy10aN10aO ligands10aruthenium1 aKar, S.1 aSarkar, B.1 aGhumaan, Sandeep1 aJanardanan, D.1 avan Slageren, J.1 aFiedler, Jan1 aPuranik, Vedavati, G.1 aSunoj, R., B.1 aKaim, Wolfgang1 aLahiri, Goutam, Kumar uhttps://library.ncl.res.in/content/25-dioxido-14-benzoquinonediimine-h2l2-hydrogen-bonding-noninnocent-bridging-ligand-101481nas a2200253 4500008004100000020001800041022001400059245008600073210006900159260011000228300001200338490000900350520057300359100002100932700001500953700001700968700001500985700002601000700002101026700001601047700002601063700001501089856012301104 2005 eng d a3-540-30506-8 a0302-974300aArrhythmia classification using local Holder exponents and support vector machine0 aArrhythmia classification using local Holder exponents and suppo a Statist Inst. Kolkata, IndiabSpringer-Verlag Berlin, Heidelberger Platz 3, D-14197 Berlin, GermanycDEC a242-2470 v37763 a

We propose a novel hybrid Holder-SVM detection algorithm for arrhythmia classification. The Holder exponents are computed efficiently using the wavelet transform modulus maxima (WTMM) method. The hybrid system performance is evaluated using the benchmark MIT-BIH arrhythmia database. The implemented model classifies 160 of Normal sinus rhythm, 25 of Ventricular bigeminy, 155 of Atrial fibrillation and 146 of Nodal (A-V junctional) rhythm with 96.94% accuracy. The distinct scaling properties of different types of heart rhythms may be of clinical importance.

1 aJoshi, Aniruddha1 aRajshekhar1 aChandran, S.1 aPhadke, S.1 aJayaraman, Valadi, K.1 aKulkarni, B., D.1 aPal, S., K.1 aBandyopadhyay, Sanjoy1 aBiswas, S. uhttps://library.ncl.res.in/content/arrhythmia-classification-using-local-holder-exponents-and-support-vector-machine-000679nas a2200193 4500008004100000022001400041245006100055210006100116260007100177300001400248490000800262100002100270700001300291700001600304700002500320700003000345700001500375856009500390 2005 eng d a0002-786300aBacterial aerobic synthesis of nanocrystalline magnetite0 aBacterial aerobic synthesis of nanocrystalline magnetite a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcJUL a9326-93270 v1271 aBharde, Atul, A.1 aWani, A.1 aShouche, Y.1 aJoy, Pattayil, Alias1 aPrasad, Bhagavatula L. V.1 aSastry, M. uhttps://library.ncl.res.in/content/bacterial-aerobic-synthesis-nanocrystalline-magnetite-002326nas a2200241 4500008004100000022001400041245018300055210006900238260007300307300001200380490000800392520131100400653001801711653002901729653005701758653003301815653002301848100002301871700001701894700001901911700002801930856012601958 2005 eng d a1381-116900aBis(2-[alpha-hydroxyethyl]benzimidazolato)copper(II) anchored onto chloromethylated polystyrene for the biomimetic oxidative coupling of 2-aminophenol to 2-aminophenoxazine-3-one0 aBis2alphahydroxyethylbenzimidazolatocopperII anchored onto chlor aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcJUL a132-1380 v2363 a

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

10a2-aminophenol10a2-aminophenoxazine-3-one10abis(2-[alpha-hydroxyethyl]benzimidazolato)copper(II)10achloromethylated polystyrene10aoxidative coupling1 aMaurya, Mannar, R.1 aSikarwar, S.1 aJoseph, Trissa1 aHalligudi, Shivappa, B. uhttps://library.ncl.res.in/content/bis2-alpha-hydroxyethylbenzimidazolatocopperii-anchored-chloromethylated-polystyrene-101799nas a2200217 4500008004100000022001400041245013000055210006900185260007300254300001200327490000800339520095800347653001001305653003201315653002701347653001701374100001901391700001401410700002801424856012901452 2005 eng d a1381-116900aBronsted acidic ionic liquids: a green, efficient and reusable catalyst system and reaction medium for fischer esterification0 aBronsted acidic ionic liquids a green efficient and reusable cat aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcJUN a107-1100 v2343 a

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

10aacids10aalcohol and reaction medium10aFischer esterification10aIonic liquid1 aJoseph, Trissa1 aSahoo, S.1 aHalligudi, Shivappa, B. uhttps://library.ncl.res.in/content/bronsted-acidic-ionic-liquids-green-efficient-and-reusable-catalyst-system-and-reaction-101732nas a2200229 4500008004100000022001400041245010600055210006900161260005700230300001200287490000800299520083700307653003901144653002001183653002201203653005201225100002601277700002401303700002401327700002301351856012801374 2005 eng d a1011-372X00aCarbon-free dry reforming of methane to syngas over NdCoO3 perovskite-type mixed metal oxide catalyst0 aCarbonfree dry reforming of methane to syngas over NdCoO3 perovs a233 SPRING ST, NEW YORK, NY 10013 USAbSPRINGERcAPR a271-2760 v1003 a

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

10aCO2 reforming of methane to syngas10aCoNdOx catalyst10aNdCoO3 perovskite10aresistance to carbon formation in CO2 reforming1 aChoudhary, Vasant, R.1 aMondal, Kartick, C.1 aMamman, Ajit, Singh1 aJoshi, Upendra, A. uhttps://library.ncl.res.in/content/carbon-free-dry-reforming-methane-syngas-over-ndcoo3-perovskite-type-mixed-metal-oxide-002203nas a2200253 4500008004100000022001400041245008000055210006900135260007300204300001000277490000800287520136700295653001201662653001001674653002401684653001101708653003401719653001201753100001901765700002001784700001801804700002001822856010701842 2005 eng d a0040-603100aCharacterization of nanocrystalline anatase titania: an in situ HTXRD study0 aCharacterization of nanocrystalline anatase titania an in situ H aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcMAR a37-410 v4273 a

Nanocrystalline titania was synthesized by the hydrolysis of titanium iso-propoxide using ultrasonication. The powder XRD patterns of the sample were recorded in static air and vacuum using a Philips X-pert Pro diffractometer equipped with a high-temperature attachment (HTK16) from room temperature (298 K) to 1173 K and were analyzed by the Rietveld refinement technique. The anatase to rutile phase transformation was observed at 1173 K for the data collected in static air. Only 3% of anatase titania transformed to rutile when the experiments were carried out at H 73 K in vacuum. The phase transformation from anatase to rutile is accompanied by a continuous increase in the crystallite size of the anatase phase from 9 nm at room temperature to 28 nm at 873 K and then to 50 nm at 1173 K in air while the process of crystallite growth was suppressed in vacuum. A linear increase in the unit cell parameters `a' and `c', and thus, an overall linear increase in the unit cell volume was observed as a function of temperature in static air as well as vacuum. The lattice and volume thermal expansion coefficients (TEC), alpha(a), alpha(c), and alpha(v) at 873 K are 8.57 x 10(-6), 8.71 x 10(-6) and 25.91 x 10(-6) K-1 in air and 18.01 x 10(-6), 14.95 x 10(-6) and 51.13 x 10(-6) K-1 in vacuum, respectively. (C) 2004 Elsevier B.V. All rights reserved.

10aAnatase10aHTXRD10aRietveld refinement10arutile10athermal expansion coefficient10atitania1 aJagtap, Neelam1 aBhagwat, Mahesh1 aAwati, Preeti1 aRamaswamy, Veda uhttps://library.ncl.res.in/content/characterization-nanocrystalline-anatase-titania-situ-htxrd-study-002718nas a2200229 4500008004100000022001400041245012700055210006900182260007100251300001600322490000700338520184800345100002002193700001902213700002202232700001502254700002002269700002502289700003002314700001502344856012902359 2005 eng d a0743-746300aCobalt and magnesium ferrite nanoparticles: preparation using liquid foams as templates and their magnetic characteristics0 aCobalt and magnesium ferrite nanoparticles preparation using liq a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcNOV a10638-106430 v213 a

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

1 aBala, Tanushree1 aSankar, C., R.1 aBaidakova, Marina1 aOsipov, V.1 aEnoki, Toshiaki1 aJoy, Pattayil, Alias1 aPrasad, Bhagavatula L. V.1 aSastry, M. uhttps://library.ncl.res.in/content/cobalt-and-magnesium-ferrite-nanoparticles-preparation-using-liquid-foams-templates-and-001120nas a2200193 4500008004100000022001400041245011700055210006900172260010600241300001400347490000700361520032000368100002200688700002200710700002700732700002200759700001900781856012600800 2005 eng d a0957-416600aConvenient synthesis of the enantiomerically pure beta-blocker (S)-betaxolol using hydrolytic kinetic resolution0 aConvenient synthesis of the enantiomerically pure betablocker Sb aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcNOV a3802-38060 v163 a

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

1 aJoshi, Ramesh, A.1 aGarud, Dinesh, R.1 aMuthukrishnan, Murugan1 aJoshi, Rohini, R.1 aGurjar, M., K. uhttps://library.ncl.res.in/content/convenient-synthesis-enantiomerically-pure-beta-blocker-s-betaxolol-using-hydrolytic-001415nas a2200169 4500008004100000022001400041245012500055210006900180260008100249300001400330490000700344520070200351100002001053700002201073700001801095856013201113 2005 eng d a0002-782000aConversion of fly ash - an environmentally detrimental waste to zeolite beta (BEA) for commercial catalytic applications0 aConversion of fly ash an environmentally detrimental waste to ze a9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLANDbBLACKWELL PUBLISHINGcNOV a3260-32630 v883 a

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

1 aKasture, M., W.1 aBokade, Vijay, V.1 aJoshi, P., N. uhttps://library.ncl.res.in/content/conversion-fly-ash-environmentally-detrimental-waste-zeolite-beta-bea-commercial-catalytic-001890nas a2200241 4500008004100000022001400041245011100055210006900166260007300235300001200308490000800320520101700328653001101345653001201356653001301368653001901381653003001400653002101430100001901451700002101470700002801491856012901519 2005 eng d a1381-116900aCopper(II) ion-exchanged montmorillonite as catalyst for the direct addition of N-H bond to CC triple bond0 aCopperII ionexchanged montmorillonite as catalyst for the direct aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcJUL a139-1440 v2363 a

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

10aalkyne10aAniline10aCatalyst10ahydroamination10aK-10 montmorillonite clay10aphenyl acetylene1 aJoseph, Trissa1 aShanbhag, G., V.1 aHalligudi, Shivappa, B. uhttps://library.ncl.res.in/content/copperii-ion-exchanged-montmorillonite-catalyst-direct-addition-n-h-bond-cc-triple-bond-002294nas a2200241 4500008004100000022001400041245010300055210006900158260008700227300001200314490000700326520137000333653002301703653002301726653002201749653003701771653002201808100002001830700001501850700003301865700002501898856012901923 2005 eng d a0095-244300aCure characteristics and dielectric properties of magnetic composites containing strontium ferrite0 aCure characteristics and dielectric properties of magnetic compo a1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLANDbSAGE PUBLICATIONS LTDcAPR a109-1210 v373 a

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

10ahexagonal ferrites10aMagnetic materials10apermanent magnets10arubber ferrite composites (RFCs)10astrontium ferrite1 aSoloman, M., A.1 aKurian, P.1 aAnantharaman, Maliemadom, R.1 aJoy, Pattayil, Alias uhttps://library.ncl.res.in/content/cure-characteristics-and-dielectric-properties-magnetic-composites-containing-strontium-001950nas a2200169 4500008004100000022001400041245006800055210006600123260008300189300001100272490000700283520132800290100002301618700002401641700002501665856009001690 2005 eng d a1098-012100aEffect of disorder on the magnetic properties of LaMn0.5Fe0.5O30 aEffect of disorder on the magnetic properties of LaMn05Fe05O3 aONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USAbAMERICAN PHYSICAL SOCcAUG a0544260 v723 a

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

1 aBhame, Shekhar, D.1 aJoly, V., L. Joseph1 aJoy, Pattayil, Alias uhttps://library.ncl.res.in/content/effect-disorder-magnetic-properties-lamn05fe05o3-101551nas a2200193 4500008004100000022001400041245009000055210006900145260010600214300001200320490000800332520078800340653003501128653002301163653001901186100001801205700002501223856010901248 2005 eng d a0038-109800aElectronic structure and ferromagnetism of polycrystalline Zn1-xCoxO (0 <= x <= 0.15)0 aElectronic structure and ferromagnetism of polycrystalline Zn1xC aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcJUN a665-6690 v1343 a

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

10aMagnetically ordered materials10aOptical properties10aSemiconductors1 aDeka, Sasanka1 aJoy, Pattayil, Alias uhttps://library.ncl.res.in/content/electronic-structure-and-ferromagnetism-polycrystalline-zn1-xcoxo-0-000931nas a2200181 4500008004100000022001400041245010300055210006900158260007300227300001200300490000700312520021700319100002700536700001800563700002200581700002200603856012400625 2005 eng d a0959-943600aFacile oxidation of flavanones to flavones using [hydroxy(tosyloxy)iodo]benzene in an ionic liquid0 aFacile oxidation of flavanones to flavones using hydroxytosyloxy aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcMAY a100-1010 v153 a

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

1 aMuthukrishnan, Murugan1 aPatil, P., S.1 aMore, Shivaji, V.1 aJoshi, Ramesh, A. uhttps://library.ncl.res.in/content/facile-oxidation-flavanones-flavones-using-hydroxytosyloxyiodobenzene-ionic-liquid-102439nas a2200241 4500008004100000022001400041245017000055210006900225260009500294300001200389490000800401520147800409653001401887653003201901653002101933653001301954100001901967700001301986700002201999700001702021700002802038856013102066 2005 eng d a0021-951700aFormation of nanosized zirconia-supported 12-tungstophosphoric acid in mesoporous silica SBA-15: a stable and versatile solid acid catalyst for benzylation of phenol0 aFormation of nanosized zirconiasupported 12tungstophosphoric aci a525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USAbACADEMIC PRESS INC ELSEVIER SCIENCEcOCT a341-3520 v2353 a

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

10ananosized10aphenol benzylation reaction10aterragonal phase10aTPA/ZrO21 aSawant, D., P.1 aVinu, A.1 aJacob, Nalini, E.1 aLefebvre, F.1 aHalligudi, Shivappa, B. uhttps://library.ncl.res.in/content/formation-nanosized-zirconia-supported-12-tungstophosphoric-acid-mesoporous-silica-sba-15-001083nas a2200193 4500008004100000022001400041245016200055210006900217260011000286300001200396490000600408520025500414100002600669700001300695700001800708700001400726700001900740856013000759 2005 eng d a1463-926200aGreen process for chlorine-free benzaldehyde from the solvent-free oxidation of benzyl alcohol with molecular oxygen over a supported nano-size gold catalyst0 aGreen process for chlorinefree benzaldehyde from the solventfree aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcOCT a768-7700 v73 a

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

1 aChoudhary, Vasant, R.1 aDhar, A.1 aJana, Prabhas1 aJha, Rani1 aUphade, B., S. uhttps://library.ncl.res.in/content/green-process-chlorine-free-benzaldehyde-solvent-free-oxidation-benzyl-alcohol-molecular-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-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-001654nas a2200181 4500008004100000022001400041245009200055210006900147260007200216300001400288490000700302520095000309100002101259700001901280700002601299700002101325856012601346 2005 eng d a1367-480300aIdentification of coding and non-coding sequences using local holder exponent formalism0 aIdentification of coding and noncoding sequences using local hol aGREAT CLARENDON ST, OXFORD OX2 6DP, ENGLANDbOXFORD UNIV PRESScOCT a3818-38230 v213 a

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

1 aKulkarni, O., C.1 aVigneshwar, R.1 aJayaraman, Valadi, K.1 aKulkarni, B., D. uhttps://library.ncl.res.in/content/identification-coding-and-non-coding-sequences-using-local-holder-exponent-formalism-002053nas a2200241 4500008004100000022001400041245010900055210006900164260007300233300001000306490000800316520118000324653002201504653001901526653002201545653002401567653001601591653002301607100001301630700001401643700002201657856013201679 2005 eng d a1381-116900aImmobilization of metallporphyrins on polystyrene: efficient catalysts for aerobic oxidation of alcohols0 aImmobilization of metallporphyrins on polystyrene efficient cata aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcSEP a46-500 v2383 a

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

10aaerobic oxidation10aImmobilization10ametalloporphyrins10amicro-encapsulation10aPolystyrene10aturnover frequency1 aNaik, R.1 aJoshi, P.1 aDeshpande, R., K. uhttps://library.ncl.res.in/content/immobilization-metallporphyrins-polystyrene-efficient-catalysts-aerobic-oxidation-alcohols-002054nas a2200229 4500008004100000020001800041022001400059245009100073210006900164260012300233300001200356490000800368520119500376100001901571700002201590700002101612700001301633700002801646700001501674700001701689856011801706 2005 eng d a0-444-51748-0 a0167-299100aImmobilized molybdovanadophosphoric acids on SBA-15 for selective oxidation of alkenes0 aImmobilized molybdovanadophosphoric acids on SBA15 for selective a Niagara Falls, CanadabElsevier Science BV, Sara Burgerhartstraat 25, Po Box 211, 1000 AE Amsterdam, NetherlandscJUN a769-7780 v1563 a

Vanadium substituted molybdophosphoric acids have been immobilized on amine functionalized SBA-15 and characterized by different techniques. Small angle X-ray scattering analysis and SEM technique provide evidence for the structural integrity of the samples. UV-Vis, NMR and IR data confirm the incorporation of molybdovanadophosphoric acids onto the amine functionalized SBA-15. The textural properties of these materials were studied by nitrogen sorption studies. Oxidation of cyclooctene and norbornene was carried out with oxidants in aqueous (aq. H2O2) and non-aqueous (TBHP extracted in dichloroethane) medium. The reactions were carried out with both the neat catalysts (homogeneous) and the immobilized catalysts (heterogenized) and the results were compared. The selectivity of the desired products was always > 99% with the immobilized catalyst with both aq.H2O2 and TBHP. However, while the leaching was negligible in the non-aqueous medium, the aqueous medium leads to considerable leaching. The immobilized catalysts could be separated after the reaction and the reusability of the catalyst has also been demonstrated especially with oxidant in the nonaqueous medium.

1 aRaj, N., K. K.1 aDeshpande, S., S.1 aIngle, Rohit, H.1 aRaja, T.1 aManikandan, Palanichamy1 aSayari, A.1 aJaroniec, M. uhttps://library.ncl.res.in/content/immobilized-molybdovanadophosphoric-acids-sba-15-selective-oxidation-alkenes-002391nas a2200241 4500008004100000022001400041245006900055210006500124260007300189300001200262490000700274520154300281653002601824653002201850653003901872653003501911653002301946100002401969700001701993700002302010700002002033856009602053 2005 eng d a0927-024800aInfluence of process pressure on HW-CVD deposited a-Si : H films0 aInfluence of process pressure on HWCVD deposited aSi H films aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcJAN a301-3120 v853 a

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

10aElectrical properties10aFTIR spectroscopy10ahot wire chemical vapor deposition10ahydrogenated amorphous silicon10aRaman spectroscopy1 aJadkar, Sandesh, R.1 aSali, J., V.1 aKshirsagar, S., T.1 aTakwale, M., G. uhttps://library.ncl.res.in/content/influence-process-pressure-hw-cvd-deposited-si-h-films-001835nas a2200229 4500008004100000022001400041245011600055210006900171260007300240300001000313490000800323520089300331653005201224653005701276653002701333653004001360653002301400100002601423700001401449700002101463856012101484 2005 eng d a1381-116900aIn-Mg-hydrotalcite anionic clay as catalyst or catalyst precursor for friedel-crafts type benzylation reactions0 aInMghydrotalcite anionic clay as catalyst or catalyst precursor  aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcSEP a76-810 v2393 a

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

10aactivation of In-Mg-hydrotalcite by calcination10aactivation of In-Mg-hydrotalcite by HCl pretreatment10abenzylation of benzene10abenzylation of substituted benzenes10aIn-Mg-hydrotalcite1 aChoudhary, Vasant, R.1 aJha, Rani1 aNarkhede, V., S. uhttps://library.ncl.res.in/content/mg-hydrotalcite-anionic-clay-catalyst-or-catalyst-precursor-friedel-crafts-type-001985nas a2200169 4500008004100000022001400041245011900055210006900174260007100243300001400314490000700328520128100335100001201616700002701628700002901655856013101684 2005 eng d a0888-588500aKinetic modeling of reductive alkylation of aniline with acetone using Pd/Al2O3 catalyst in a batch slurry reactor0 aKinetic modeling of reductive alkylation of aniline with acetone a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcJUL a5388-53960 v443 a

The kinetics of reductive alkylation of aniline with acetone was studied in a slurry reactor under isothermal conditions in a temperature range of 378-408 K using 3% Pd/Al2O3 catalyst. Experimental data on concentration-time as well as hydrogen consumption-time profiles were obtained to study the effect of concentration of aniline, catalyst loading, and partial pressure of hydrogen. Separate controlled experiments were performed to understand the nature of the condensation reaction between aniline and acetone, which forms the Shiff's base intermediate. From the concentration-time profiles and the effect of reaction conditions, it was found that the noncatalytic equilibrium formation of the Shiff base intermediate was the slowest step in the multistep reaction sequence. Several rate equations were considered to fit the batch slurry reactor data, and rate models based on competitive dissociative adsorption of hydrogen and the reactive substrates in the rate-limiting catalytic steps were found to represent the experimental data. The kinetic parameters were evaluated by fitting the integral batch reactor data at different temperatures. The activation energies, heat of adsorption, and entropy of adsorption of all the reactant species were also evaluated.

1 aRoy, D.1 aJaganathan, Rengaswamy1 aChaudhari, Raghunath, V. uhttps://library.ncl.res.in/content/kinetic-modeling-reductive-alkylation-aniline-acetone-using-pdal2o3-catalyst-batch-slurry-001511nas a2200217 4500008004100000022001400041245009700055210006900152260010600221300001400327490000700341520066100348653002001009653001401029653002801043653003001071100001701101700002601118700002101144856012801165 2005 eng d a0098-135400aKnowledge incorporated support vector machines to detect faults in Tennessee Eastman Process0 aKnowledge incorporated support vector machines to detect faults  aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcSEP a2128-21330 v293 a

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

10afault detection10aknowledge10asupport vector machines10aTennessee Eastman Process1 aKulkarni, A.1 aJayaraman, Valadi, K.1 aKulkarni, B., D. uhttps://library.ncl.res.in/content/knowledge-incorporated-support-vector-machines-detect-faults-tennessee-eastman-process-002021nas a2200205 4500008004100000022001400041245006200055210006200117260008800179300001200267490000700279520131700286653001901603653001901622100001801641700002201659700002301681700001601704856009501720 2005 eng d a0218-194000aLilliputian hardware platform for scientific applications0 aLilliputian hardware platform for scientific applications a5 TOH TUCK LINK, SINGAPORE 596224, SINGAPOREbWORLD SCIENTIFIC PUBL CO PTE LTDcAPR a189-1920 v153 a

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

10aLangmuir films10amicroconverter1 aIyer, Neelima1 aKhatavkar, Rupali1 aJoshi, Bhagyashree1 aUpadhye, V. uhttps://library.ncl.res.in/content/lilliputian-hardware-platform-scientific-applications-001328nas a2200253 4500008004100000022001400041245013400055210006900189260007300258300001400331490000700345520039400352653002500746653001200771653002000783653003000803653002300833653001800856100001400874700001600888700001600904700002500920856012900945 2005 eng d a0167-577X00aLow-temperature synthesis of nanocrystalline powders of lithium ferrite by an autocombustion method using citric acid and glycine0 aLowtemperature synthesis of nanocrystalline powders of lithium f aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcSEP a2630-26330 v593 a

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

10aCombustion synthesis10aLiFe5O810alithium ferrite10alow-temperature synthesis10aMagnetic materials10aNanomaterials1 aVerma, S.1 aKarande, J.1 aPatidar, A.1 aJoy, Pattayil, Alias uhttps://library.ncl.res.in/content/low-temperature-synthesis-nanocrystalline-powders-lithium-ferrite-autocombustion-method-001882nas a2200241 4500008004100000022001400041245011400055210006900169260008900238300001200327490000700339520096200346653001901308653001701327653002301344653001901367653003001386100002001416700001501436700003301451700002501484856013101509 2005 eng d a0971-457X00aMagnetic and processability studies of nitrile rubber vulcanisates containing barium ferrite and carbon black0 aMagnetic and processability studies of nitrile rubber vulcanisat aDR K S KRISHNAN MARG, NEW DELHI 110 012, INDIAbNATL INST SCIENCE COMMUNICATIONcSEP a582-5870 v123 a

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

10abarium ferrite10acarbon black10aMagnetic materials10anitrile rubber10arubber ferrite composites1 aSoloman, M., A.1 aKurian, P.1 aAnantharaman, Maliemadom, R.1 aJoy, Pattayil, Alias uhttps://library.ncl.res.in/content/magnetic-and-processability-studies-nitrile-rubber-vulcanisates-containing-barium-ferrite-002286nas a2200217 4500008004100000020001800041245009800059210006900157260009600226300001200322520144500334100002001779700001801799700001401817700001901831700002201850700002501872700002301897700001901920856012901939 2005 eng d a1-57498-218-400aMagnetic properties of nanosized ferrite powders synthesized by microwave-hydrothermal method0 aMagnetic properties of nanosized ferrite powders synthesized by  aSan Francisco, CAbAmer Ceramic Soc, 735 Ceramic Place, Westerville, OH 43081-8720 USAcAUG a143-1483 a

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

1 aKhollam, Y., B.1 aDhage, S., R.1 aVerma, S.1 aPotdar, H., S.1 aDeshpande, S., B.1 aJoy, Pattayil, Alias1 aDate, Sadgopal, K.1 aSoohoo, R., F. uhttps://library.ncl.res.in/content/magnetic-properties-nanosized-ferrite-powders-synthesized-microwave-hydrothermal-method-002195nas a2200157 4500008004100000022001400041245007300055210006900128260008300197300001100280490000700291520159200298100001901890700002501909856010301934 2005 eng d a1098-012100aMagnetic properties of the self-doped lanthanum manganites La1-xMnO30 aMagnetic properties of the selfdoped lanthanum manganites La1xMn aONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USAbAMERICAN PHYSICAL SOCcJUL a0244050 v723 a

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

1 aSankar, C., R.1 aJoy, Pattayil, Alias uhttps://library.ncl.res.in/content/magnetic-properties-self-doped-lanthanum-manganites-la1-xmno3-101078nas a2200229 4500008004100000022001400041245009400055210006900149260007600218300001200294520022300306653001300529653003100542653002400573653001400597653002100611100002200632700002200654700002500676700002200701856012500723 2005 eng d a0308-234200aMicrowave promoted solvent-free one-pot synthesis of N,N `-disubstituted urea derivatives0 aMicrowave promoted solventfree onepot synthesis of NN disubstitu aPO BOX 314, ST ALBANS AL1 4ZG, HERTS, ENGLANDbSCIENCE REVIEWS LTDcMAR a205-2083 a

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

10aAnilines10amethyl 3-amino-2-butenoate10amethyl anthranilate10aMicrowave10aurea derivatives1 aJadhav, Vinod, H.1 aDeshpande, S., S.1 aBorate, Hanumant, B.1 aWakharkar, R., D. uhttps://library.ncl.res.in/content/microwave-promoted-solvent-free-one-pot-synthesis-nn-disubstituted-urea-derivatives-002698nas a2200229 4500008004100000022001400041245008600055210006900141260009600210300001400306490000700320520189900327653002302226653001602249653000802265653001802273653001002291100001802301700001802319700001902337856011202356 2005 eng d a0009-250900aModeling of vaporization and cracking of liquid oil injected in a gas-solid riser0 aModeling of vaporization and cracking of liquid oil injected in  aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbChem Engn Grp NancycNOV a6049-60660 v603 a

Vaporization and cracking of liquid oil injected in a gas-solid riser (fluid catalytic cracking riser reactor) was computationally studied in this work. Evaporation of a single drop injected in a stream of gas-solid mixture was analyzed first. A model for simulating evaporation of a drop considering heat transfer from the gas phase as well as from the solid particles was developed. The model relates the evaporation rate of droplet with rate of collisions of solid particles, specific heat capacities of solid and liquid, latent heat of vaporization, relative velocity of gas and liquid and temperatures of three phases. The understanding gained from such a model was then extended to simulate evaporation of liquid drops injected in FCC risers. The Eulerian-Lagrangian approach was used to simulate simultaneous evaporation and cracking reactions occurring in FCC riser reactors. A commercial CFD code, FLUENT (of Fluent Inc., USA) was used. Four and ten lump models were used for simulating cracking reactions. Appropriate user defined functions were developed to implement heterogeneous kinetics and heat transfer models in FLUENT. A special algorithm was developed to calculate accumulated coke on catalyst particles. A boiling point range was considered for simulating realistic oil feedstock. The model was first evaluated by comparing predicted results with published industrial data. The simulations were then carried out to understand influence of key design and operating parameters on performance of FCC riser reactors. The parameters studied included; initial oil droplet distribution, catalyst inlet temperature, catalyst to oil ratio and thermal cracking. The approach, model and results presented here would be useful for optimization of FCC operation, cost to benefit analysis of new FCC nozzles and related decision-making. (c) 2005 Elsevier Ltd. All rights reserved.

10acracking reactions10aEvaporation10aFCC10aheat transfer10ariser1 aNayak, S., V.1 aJoshi, S., L.1 aRanade, V., V. uhttps://library.ncl.res.in/content/modeling-vaporization-and-cracking-liquid-oil-injected-gas-solid-riser-002217nas a2200277 4500008004100000022001400041245015200055210006900207260007900276300001200355490000700367520121900374653000801593653001301601653002101614653001601635653002401651100002001675700002001695700002501715700001801740700002401758700001401782700001601796856012701812 2005 eng d a0730-725X00aMorphology and chain dynamics during collapse transition of PNIPAM gels studied by combined imaging, relaxometry and Xe-129 spectroscopy techniques0 aMorphology and chain dynamics during collapse transition of PNIP a360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USAbELSEVIER SCIENCE INCcFEB a249-2530 v233 a

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

10agel10anetworks10aphase transition10arelaxometry10aXe-129 spectroscopy1 aKariyo, Sobiroh1 aKuppers, Markus1 aBadiger, Manohar, V.1 aPrabhakar, A.1 aJagadeesh, Bharatam1 aStapf, S.1 aBlumich, B. uhttps://library.ncl.res.in/content/morphology-and-chain-dynamics-during-collapse-transition-pnipam-gels-studied-combined-001482nas a2200253 4500008004100000022001400041245006700055210006500122260006900187300001200256490000700268520065100275653003600926653001800962653001400980653001400994100002101008700002201029700001601051700001801067700001801085700002201103856010301125 2005 eng d a0254-058400aNanostructured tin oxide: synthesis and gas-sensing properties0 aNanostructured tin oxide synthesis and gassensing properties aPO BOX 564, 1001 LAUSANNE, SWITZERLANDbELSEVIER SCIENCE SAcAUG a384-3880 v923 a

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

10ahydrogen and hydrocarbon sensor10aNanostructure10aruthenium10atin oxide1 aNiranjan, R., S.1 aHwang, Young, Kyu1 aKim, D., K.1 aJhung, S., H.1 aChang, J., S.1 aMulla, Imtiaz, S. uhttps://library.ncl.res.in/content/nanostructured-tin-oxide-synthesis-and-gas-sensing-properties-001461nas a2200193 4500008004100000022001400041245006200055210006100117260008100178300001400259490000700273520079500280100001401075700002001089700001701109700002001126700002501146856009601171 2005 eng d a0002-782000aNovel low-temperature synthesis of nanosized NiZn ferrite0 aNovel lowtemperature synthesis of nanosized NiZn ferrite a9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLANDbBLACKWELL PUBLISHINGcSEP a2597-25990 v883 a

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

1 aVerma, S.1 aPradhan, S., D.1 aPasricha, R.1 aSainkar, S., R.1 aJoy, Pattayil, Alias uhttps://library.ncl.res.in/content/novel-low-temperature-synthesis-nanosized-nizn-ferrite-001417nas a2200157 4500008004100000022001400041245014200055210006900197260011000266300001400376520067800390100002601068700001601094700001801110856013101128 2005 eng d a1359-734500aNovel route for in-situ H2O2 generation from selective reduction of O-2 by hydrazine using heterogeneous Pd catalyst in an aqueous medium0 aNovel route for insitu H2O2 generation from selective reduction  aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcOCT a5399-54013 a

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

1 aChoudhary, Vasant, R.1 aSamanta, C.1 aJana, Prabhas uhttps://library.ncl.res.in/content/novel-route-situ-h2o2-generation-selective-reduction-o-2-hydrazine-using-heterogeneous-pd-002112nas a2200289 4500008004100000022001400041245009300055210006900148260009900217300001400316490000700330520111900337653002201456653001701478653001701495653001701512653001301529100002501542700002101567700002201588700001601610700001701626700002501643700002201668700001601690856011601706 2005 eng d a1359-511300aOptimization and scale up of production of alkaline protease from Conidiobolus coronatus0 aOptimization and scale up of production of alkaline protease fro aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLANDbELSEVIER SCI LTDcSEP a3152-31580 v403 a

Alkaline protease secreted by Conidiobolus coronatus has been evaluated extensively in tanneries and finds application in pre-tanning operations in leather manufacture. It is important to produce the enzyme in inexpensive and optimized media on large scale for the process to be commercially viable. The present paper describes optimization of fermentation conditions in shake flasks and scale up of production to 100 L in fermentors. The production is complete in 2-3 days comparable to bacterial fermentations. The organism utilized several carbon sources such as starch, sucrose, lactose, glucose and fructose for production. Soyabean meal at an optimum concentration of 2-3% was found to be best inducer. Diammonium hydrogen phosphate, casamino acids and Hi-media peptone gave activities comparable to yeast extract. Preservation and stabilization studies showed that glycerol conferred considerable stabilization at room temperature while ammonium sulphate precipitated enzyme at 0.9 saturation was best with stability up to 2 years even at room temperature. (c) 2005 Elsevier Ltd. All rights reserved.

10aAlkaline Protease10aConidiobolus10aFermentation10aOptimization10ascale up1 aLaxman, Ryali, Seeta1 aSonawane, A., P.1 aMore, Shivaji, V.1 aRao, B., S.1 aRele, M., V.1 aJogdand, Vitthal, V.1 aDeshpande, V., V.1 aRao, M., B. uhttps://library.ncl.res.in/content/optimization-and-scale-production-alkaline-protease-conidiobolus-coronatus-001726nas a2200217 4500008004100000022001400041245009400055210006900149260007300218300001200291490000800303520090900311653004101220653002901261653001301290653002501303653000801328100001901336700002801355856012501383 2005 eng d a1381-116900aOxyfunctionalization of limonene using vanadium complex anchored on functionalized SBA-150 aOxyfunctionalization of limonene using vanadium complex anchored aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcMAR a241-2470 v2293 a

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

10acovalently anchored vanadium complex10afunctionalized Si-SBA-1510alimonene10aoxofunctionalization10aUHP1 aJoseph, Trissa1 aHalligudi, Shivappa, B. uhttps://library.ncl.res.in/content/oxyfunctionalization-limonene-using-vanadium-complex-anchored-functionalized-sba-15-101996nas a2200241 4500008004100000022001400041245019800055210006900253260009500322300001200417490000800429520105500437653001401492653000801506653000901514653002301523653002401546653001001570653001301580100002101593700001101614856012901625 2005 eng d a0006-291X00aPurification and properties of a low molecular weight 1,4-beta-D-glucan glucohydrolase having one active site for carboxymethyl cellulose and xylan from an alkalothermophilic Thermomonospora sp0 aPurification and properties of a low molecular weight 14betaDglu a525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USAbACADEMIC PRESS INC ELSEVIER SCIENCEcAPR a111-1160 v3293 a

A low molecular weight 1,4-beta-D-glucan glucohydrolase from an extracellular culture filtrate of Thermomonospora sp. was purified to homogeneity. The molecular weight of the purified enzyme was 14.2 kDa by MALDI-TOF analysis and is in agreement with SDS-PAGE and gel filtration chromatography. The purified enzyme exhibited both endocarboxymethyl cellulase and endoxylanase activities. A kinetic method was employed to study the active site of the enzyme that hydrolyzes both carboxymethyl cellulose and xylan. The experimental data coincide well with the theoretical values calculated for the case of a single active site. Conformation and microenvironment at the active site was probed with fluorescent chemo-affinity labeling using o-phthalaidehyde as the chemical initiator. Formation of isoindole derivative resulted in complete inactivation of the enzyme to hydrolyze both xylan and CMC as judged by fluorescence studies corroborating a single active site for the hydrolysis of xylan and CMC. (C) 2005 Elsevier Inc. All rights reserved.

10aCellulase10aCMC10aOPTA10asingle active site10aThermomonospora sp.10axylan10aXylanase1 aJagtap, Sharmili1 aRao, M uhttps://library.ncl.res.in/content/purification-and-properties-low-molecular-weight-14-beta-d-glucan-glucohydrolase-having-001523nas a2200265 4500008004100000022001400041245005500055210005300110260009500163300001200258490000800270520066200278653001400940653002300954653002600977653002401003653002801027653001601055100002201071700001501093700001701108700002401125700001901149856008901168 2005 eng d a0021-951700aRearrangement of allyl phenyl ether over Al-MCM-410 aRearrangement of allyl phenyl ether over AlMCM41 a525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USAbACADEMIC PRESS INC ELSEVIER SCIENCEcJAN a105-1130 v2293 a

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

10aAl-MCM-4110aallyl phenyl ether10aClaisen rearrangement10aMesoporous material10amolecular rearrangement10aSolid acids1 aMathew, Nevin, T.1 aKhaire, S.1 aMayadevi, S.1 aJha, Ratnesh, Kumar1 aSivasanker, S. uhttps://library.ncl.res.in/content/rearrangement-allyl-phenyl-ether-over-al-mcm-41-001752nas a2200241 4500008004100000022001400041245008900055210006900144260009500213300001400308490000700322520087700329653002501206653001101231653002001242653001701262653001901279100001801298700002101316700002601337700002101363856012601384 2005 eng d a0263-876200aRegression models using pattern search assisted least square support vector machines0 aRegression models using pattern search assisted least square sup a165-189 RAILWAY TERRACE, DAVIS BLDG, RUGBY CV21 3HQ, ENGLANDbINST CHEMICAL ENGINEERScAUG a1030-10370 v833 a

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

10aequality constraints10aLS-SVM10amodel selection10aOptimization10apattern search1 aPatil, N., S.1 aShelokar, P., S.1 aJayaraman, Valadi, K.1 aKulkarni, B., D. uhttps://library.ncl.res.in/content/regression-models-using-pattern-search-assisted-least-square-support-vector-machines-002977nas a2200289 4500008004100000022001400041245010200055210006900157260007400226300001200300490000700312520202900319653001302348653001302361653001102374653000802385653001502393653001502408653003302423653002602456653001402482100001102496700001302507700002102520700001702541856012902558 2005 eng d a1386-614100aResponse of trichogramma chilonis to infochemicals: an SEM and electrophysiological investigation0 aResponse of trichogramma chilonis to infochemicals an SEM and el aVAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDSbSPRINGERcJUN a429-4470 v503 a

The external morphology and peripheral olfactory responses of antennal chemoreceptors of Trichogramma chilonis Ishii (Hymenoptera:Trichogrammatidae) to host related stimuli were examined by SEM and EAG technique respectively. The antennae of male and female T. chilonis reveal strong sexual dimorphism in structure as well as in types, density and distribution of individual sensillar types. The female antennae are characterized by the presence of a single uniporous sensilla on the apical tip of the dome and numerous multiporous pitted sensilla. Sensilla common to both males and females include the multiporous plate sensilla, the peg sensilla and trichoid sensilla. Differences between males and females occur with respect to their EAG profiles to 22 chemicals commonly found in plants viz., hexanal, β-pinene, citronellal, terpinene, citronellol, phytol, caryophyllene, R-(+)-limonene, linalool, carvacrol, cis-3-hexen-1-ol, ethanol, α-pinene, trans-2-hexanal, α-phellandrene, amyl acetate, cineole, quinolene, S-(-)limonene, β-myrcene, carvone, terpineol; hexane leaf extracts of three host plants of Helicoverpa armigera (cotton, chickpea and pigeon pea) and hexane scale extracts of adult males and females of H. armigera. Individually, the largest peak amplitudes in females were obtained with citronellal, phytol, caryophyllene, R-(+)-limonene, linalool, carvacrol and citronellol while in males citronellol, caryophyllene, linalool, R-(+)-limonene and amyl acetate caused the highest response. Among the different chemical classes, the largest peak amplitudes in females were obtained with oxygenated monoterpenes, while in males, fatty acid derivatives caused the highest response. In both males and females, the hydrocarbon monoterpenes caused the least response. Thus, the wide spectrum response of Trichogramma chilonis, to a wide group of chemicals belonging to different chemical classes, though varying, nevertheless suggests that using plant information enhances its parasitization efficiency.

10aantennae10aChickpea10acotton10aEAG10aparasitoid10apigeon pea10ascanning electron microscopy10aTrichogramma chilonis10aVolatiles1 aSen, A1 aRaina, R1 aJoseph, Mary, P.1 aTungikar, VB uhttps://library.ncl.res.in/content/response-trichogramma-chilonis-infochemicals-sem-and-electrophysiological-investigation-002996nas a2200145 4500008004100000245007300041210006900114260000800183300001600191490000700207520249000214100002302704700002702727856009602754 2005 eng d00aReview on bubble formation, rise and break-up in a gas-liquid system0 aReview on bubble formation rise and breakup in a gasliquid syste cMAY a5873–59310 v443 a

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

1 aKulkarni, Amol, A.1 aJoshi, Jyeshtharaj, B. uhttps://library.ncl.res.in/content/review-bubble-formation-rise-and-break-gas-liquid-system01164nas a2200157 4500008004100000022001400041245008200055210006900137260008300206300001100289490000700300520054200307100001900849700002500868856011300893 2005 eng d a1098-012100aSuperspin glass behavior of a nonstoichiometric lanthanum manganite LaMnO3.130 aSuperspin glass behavior of a nonstoichiometric lanthanum mangan aONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USAbAMERICAN PHYSICAL SOCcOCT a1324070 v723 a

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

1 aSankar, C., R.1 aJoy, Pattayil, Alias uhttps://library.ncl.res.in/content/superspin-glass-behavior-nonstoichiometric-lanthanum-manganite-lamno313-101272nas a2200217 4500008004100000022001400041245011200055210006900167260010600236300001000342490000700352520044400359653001900803653002400822653000800846653001800854100001400872700002600886700002100912856012100933 2005 eng d a0031-320300aSVM classifier incorporating simultaneous noise reduction and feature selection: illustrative case examples0 aSVM classifier incorporating simultaneous noise reduction and fe aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcJAN a41-490 v383 a

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

10aclassification10aconditional entropy10aSVM10asymbolization1 aKumar, R.1 aJayaraman, Valadi, K.1 aKulkarni, B., D. uhttps://library.ncl.res.in/content/svm-classifier-incorporating-simultaneous-noise-reduction-and-feature-selection-001315nas a2200169 4500008004100000020001800041245007000059210006900129260010700198300001200305520063900317100001800956700002300974700002500997700001901022856010401041 2005 eng d a1-57498-218-400aSynthesis and magnetic properties of polycrystalline Co-doped ZnO0 aSynthesis and magnetic properties of polycrystalline Codoped ZnO aSan Francisco, CAbAmer Ceram Soc; Japan Soc Powder & Powder Met; Int Magnet Assoc; Amer Phys SoccAUG a913-9183 a

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

1 aDeka, Sasanka1 aDate, Sadgopal, K.1 aJoy, Pattayil, Alias1 aSoohoo, R., F. uhttps://library.ncl.res.in/content/synthesis-and-magnetic-properties-polycrystalline-co-doped-zno-001408nas a2200241 4500008004100000022001400041245017900055210006900234260007300303300001000376490000700386520037900393653004100772653004300813653004500856653003100901100002300932700001700955700001900972700002800991700002801019856011901047 2005 eng d a1381-514800aSynthesis, characterization and catalytic potentials of polymer anchored copper(II), oxovanadium(IV) and dioxomolybdenum(VI) complexes of 2-(alpha-hydroxymethyl)benzimidazole0 aSynthesis characterization and catalytic potentials of polymer a aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcMAR a71-830 v633 a

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

10a2-(alpha-hydroxymethyl)benzimidazole10aoxidation of styrene and ethyl benzene10aoxidative bromination of salicylaldehyde10apolymer anchored-complexes1 aMaurya, Mannar, R.1 aSikarwar, S.1 aJoseph, Trissa1 aManikandan, Palanichamy1 aHalligudi, Shivappa, B. uhttps://library.ncl.res.in/content/synthesis-characterization-and-catalytic-potentials-polymer-anchored-copperii-101691nas a2200265 4500008004100000022001400041245012400055210006900179260008600248300001400334490000800348520073300356653000901089653002701098653002301125653001901148100002201167700001301189700001801202700002101220700002401241700001501265700001601280856012901296 2005 eng d a1060-132500aSynthesis, characterization, and performance evaluation of polymeric HALS in ethylene-propylene-diene terpolymer (EPDM)0 aSynthesis characterization and performance evaluation of polymer a325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USAbTAYLOR & FRANCIS INCcAUG a1037-10460 vA423 a

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

10aEPDM10alight induced grafting10aPhotostabilization10apolymeric HALS1 aLonkar, Sunil, P.1 aRana, S.1 aSingh, R., P.1 aLacoste, Jacques1 aGardette, Jean, Luc1 aJestin, F.1 aBrocord, E. uhttps://library.ncl.res.in/content/synthesis-characterization-and-performance-evaluation-polymeric-hals-ethylene-propylene-001967nas a2200253 4500008004100000022001400041245015400055210006900209260007300278300001200351490000800363520102100371653001701392653001701409653001001426653002201436653001801458100001801476700002201494700002701516700002301543700002501566856012201591 2005 eng d a1381-116900aSynthesis, characterization and photo catalytic degradation of aqueous eosin over Cr containing Ti/MCM-41 and SiO2-TiO2 catalysts using visible light0 aSynthesis characterization and photo catalytic degradation of aq aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcFEB a149-1540 v2263 a

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

10aCr-Ti/MCM-4110aCr/SiO2-TiO210aeosin10aphoto degradation10avisible light1 aAwate, S., V.1 aJacob, Nalini, E.1 aDeshpande, Suvarna, S.1 aGaydhankar, T., R.1 aBelhekar, Anagha, A. uhttps://library.ncl.res.in/content/synthesis-characterization-and-photo-catalytic-degradation-aqueous-eosin-over-cr-001257nas a2200205 4500008004100000022001400041245007600055210006900131260009900200300001200299490000700311520051100318653001600829653002400845653001800869100002400887700001700911700001300928856011000941 2005 eng d a0272-884200aSynthesis of bismuth oxide nanoparticles using bismuth nitrate and urea0 aSynthesis of bismuth oxide nanoparticles using bismuth nitrate a aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLANDbELSEVIER SCI LTDcJAN a495-4970 v313 a

A mixture of bismuth nitrate and urea is taken in 1:5 molar ratio and heated on hot water bath. A precipitate is formed on evaporation of the water which on decomposition at 400 degrees C produces nanocrystalline Bi2O3 particles. Formation of nano crystallites of Bi2O3 is confirmed by X-ray diffraction (XRD) study. Transmission electron microscopy (TEM) investigations revealed for these powders an average particle size of 50 nm. (c) 2004 Elsevier Ltd and Techna Group S.r.l. All rights reserved.

10acalcination10aElectron microscopy10aX-ray methods1 aJha, Ratnesh, Kumar1 aPasricha, R.1 aRavi, V. uhttps://library.ncl.res.in/content/synthesis-bismuth-oxide-nanoparticles-using-bismuth-nitrate-and-urea-001521nas a2200241 4500008004100000022001400041245009600055210006900151260007300220300001400293490000700307520065900314653002000973653002700993653001901020100001901039700001601058700001601074700002001090700002001110700002501130856012401155 2005 eng d a0167-577X00aSynthesis of chromium substituted nano particles of cobalt zinc ferrites by coprecipitation0 aSynthesis of chromium substituted nano particles of cobalt zinc  aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcNOV a3402-34050 v593 a

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

10aCo0.5Zn0.5Fe2O410aMossbauer spectroscopy10anano materials1 aSharma, R., K.1 aSuwalka, O.1 aLakshmi, N.1 aVenugopalan, K.1 aBanerjee, Abhik1 aJoy, Pattayil, Alias uhttps://library.ncl.res.in/content/synthesis-chromium-substituted-nano-particles-cobalt-zinc-ferrites-coprecipitation-001625nas a2200241 4500008004100000022001400041245009800055210006900153260006900222300001000291490000700301520079500308653002301103653002501126653001401151653001801165100001901183700001901202700001301221700001501234700001801249856011601267 2005 eng d a0254-058400aSynthesis of fine PbE (E = S, Se) powder from direct in situ reduction of sulphur or selenium0 aSynthesis of fine PbE E S Se powder from direct in situ reductio aPO BOX 564, 1001 LAUSANNE, SWITZERLANDbELSEVIER SCIENCE SAcSEP a91-940 v933 a

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

10aChemical synthesis10aelectronic materials10areduction10aSemiconductor1 aKhanna, P., K.1 aSubbarao, VVVS1 aWagh, M.1 aJadhav, P.1 aPatil, K., R. uhttps://library.ncl.res.in/content/synthesis-fine-pbe-e-s-se-powder-direct-situ-reduction-sulphur-or-selenium-001522nas a2200193 4500008004100000022001400041245015000055210006900205260007300274300001200347490000600359520073500365100002301100700002101123700002401144700001801168700001301186856012901199 2005 eng d a1566-736700aTextural/structural, stability and morphological properties of mesostructured silicas (MCM-41 and MCM-48) prepared using different silica sources0 aTexturalstructural stability and morphological properties of mes aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcMAY a361-3660 v63 a

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

1 aGaydhankar, T., R.1 aTaralkar, U., S.1 aJha, Ratnesh, Kumar1 aJoshi, P., N.1 aKumar, R uhttps://library.ncl.res.in/content/texturalstructural-stability-and-morphological-properties-mesostructured-silicas-mcm-41-002001nas a2200253 4500008004100000022001400041245008300055210006900138260006800207300001200275490000700287520113000294653002201424653001601446653002201462653002101484653001501505100002501520700002001545700002201565700001801587700002501605856011701630 2005 eng d a0021-899500aThermal degradation kinetics of polyesters containing mesogenic aromatic diols0 aThermal degradation kinetics of polyesters containing mesogenic  a111 RIVER ST, HOBOKEN, NJ 07030 USAbJOHN WILEY & SONS INCcAUG a784-7920 v973 a

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

10aActivation energy10aDegradation10akinetics (polym.)10aPolycondensation10apolyesters1 aMule, Smita, Atmaram1 aGhadage, R., S.1 aJacob, Nalini, E.1 aRajan, C., R.1 aPonrathnam, Surendra uhttps://library.ncl.res.in/content/thermal-degradation-kinetics-polyesters-containing-mesogenic-aromatic-diols-001995nas a2200229 4500008004100000022001400041245026000055210006900315260007100384300001400455490000700469520099600476100001201472700001501484700002201499700002001521700001701541700002601558700002801584700002601612856012701638 2005 eng d a0020-166900aUnusual monodentate binding mode of 2,2 `-dipyridylamine (L) in isomeric trans(acac)(2)Ru-II(L)2, trans-[(acac)(2)Ru-III(L)(2)]ClO4, and cis-(acac)(2)Ru-II(L)(2) (acac = acetylacetonate). Synthesis, structures, and spectroscopic, electrochemical, and magn0 aUnusual monodentate binding mode of 22 dipyridylamine L in isome a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcMAR a1571-15790 v443 a

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

1 aKar, S.1 aChanda, N.1 aMobin, Shaikh, M.1 aUrbanos, F., A.1 aNiemeyer, M.1 aPuranik, Vedavati, G.1 aJimenez-Aparicio, Reyes1 aLahiri, Goutam, Kumar uhttps://library.ncl.res.in/content/unusual-monodentate-binding-mode-22-dipyridylamine-l-isomeric-transacac2ru-iil2-trans-101904nas a2200289 4500008004100000022001400041245006600055210006000121260007300181300001000254490000800264520102300272653001501295653001501310653001301325653001301338653001101351653001701362653002201379100001801401700002801419700002201447700001301469700002201482700001801504856009201522 2006 eng d a0927-775700aAdsorption of methanol on Si(100)/SiO(2)and mesoporous SBA-150 aAdsorption of methanol on Si100SiO2and mesoporous SBA15 aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcSEP a51-580 v2873 a

Adsorption of methanol on SiO(100)/SiO2 substrate and mesoporous SBA-15 has been studied by using Fourier transform infrared (FTIR) and X-ray photoelectron spectroscopy (XPS). Contact angle technique is employed to study the adsorption kinetics of methanol on SiO(100)/SiO2 and thermal stability of adlayer. Thermogravimetric (TGA) technique is used to understand the thermal behavior of methanol layer on SBA-15. Adsorption kinetics fit fairly well with Langmuir isotherms giving adsorption rate constant, k(a) = 0.0021 W s(-1). FTIR results show formation of methoxy silicon (SiOCHA silicon polyhydride (SiH2), carboxylate, molecular water and hydroxyl groups on Si(100)/SiO2 surface and only methoxy silicon on SBA-15. XPS results confirm methanol adsorption and support FTIR results. The methanol adlayers are found to be thermally stable up to a temperature of similar to 262 degrees C on both Si(100)/SiO2 and SBA-15 and decompose between 262 and 450 degrees C. (c) 2006 Elsevier B.V. All rights reserved.

10aAdsorption10adesorption10akinetics10aMethanol10aSBA-1510aSi(100)/SiO210athermal stability1 aMirji, S., A.1 aHalligudi, Shivaraj, B.1 aMathew, Nevin, T.1 aRavi, V.1 aJacob, Nalini, E.1 aPatil, K., R. uhttps://library.ncl.res.in/content/adsorption-methanol-si100sio2and-mesoporous-sba-15-001897nas a2200277 4500008004100000022001400041245006400055210006300119260007300182300001400255490000800269520102100277653001501298653000801313653001101321653001801332653002201350100001801372700002801390700002601418700002201444700001801466700002001484700002001504856009501524 2006 eng d a0169-433200aAdsorption of octadecyltrichlorosilane on mesoporous SBA-150 aAdsorption of octadecyltrichlorosilane on mesoporous SBA15 aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcAPR a4097-41030 v2523 a

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

10aAdsorption10aOTS10aSBA-1510aSelf-assembly10athermal stability1 aMirji, S., A.1 aHalligudi, Shivaraj, B.1 aSawant, Dhanashri, P.1 aJacob, Nalini, E.1 aPatil, K., R.1 aGaikwad, A., B.1 aPradhan, S., D. uhttps://library.ncl.res.in/content/adsorption-octadecyltrichlorosilane-mesoporous-sba-15-002290nas a2200217 4500008004100000022001400041245012600055210006900181260007300250300001200323490000700335520143400342653003201776653002701808653002401835653002401859100001601883700002401899700001801923856013101941 2006 eng d a1387-181100aAssembly of hydrothermally stable ethane-bridged periodic mesoporous organosilicas with spherical and wormlike structures0 aAssembly of hydrothermally stable ethanebridged periodic mesopor aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcSEP a364-3700 v943 a

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

10ahybrid mesoporous materials10aHydrothermal stability10aspherical particles10awormlike structures1 aShylesh, S.1 aJha, Ratnesh, Kumar1 aSingh, A., P. uhttps://library.ncl.res.in/content/assembly-hydrothermally-stable-ethane-bridged-periodic-mesoporous-organosilicas-spherical-001952nas a2200241 4500008004100000022001400041245011200055210006900167260009500236300001400331490000600345520104000351653001301391653003201404653002101436653001901457100002001476700002301496700001801519700001901537700003001556856012401586 2006 eng d a1533-488000aAssembly of phase transferred nickel nanoparticles at air-water interface using Langmuir-Blodgett technique0 aAssembly of phase transferred nickel nanoparticles at airwater i a25650 NORTH LEWIS WAY, STEVENSON RANCH, CA 91381-1439 USAbAMER SCIENTIFIC PUBLISHERScDEC a3736-37450 v63 a

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

10aassembly10aLangmuir-Blodgett technique10aNi nanoparticles10aPhase transfer1 aBala, Tanushree1 aJoshi, Bhagyashree1 aIyer, Neelima1 aSastry, Murali1 aPrasad, Bhagavatula L. V. uhttps://library.ncl.res.in/content/assembly-phase-transferred-nickel-nanoparticles-air-water-interface-using-langmuir-000528nas a2200145 4500008004100000245007800041210006900119260000800188300001200196490000700208100002300215700002200238700001800260856010400278 2006 eng d00aBrewster angle microscope - an excellent tool for nanoscience researchers0 aBrewster angle microscope an excellent tool for nanoscience rese cAUG a227-2290 v361 aJoshi, Bhagyashree1 aKhatavkar, Rupali1 aIyer, Neelima uhttps://library.ncl.res.in/content/brewster-angle-microscope-excellent-tool-nanoscience-researchers01393nas a2200205 4500008004100000022001400041245009500055210006900150260006900219300001100288490000800299520063300307653002300940653002300963653002400986653001101010100001801021700002501039856012301064 2006 eng d a0254-058400aCharacterization of nanosized NiZn ferrite powders synthesized by an autocombustion method0 aCharacterization of nanosized NiZn ferrite powders synthesized b aPO BOX 564, 1001 LAUSANNE, SWITZERLANDbELSEVIER SCIENCE SAcNOV a98-1010 v1003 a

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

10aChemical synthesis10aMagnetic materials10amagnetic properties10aOxides1 aDeka, Sasanka1 aJoy, Pattayil, Alias uhttps://library.ncl.res.in/content/characterization-nanosized-nizn-ferrite-powders-synthesized-autocombustion-method-002744nas a2200265 4500008004100000022001400041245012400055210006900179260007300248300001200321490000800333520176200341653001002103653001102113653003802124653002902162653002002191653001902211653003002230100001902260700002102279700001902300700002802319856013102347 2006 eng d a1381-116900aChemoselective anti-Markovnikov hydroamination of alpha,beta-ethylenic compounds with amines using montmorillonite clay0 aChemoselective antiMarkovnikov hydroamination of alphabetaethyle aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcMAY a210-2170 v2503 a

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

10aalpha10aamines10aanti-Markovnikov addition product10abeta-ethylenic compounds10achemo-selective10ahydroamination10aK-10 montmorillonite clay1 aJoseph, Trissa1 aShanbhag, G., V.1 aSawant, D., P.1 aHalligudi, Shivappa, B. uhttps://library.ncl.res.in/content/chemoselective-anti-markovnikov-hydroamination-alphabeta-ethylenic-compounds-amines-using-101904nas a2200241 4500008004100000022001400041245008400055210006900139260007300208300000900281490000700290520107400297653002301371653001601394653001501410653002601425653001301451100002301464700001701487700002201504700001901526856011701545 2006 eng d a1387-181100aClaisen rearrangement of allyl phenyl ether over zeolites beta, mordenite and Y0 aClaisen rearrangement of allyl phenyl ether over zeolites beta m aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcOCT a8-160 v953 a

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

10aallyl phenyl ether10aallylphenol10aBenzofuran10aClaisen rearrangement10azeolites1 aWagholikar, S., G.1 aMayadevi, S.1 aJacob, Nalini, E.1 aSivasanker, S. uhttps://library.ncl.res.in/content/claisen-rearrangement-allyl-phenyl-ether-over-zeolites-beta-mordenite-and-y-001586nas a2200265 4500008004100000022001400041245007600055210006900131260007300200300000900273490000700282520071200289653001501001653002001016653001901036653001601055653002601071653002401097100002101121700001801142700001701160700002101177700001601198856010601214 2006 eng d a1383-586600aComparative assessment of downstream processing options for lactic acid0 aComparative assessment of downstream processing options for lact aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcNOV a1-170 v523 a

The possibility of manufacturing a biodegradable polymer from lactic acid has led to extensive research in recovery of lactic acid produced by fermentation, by different downstream processing routes. This paper assesses the suitability of different downstream processing options such as reactive extraction, adsorption, electrodialysis, esterification and reactive distillation. It compares the costs of different process routes. The assessment indicates that the conventional precipitation of calcium lactate, followed by acidification, esterification and hydrolysis will be the most economical route although it generates large quantity of gypsum sludge. (c) 2006 Elsevier B.V. All rights reserved.

10aAdsorption10aelectrodialysis10aEsterification10aLactic acid10aReactive distillation10areactive extraction1 aJoglekar, H., G.1 aRahman, Imran1 aBabu, Suresh1 aKulkarni, B., D.1 aJoshi, Ajit uhttps://library.ncl.res.in/content/comparative-assessment-downstream-processing-options-lactic-acid-002062nas a2200265 4500008004100000022001400041245021000055210006900265260009500334300001200429490000800441520103600449653000601485653003701491653003301528653001301561653001101574653000901585653000901594653002401603653000901627100002101636700001401657856012501671 2006 eng d a0006-291X00aConformation and microenvironment of the active site of a low molecular weight 1,4-beta-D-glucan glucanohydrolase from an alkalothermophilic thermomonospora sp.: involvement of lysine and cysteine residues0 aConformation and microenvironment of the active site of a low mo a525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USAbACADEMIC PRESS INC ELSEVIER SCIENCEcAUG a428-4320 v3473 a

Conformation and microenvironment at the active site of 1,4-beta-D-glucan glucanohydrolase was probed with fluorescent chemo-affinity labeling using o-phthalaldehyde. OPTA has been known to form a fluorescent isoindole derivative by cross-linking the proximal thiol and amino groups of cysteine and lysine. Modification of lysine of the enzyme by TNBS and of cysteine residue by PHMB abolished the ability of the enzyme to form an isoindole derivative with OPTA. Kinetic analysis of the TNBS and PHMB-modified enzyme suggested the presence of essential lysine and cysteine residues, respectively, at the active site of the enzyme. The substrate protection of the enzyme with carboxymethylcellulose (CMC) confirmed the involvement of lysine and cysteine residues in the active site of the enzyme. Multiple sequence alignment of peptides obtained by tryptic digestion of the enzyme showed cysteine is one of the conserved amino acids corroborating the chemical modification studies. (c) 2006 Elsevier Inc. All rights reserved.

10a110a4-beta-D-glucan glucanohydrolase10aactive site microenvironment10aCysteine10alysine10aOPTA10aPHMB10aThermomonospora sp.10aTNBS1 aJagtap, Sharmili1 aRao, Mala uhttps://library.ncl.res.in/content/conformation-and-microenvironment-active-site-low-molecular-weight-14-beta-d-glucan-003334nas a2200145 4500008004100000245018300041210006900224260000800293300001800301490000800319520271400327100001403041700001703055856011603072 2006 eng d00aControl of molecular structure in the generation of highly luminescent liquid crystalline perylenebisimide derivatives: synthesis, liquid crystalline and photophysical properties0 aControl of molecular structure in the generation of highly lumin cSEP a20937–209470 v1103 a

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

1 aJancy, B.1 aAsha, S., K. uhttps://library.ncl.res.in/content/control-molecular-structure-generation-highly-luminescent-liquid-crystalline01173nas a2200241 4500008004100000022001400041245010700055210006900162260010600231300001400337490000700351520026900358653001500627653000900642653001100651100002500662700001800687700002600705700001900731700002500750700002600775856013000801 2006 eng d a0040-403900aCopper-, ligand- and solvent-free synthesis of ynones by coupling acid chlorides with terminal alkynes0 aCopper ligand and solventfree synthesis of ynones by coupling ac aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcJUL a5527-55300 v473 a

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

10aligandless10aneat10aynones1 aPalimkar, Sanjay, S.1 aKumar, Harish1 aJogdand, Nivrutti, R.1 aDaniel, Thomas1 aLahoti, Rajgopal, J.1 aSrinivasan, Kumar, V. uhttps://library.ncl.res.in/content/copper-ligand-and-solvent-free-synthesis-ynones-coupling-acid-chlorides-terminal-alkynes-001710nas a2200193 4500008004100000022001400041245004600055210004600101260006100147300001200208490000700220520110700227653000901334653002001343653001901363653003001382100002401412856008001436 2006 eng d a0267-083600aCrystallisation in polymer nanocomposites0 aCrystallisation in polymer nanocomposites aHUDSON RD, LEEDS LS9 7DL, ENGLANDbMANEY PUBLISHINGcJUL a797-8060 v223 a

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

10aclay10acrystallisation10aNanocomposites10apolymer matrix composites1 aJog, Jyoti, Prakash uhttps://library.ncl.res.in/content/crystallisation-polymer-nanocomposites-002156nas a2200193 4500008004100000022001400041245009300055210006900148260009900217300001400316490000700330520139800337653001001735653002501745653001901770100002501789700002401814856012401838 2006 eng d a0032-386100aCrystallization and phase transformation kinetics of poly(1-butene)/MWCNT nanocomposites0 aCrystallization and phase transformation kinetics of poly1butene aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLANDbELSEVIER SCI LTDcAUG a6414-64210 v473 a

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

10aMWCNT10aPhase transformation10apoly(1-butene)1 aWanjale, Santosh, D.1 aJog, Jyoti, Prakash uhttps://library.ncl.res.in/content/crystallization-and-phase-transformation-kinetics-poly1-butenemwcnt-nanocomposites-001416nas a2200181 4500008004100000022001400041245017800055210006900233260008100302300001200383490000700395520063200402100001901034700002101053700001201074700001801086856013001104 2006 eng d a1744-309100aCrystallization and preliminary X-ray characterization of a thermostable low-molecular-weight 1,4-beta-D-glucan glucohydrolase from an alkalothermophilic thermomonospora sp.0 aCrystallization and preliminary Xray characterization of a therm a9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLANDbBLACKWELL PUBLISHINGcAPR a385-3870 v623 a

{Cellulases catalyze the hydrolysis of beta-1,4-glycosidic linkages within cellulose, the most abundant organic polymer on earth. The cellulase (TSC; EC 3.2.1.4) from an alkalothermophilic Thermomonospora sp. has a low molecular weight of 14.2 kDa. It is optimally active at 323 K and stable over the wide pH range of 5 - 9. Moreover, it has bifunctional activity against cellulose and xylan polymers. In this study, TSC was purified from the native source and crystallized by the hanging-drop vapour-diffusion method. The crystals belong to the orthorhombic space group P2(1)2(1)2(1), with unit-cell parameters a = 49.9

1 aManikandan, K.1 aJagtap, Sharmili1 aRao, M.1 aRamakumar, S. uhttps://library.ncl.res.in/content/crystallization-and-preliminary-x-ray-characterization-thermostable-low-molecular-weight-002223nas a2200229 4500008004100000022001400041245010700055210006900162260008100231300001400312490000700326520137100333100001401704700001401718700001801732700002201750700002001772700002501792700002001817700003301837856012301870 2006 eng d a0022-372700aEffect of thermal annealing on Fe40Ni38B18Mo4 thin films: modified Herzer model for magnetic evolution0 aEffect of thermal annealing on Fe40Ni38B18Mo4 thin films modifie aTEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLANDbIOP PUBLISHING LTDcMAY a1993-20000 v393 a

Magnetic properties of nano-crystalline soft magnetic alloys have usually been correlated to structural evolution with heat treatment. However, literature reports pertaining to the study of nano-crystalline thin films are less abundant. Thin films of Fe40Ni38B18Mo4 were deposited on glass substrates under a high vacuum of approximate to 10(-6) Torr by employing resistive heating. They were annealed at various temperatures ranging from 373 to 773K based on differential scanning calorimetric studies carried out on the ribbons. The magnetic characteristics were investigated using vibrating sample magnetometry. Morphological characterizations were carried out using atomic force microscopy (AFM), and magnetic force microscopy (MFM) imaging is used to study the domain characteristics. The variation of magnetic properties with thermal annealing is also investigated. From AFM and MFM images it can be inferred that the crystallization temperature of the as-prepared films are lower than their bulk counterparts. Also there is a progressive evolution of coercivity up to 573 K, which is an indication of the lowering of nano-crystallization temperature in thin films. The variation of coercivity with the structural evolution of the thin films with annealing is discussed and a plausible explanation is provided using the modified random anisotropy model.

1 aHysen, T.1 aDeepa, S.1 aSaravanan, S.1 aRamanujan, R., V.1 aAvasthi, D., K.1 aJoy, Pattayil, Alias1 aKulkarni, S., D1 aAnantharaman, Maliemadom, R. uhttps://library.ncl.res.in/content/effect-thermal-annealing-fe40ni38b18mo4-thin-films-modified-herzer-model-magnetic-001114nas a2200229 4500008004100000022001400041245009700055210006900152260010600221300001400327490000700341520025000348653001700598653002400615653001000639100002000649700001700669700002200686700002800708700002300736856012500759 2006 eng d a0040-403900aEfficient deprotection of dithioacetals to carbonyls using Oxone-KBr in aqueous acetonitrile0 aEfficient deprotection of dithioacetals to carbonyls using Oxone aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcNOV a8559-85610 v473 a

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

10adeprotection10adethioacetalization10aOxone1 aDesai, Uday, V.1 aPore, D., M.1 aTamhankar, B., V.1 aJadhav, Sushilkumar, A.1 aWadgaonkar, P., P. uhttps://library.ncl.res.in/content/efficient-deprotection-dithioacetals-carbonyls-using-oxone-kbr-aqueous-acetonitrile-001350nas a2200157 4500008004100000022001400041245008700055210006900142260012500211300002300336490000700359520065900366100002301025700002501048856011901073 2006 eng d a0021-897900aEnhanced magnetostrictive properties of Mn substituted cobalt ferrite Co1.2Fe1.8O40 aEnhanced magnetostrictive properties of Mn substituted cobalt fe aCIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USAbAMER INST PHYSICScAPR aArticle No. 1079010 v993 a

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

1 aBhame, Shekhar, D.1 aJoy, Pattayil, Alias uhttps://library.ncl.res.in/content/enhanced-magnetostrictive-properties-mn-substituted-cobalt-ferrite-co12fe18o4-102118nas a2200217 4500008004100000022001400041245009100055210006900146260008000215300001400295490000700309520130500316100001901621700002201640700001901662700002501681700001801706700002201724700003301746856012101779 2006 eng d a0957-448400aEvidence for intergranular tunnelling in polyaniline passivated alpha-Fe nanoparticles0 aEvidence for intergranular tunnelling in polyaniline passivated  aDIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLANDbIOP PUBLISHING LTDcSEP a4765-47720 v173 a

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

1 aSunny, Vijutha1 aNarayanan, T., N.1 aSajeev, U., S.1 aJoy, Pattayil, Alias1 aKumar, Sakthi1 aYoshida, Yasuhiko1 aAnantharaman, Maliemadom, R. uhttps://library.ncl.res.in/content/evidence-intergranular-tunnelling-polyaniline-passivated-alpha-fe-nanoparticles-000737nas a2200193 4500008004100000022001400041245006300055210006300118260010600181300001600287490000700303653002300310653002200333653002100355653002700376100001900403700002800422856009300450 2006 eng d a0040-402000aEvolution of the stereoselective pinacol coupling reaction0 aEvolution of the stereoselective pinacol coupling reaction aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcDEC a12137-121580 v6210adiastereoselective10aenantioselective.10apinacol coupling10areductive dimerization1 aChatterjee, A.1 aJoshi, Navalkishore, N. uhttps://library.ncl.res.in/content/evolution-stereoselective-pinacol-coupling-reaction-001318nas a2200169 4500008004100000022001400041245016700055210006900222260008300291300002300374490000700397520056300404100001800967700001900985700002501004856011901029 2006 eng d a1098-012100aExperimental comparison of the structural, magnetic, electronic, and optical properties of ferromagnetic and paramagnetic polycrystalline Zn1-xCoxO (x=0,0.05,0.1)0 aExperimental comparison of the structural magnetic electronic an aONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USAbAMERICAN PHYSICAL SOCcJUL aArticle No. 0332010 v743 a

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

1 aDeka, Sasanka1 aPasricha, Renu1 aJoy, Pattayil, Alias uhttps://library.ncl.res.in/content/experimental-comparison-structural-magnetic-electronic-and-optical-properties-101358nas a2200157 4500008004100000022001400041245008400055210006900139260012500208300002300333490000700356520068100363100001801044700002501062856011301087 2006 eng d a0003-695100aFerromagnetism induced by hydrogen in polycrystalline nonmagnetic Zn0.95Co0.05O0 aFerromagnetism induced by hydrogen in polycrystalline nonmagneti aCIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USAbAMER INST PHYSICScJUL aArticle No. 0325080 v893 a

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

1 aDeka, Sasanka1 aJoy, Pattayil, Alias uhttps://library.ncl.res.in/content/ferromagnetism-induced-hydrogen-polycrystalline-nonmagnetic-zn095co005o-101682nas a2200277 4500008004100000022001400041245004800055210004800103260006900151300001400220490000800234520082400242653001901066653002001085653003301105653001401138100002201152700002401174700002301198700002301221700001901244700002001263700002001283700002101303856008001324 2006 eng d a0040-609000aField emission from oriented tin oxide rods0 aField emission from oriented tin oxide rods aPO BOX 564, 1001 LAUSANNE, SWITZERLANDbELSEVIER SCIENCE SAcDEC a1450-14540 v5153 a

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

10afield emission10amicrostructures10ascanning electron microscopy10atin oxide1 aDeshpande, A., C.1 aKoinkar, Pankaj, M.1 aAshtaputre, S., S.1 aMore, Mahendra, A.1 aGosavi, S., W.1 aGodbole, P., D.1 aJoag, Dilip, S.1 aKulkarni, S., K. uhttps://library.ncl.res.in/content/field-emission-oriented-tin-oxide-rods-001479nas a2200217 4500008004100000022001400041245008500055210006900140260008000209300001400289490000700303520067000310100002500980700002401005700002101029700002201050700002301072700002001095700003001115856011601145 2006 eng d a0957-448400aField emission studies of novel ZnO nanostructures in high and low field regions0 aField emission studies of novel ZnO nanostructures in high and l aDIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLANDbIOP PUBLISHING LTDcJUN a2730-27350 v173 a

A study of the field emission characteristics of novel structures of ZnO, namely marigolds, multipods and microbelts, has been carried out in both the close proximity configuration and the conventional field emission microscope. The use of a conventional field emission microscope overcomes the drawback of arc formation at high field values. The nonlinearity in the Fowler - Nordheim ( F - N) plot, a characteristic feature of semiconductors has been observed and explained on the basis of electron emission from both the conduction and the valence bands. The current stability exhibited by these structures is also promising for future device applications.

1 aRamgir, Niranjan, S.1 aLate, Dattatray, J.1 aBhise, Ashok, B.1 aMulla, Imtiaz, S.1 aMore, Mahendra, A.1 aJoag, Dilip, S.1 aPillai, Vijayamohanan, K. uhttps://library.ncl.res.in/content/field-emission-studies-novel-zno-nanostructures-high-and-low-field-regions-002014nas a2200253 4500008004100000022001400041245010500055210006900160260007300229300001200302490000800314520111200322653001501434653002401449653001801473653001901491653001101510100001501521700001701536700001701553700002501570700003301595856013201628 2006 eng d a0304-885300aFinite size effects on the structural and magnetic properties of sol-gel synthesized NiFe2O4 powders0 aFinite size effects on the structural and magnetic properties of aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcJUL a190-1950 v3023 a

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

10agrain size10amagnetic properties10aNanoparticles10aNickel ferrite10astrain1 aGeorge, M.1 aJohn, A., M.1 aNair, S., S.1 aJoy, Pattayil, Alias1 aAnantharaman, Maliemadom, R. uhttps://library.ncl.res.in/content/finite-size-effects-structural-and-magnetic-properties-sol-gel-synthesized-nife2o4-powders-000864nas a2200181 4500008004100000022001400041245007600055210006800131260007100199300001400270490000700284520019800291100002400489700002000513700002400533700002300557856010200580 2006 eng d a0022-326300aFirst enantiospecific synthesis of (-)-parvifoline and (-)-curcuquinone0 aFirst enantiospecific synthesis of parvifoline and curcuquinone a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcNOV a8986-89880 v713 a

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

1 aChavan, Subhash, P.1 aThakkar, Mahesh1 aJogdand, Ganesh, F.1 aKalkote, Uttam, R. uhttps://library.ncl.res.in/content/first-enantiospecific-synthesis-parvifoline-and-curcuquinone-001668nas a2200169 4500008004100000022001400041245009800055210006900153260008300222300002300305490000700328520097000335100002401305700002101329700002301350856012501373 2006 eng d a1539-375500aFlexible ring polymers in an obstacle environment: Molecular theory of linear viscoelasticity0 aFlexible ring polymers in an obstacle environment Molecular theo aONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USAbAMERICAN PHYSICAL SOCcAUG aArticle No. 0218050 v743 a

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

1 aIyer, Balaji, V. S.1 aLele, Ashish, K.1 aJuvekar, Vinay, A. uhttps://library.ncl.res.in/content/flexible-ring-polymers-obstacle-environment-molecular-theory-linear-viscoelasticity-102121nas 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-001407nas a2200169 4500008004100000022001400041245008800055210006900143260008000212300001400292490000700306520074900313100001701062700002601079700002101105856011101126 2006 eng d a0305-447000aImproved time series prediction with a new method for selection of model parameters0 aImproved time series prediction with a new method for selection  aDIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLANDbIOP PUBLISHING LTDcJUL aL483-L4910 v393 a

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

1 aJade, A., M.1 aJayaraman, Valadi, K.1 aKulkarni, B., D. uhttps://library.ncl.res.in/content/improved-time-series-prediction-new-method-selection-model-parameters-002361nas a2200301 4500008004100000022001400041245013200055210006900187260009700256300001400353490000700367520124400374653002201618653004501640653001701685100002201702700001801724700002501742700002501767700002101792700001701813700001501830700001801845700002701863700002201890700001601912856013101928 2006 eng d a0093-381300aIn situ optical emission spectroscopic investigations during arc plasma synthesis of iron oxide nanoparticles by thermal plasma0 aIn situ optical emission spectroscopic investigations during arc a445 HOES LANE, PISCATAWAY, NJ 08855 USAbIEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INCcAUG a1175-11820 v343 a

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

10aplasma arc device10aplasma-materials processing applications10aspectroscopy1 aBanerjee, Indrani1 aJoshi, N., K.1 aSahasrabudhe, S., N.1 aKulkarni, Naveen, V.1 aKarmakar, Soumen1 aPasricha, R.1 aGhorui, S.1 aTak, Atul, K.1 aMurthy, Shri, P. S. S.1 aBhoraskar, S., V.1 aDas, A., K. uhttps://library.ncl.res.in/content/situ-optical-emission-spectroscopic-investigations-during-arc-plasma-synthesis-iron-oxide-001476nas a2200229 4500008004100000022001400041245009200055210006900147260007300216300001200289490000800301520068500309100001900994700001601013700001801029700002001047700001401067700001501081700001601096700001401112856012001126 2006 eng d a0009-261400aInfluence of extended pi-conjugation units on carrier mobilities in conducting polymers0 aInfluence of extended piconjugation units on carrier mobilities  aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcMAR a387-3900 v4203 a

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

1 aHarima, Yutaka1 aKim, D., H.1 aTsutitori, Y.1 aJiang, Xiaoqing1 aPatil, R.1 aOoyama, Y.1 aOhshita, J.1 aKunai, A. uhttps://library.ncl.res.in/content/influence-extended-pi-conjugation-units-carrier-mobilities-conducting-polymers-000666nas a2200133 4500008004100000245013900041210006900180260008500249300001000334100001800344700002200362700002300384856012500407 2006 eng d00aMicroconverter ADuC842 and LabVIEW platform ? a best suitable approach for real time plotting of pressure area isotherm of a monolayer0 aMicroconverter ADuC842 and LabVIEW platform a best suitable appr aMadrid, SpainbWorld Scientific and Engineering Academy and Society (WSEAS)cFEB a70-731 aIyer, Neelima1 aKhatavkar, Rupali1 aJoshi, Bhagyashree uhttps://library.ncl.res.in/content/microconverter-aduc842-and-labview-platform-best-suitable-approach-real-time-plotting02344nas a2200289 4500008004100000022001400041245011300055210006900168260007300237300001200310490000800322520134400330653002101674653002201695653001601717653002401733653001801757100002001775700001701795700001401812700001601826700002101842700002501863700001901888700001801907856012901925 2006 eng d a0304-885300aModifications in magnetic anisotropy of M-type strontium hexaferrite crystals by swift heavy ion irradiation0 aModifications in magnetic anisotropy of Mtype strontium hexaferr aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcOCT a392-4020 v3053 a

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

10aanisotropy field10aCurie temperature10airradiation10aMagnetic anisotropy10aMagnetization1 aKaur, Balwinder1 aBhat, Monita1 aLicci, F.1 aKumar, Ravi1 aKulkarni, S., D.1 aJoy, Pattayil, Alias1 aBamzai, K., K.1 aKotru, P., N. uhttps://library.ncl.res.in/content/modifications-magnetic-anisotropy-m-type-strontium-hexaferrite-crystals-swift-heavy-ion-002851nas a2200157 4500008004100000245009400041210006900135260000800204300001000212490000800222520227200230100002102502700002502523700002602548856011902574 2006 eng d00aMorphological mutants of gibberella fujikuroi for enhanced production of gibberellic acid0 aMorphological mutants of gibberella fujikuroi for enhanced produ cJAN a65-720 v1003 a

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

1 aLale, Geetanjali1 aJogdand, Vitthal, V.1 aGadre, Ramchandra, V. uhttps://library.ncl.res.in/content/morphological-mutants-gibberella-fujikuroi-enhanced-production-gibberellic-acid01277nas a2200241 4500008004100000022001400041245012000055210006900175260008900244300001200333490000700345520039200352653001200744653001700756653001300773653002400786653002200810100002100832700001500853700001900868700001600887856013200903 2006 eng d a0376-469900aNatural kaolinitic clay: a remarkable catalyst for highly regioselective chlorination of arenes with Cl-2 or SO2Cl20 aNatural kaolinitic clay a remarkable catalyst for highly regiose aDR K S KRISHNAN MARG, NEW DELHI 110 012, INDIAbNATL INST SCIENCE COMMUNICATIONcAPR a972-9750 v453 a

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

10aAniline10achlorination10achlorine10aortho-chloroaniline10asulfuryl chloride1 aJayachandran, B.1 aPhukan, P.1 aDaniel, Thomas1 aSudalai, A. uhttps://library.ncl.res.in/content/natural-kaolinitic-clay-remarkable-catalyst-highly-regioselective-chlorination-arenes-cl-2-001519nas a2200193 4500008004100000022001400041245012000055210006900175260008000244300001400324490000700338520073200345100001801077700002001095700002501115700002201140700003301162856013001195 2006 eng d a0957-448400aOptically transparent magnetic nanocomposites based on encapsulated Fe3O4 nanoparticles in a sol-gel silica network0 aOptically transparent magnetic nanocomposites based on encapsula aDIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLANDbIOP PUBLISHING LTDcNOV a5565-55720 v173 a

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

1 aThomas, Senoy1 aSakthikumar, D.1 aJoy, Pattayil, Alias1 aYoshida, Yasuhiko1 aAnantharaman, Maliemadom, R. uhttps://library.ncl.res.in/content/optically-transparent-magnetic-nanocomposites-based-encapsulated-fe3o4-nanoparticles-sol-002006nas a2200205 4500008004100000022001400041245006900055210006900124260007300193300001000266490000700276520129000283653002201573653001701595653002701612653001901639100001901658700002001677856010301697 2006 eng d a0169-131700aOxidation of aniline over titania pillared montmorillonite clays0 aOxidation of aniline over titania pillared montmorillonite clays aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcJUL a89-980 v333 a

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

10aaniline oxidation10aAzoxybenzene10ahydrothermal treatment10apillared clays1 aJagtap, Neelam1 aRamaswamy, Veda uhttps://library.ncl.res.in/content/oxidation-aniline-over-titania-pillared-montmorillonite-clays-002025nas a2200229 4500008004100000022001400041245016600055210006900221260007300290300001200363490000700375520113600382653002101518653001801539653001101557653001401568100002401582700001601606700002601622700001801648856012901666 2006 eng d a1387-181100aOxidation of ethyl benzene and diphenyl methane over ordered mesoporous M-MCM-41 (M = Ti, V, Cr): synthesis, characterization and structure-activity correlations0 aOxidation of ethyl benzene and diphenyl methane over ordered mes aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcOCT a154-1630 v953 a

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

10adiphenyl methane10aEthyl benzene10aMCM-4110aOxidation1 aJha, Ratnesh, Kumar1 aShylesh, S.1 aBhoware, Shrikant, S.1 aSingh, A., P. uhttps://library.ncl.res.in/content/oxidation-ethyl-benzene-and-diphenyl-methane-over-ordered-mesoporous-m-mcm-41-m-ti-v-cr-001085nas a2200205 4500008004100000022001400041245011600055210006900171260006600240300001200306490000700318520029200325100002700617700002200644700002200666700001900688700002200707700002200729856012800751 2006 eng d a0022-152X00aPictet-Spengler cyclization in room temperature ionic liquid: a convenient access to tetrahydro beta-carbolines0 aPictetSpengler cyclization in room temperature ionic liquid a co aPO BOX 170, PROVO, UT 84603-0170 USAbHETERO CORPORATIONcMAY a767-7720 v433 a

1,2,3,4-Tetrahydro-beta-carbolines have been synthesized in moderate to good yields in short reaction time using the ionic liquid [bbim] BF4 as reaction medium and promoter. There was no need for the use of an additional catalyst normally employed in Pictet-Spengler condensation.

1 aMuthukrishnan, Murugan1 aMore, Shivaji, V.1 aGarud, Dinesh, R.1 aRamana, C., V.1 aJoshi, Rohini, R.1 aJoshi, Ramesh, A. uhttps://library.ncl.res.in/content/pictet-spengler-cyclization-room-temperature-ionic-liquid-convenient-access-tetrahydro-102371nas a2200253 4500008004100000022001400041245012300055210006900178260007400247300001200321490000600333520142500339653002301764653001601787653002101803653002401824653001801848653002901866100002501895700002401920700002301944700001901967856013101986 2006 eng d a1388-076400aRole of ligands in the formation, phase stabilization, structural and magnetic properties of alpha-Fe2O3 nanoparticles0 aRole of ligands in the formation phase stabilization structural  aVAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDSbSPRINGERcOCT a635-6430 v83 a

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

10aAlkyl chain length10aalpha-Fe2O310aElectrochemistry10amagnetic properties10aNanoparticles10anarrow size distribution1 aJoshi, Satyawati, S.1 aPatil, Prajakta, R.1 aNimase, Madhav, S.1 aBakare, P., P. uhttps://library.ncl.res.in/content/role-ligands-formation-phase-stabilization-structural-and-magnetic-properties-alpha-fe2o3-002169nas a2200253 4500008004100000022001400041245008600055210006900141260006900210300001200279490000700291520130700298653001901605653002101624653002301645653001201668100002201680700001901702700002001721700001801741700001701759700002201776856011701798 2006 eng d a0254-058400aRoom temperature synthesis of mesoporous aggregates of anatase TiO2 nanoparticles0 aRoom temperature synthesis of mesoporous aggregates of anatase T aPO BOX 564, 1001 LAUSANNE, SWITZERLANDbELSEVIER SCIENCE SAcJUN a207-2120 v973 a

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

10aMicrostructure10aporous materials10asol-gel processing10atitania1 aDeshpande, S., B.1 aPotdar, H., S.1 aKhollam, Y., B.1 aPatil, K., R.1 aPasricha, R.1 aJacob, Nalini, E. uhttps://library.ncl.res.in/content/room-temperature-synthesis-mesoporous-aggregates-anatase-tio2-nanoparticles-002285nas a2200241 4500008004100000022001400041245011700055210006900172260007300241300001200314490000800326520138900334653003601723653001501759653001201774653002301786100002001809700002201829700002201851700001801873700002801891856012401919 2006 eng d a1381-116900aShape selective synthesis of long-chain linear alkyl benzene (LAB) with AIMCM-41/beta zeolite composite catalyst0 aShape selective synthesis of longchain linear alkyl benzene LAB  aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcJUL a239-2440 v2533 a

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

10aAIMCM-41/beta zeolite composite10aAlkylation10aBenzene10along-chain olefins1 aBordoloi, Ankur1 aDevassy, Biju, M.1 aNiphadkar, P., S.1 aJoshi, P., N.1 aHalligudi, Shivaraj, B. uhttps://library.ncl.res.in/content/shape-selective-synthesis-long-chain-linear-alkyl-benzene-lab-aimcm-41beta-zeolite-001474nas a2200241 4500008004100000022001400041245008600055210006900141260007300210300001200283490000800295520063300303653002400936653001400960653001800974653002300992653000801015100001801023700001801041700002501059700002801084856012001112 2006 eng d a0304-885300aSize-dependent magnetic properties of nanocrystalline yttrium iron garnet powders0 aSizedependent magnetic properties of nanocrystalline yttrium iro aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcJUN a212-2190 v3013 a

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

10aanisotropy constant10aMagnetism10aNanoparticles10aSuperparamagnetism10aYIG1 aRajendran, M.1 aDeka, Sasanka1 aJoy, Pattayil, Alias1 aBhattacharya, Asish, K. uhttps://library.ncl.res.in/content/size-dependent-magnetic-properties-nanocrystalline-yttrium-iron-garnet-powders-000819nas a2200205 4500008004100000022001400041245011600055210006900171260007900240300001300319490000800332100002000340700001800360700002600378700002400404700002100428700001500449700002200464856012700486 2006 eng d a0065-772700aSurface characterization of diblock copolymers containing poly(ethylene oxide) and various hydrophobic moieties0 aSurface characterization of diblock copolymers containing polyet a1155 16th ST, NW, Washington, DC 20036 USAbAmerican-Chemical-SocietycMAR a326-COLL0 v2311 aLogan, Jennifer1 aMarcano, Kyle1 aPalaskar, Dnyaneshwar1 aWadgaonkar, Prakash1 aJost, Robert, W.1 aWudl, Fred1 aBaker, Shenda, M. uhttps://library.ncl.res.in/content/surface-characterization-diblock-copolymers-containing-polyethylene-oxide-and-various-001005nas a2200157 4500008004100000022001400041245006100055210005900116260010600175300001400281490000700295520039600302100002600698700002800724856009500752 2006 eng d a0957-416600aSyntheses and applications of C-2-symmetric chiral diols0 aSyntheses and applications of C2symmetric chiral diols aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcAUG a1901-19290 v173 a

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

1 aBhowmick, Kartick, C.1 aJoshi, Navalkishore, N. uhttps://library.ncl.res.in/content/syntheses-and-applications-c-2-symmetric-chiral-diols-002176nas a2200253 4500008004100000022001400041245009300055210006900148260006700217300001400284490000800298520119700306653005201503653004401555653002301599653003001622653003701652653001401689100002801703700002401731700002301755700001901778856012501797 2006 eng d a0021-899500aSynthesis and characterization of cholesteric thermotropic liquid crystalline polyesters0 aSynthesis and characterization of cholesteric thermotropic liqui a111 RIVER ST, HOBOKEN 07030-5774, NJ USAbWILEY-BLACKWELLcJAN a1232-12370 v1033 a

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

10acholesteric liquid crystalline polymers (ChLCP)10aDifferential scanning calorimetry (DSC)10aoptical microscopy10asolution polycondensation10aThermogravimetric analysis (TGA)10aviscosity1 aJadhav, Sushilkumar, A.1 aChougule, Rahul, R.1 aShinde, Yogesh, A.1 aChavan, Nayaku uhttps://library.ncl.res.in/content/synthesis-and-characterization-cholesteric-thermotropic-liquid-crystalline-polyesters02429nas a2200277 4500008004100000022001400041245022800055210006900283260006800352300001400420490000700434520132000441653001401761653001801775653002301793653001501816653001801831653003601849653002301885100001801908700002501926700002101951700002801972700002302000856012802023 2006 eng d a0887-624X00aSynthesis, characterization, and molecular modeling studies of novel polyurethanes based on 2,2 '-[ethane-1,2-diylbis(nitrilomethylylidene)]diphenol and 2,2 '-[hexane-1,6-diylbis(nitrilomethylylidene)]diphenol hard segments0 aSynthesis characterization and molecular modeling studies of nov a111 RIVER ST, HOBOKEN, NJ 07030 USAbJOHN WILEY & SONS INCcOCT a6032-60460 v443 a

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

10aamorphous10ahard segments10amolecular dynamics10aMorphology10apolyurethanes10aSchiff base containing polymers10aThermal properties1 aRaghu, A., V.1 aGadaginamath, G., S.1 aJawalkar, S., S.1 aHalligudi, Shivaraj, B.1 aAminabhavi, T., A. uhttps://library.ncl.res.in/content/synthesis-characterization-and-molecular-modeling-studies-novel-polyurethanes-based-22-101026nas a2200265 4500008004100000022001400041245011800055210006900173260009800242300001200340490000800352653001600360653001700376653003600393653003900429100001700468700001800485700002000503700002000523700002600543700001800569700002100587700002200608856013000630 2006 eng d a0268-257500aSynthesis, characterization, X-ray structure and DNA photocleavage by cis-dichloro bis(diimine) Co(III) complexes0 aSynthesis characterization Xray structure and DNA photocleavage  aTHE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLANDbJOHN WILEY & SONS LTDcMAR a331-3430 v10010aAcetic acid10aacrylic acid10aoxidative conversion of propane10arare earth-doped Mo-V-Sb catalysts1 aGhosh, Smita1 aBarve, A., C.1 aKumbhar, A., A.1 aKumbhar, A., S.1 aPuranik, Vedavati, G.1 aDatar, P., A.1 aSonawane, U., B.1 aJoshi, Rohini, R. uhttps://library.ncl.res.in/content/synthesis-characterization-x-ray-structure-and-dna-photocleavage-cis-dichloro-bisdiimine-101256nas a2200157 4500008004100000022001400041245008300055210006900138260012500207300001100332490000800343520059600351100002300947700002500970856010300995 2006 eng d a0021-897900aTuning of the magnetostrictive properties of CoFe2O4 by Mn substitution for Co0 aTuning of the magnetostrictive properties of CoFe2O4 by Mn subst aCIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USAbAMER INST PHYSICScDEC a1139110 v1003 a

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

1 aBhame, Shekhar, D.1 aJoy, Pattayil, Alias uhttps://library.ncl.res.in/content/tuning-magnetostrictive-properties-cofe2o4-mn-substitution-co-101688nas a2200205 4500008004100000022001400041245010200055210006900157260008600226300001400312490000700326520092100333653001501254653001001269653001901279653001701298100002501315700002401340856011801364 2006 eng d a0022-234800aViscoelastic and dielectric behavior of poly(1-butene)/multiwalled carbon nanotube nanocomposites0 aViscoelastic and dielectric behavior of poly1butenemultiwalled c a325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USAbTAYLOR & FRANCIS INCcNOV a1053-10640 v453 a

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

10aDielectric10aMWCNT10apoly(1-butene)10aviscoelastic1 aWanjale, Santosh, D.1 aJog, Jyoti, Prakash uhttps://library.ncl.res.in/content/viscoelastic-and-dielectric-behavior-poly1-butenemultiwalled-carbon-nanotube-001822nas a2200217 4500008004100000022001400041245010200055210006900157260007100226300001600297490000800313520099800321100002501319700002401344700002101368700002301389700002201412700002001434700002201454856012801476 2006 eng d a1520-610600aZnO multipods, submicron wires, and spherical structures and their unique field emission behavior0 aZnO multipods submicron wires and spherical structures and their a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcSEP a18236-182420 v1103 a

A simple method of vapor deposition for the shape selective synthesis of ZnO structures, namely, multipods, submicron wires, and spheres, has been successfully demonstrated. A plausible growth mechanism based on the studies of scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray diffraction (XRD), and X-ray photoelectron spectroscopy (XPS) is proposed. Our studies suggest that the growth of a multipod structure is governed by the screw dislocation propagation while the vapor-liquid-solid (VLS) mechanism is responsible for the formation of submicron wires and spheres. Moreover, the flow rate of the carrier gas plays a crucial role in governing the morphology. Further, these structures exhibit an enhanced field emission behavior. The nonlinearity in the Fowler-Nordheim (F-N) plot, a characteristic feature of electron emission from semiconductors, is explained by considering the contributions from both the conduction and the valence bands of ZnO.

1 aRamgir, Niranjan, S.1 aLate, Dattatray, J.1 aBhise, Ashok, B.1 aMore, Mahendra, A.1 aMulla, Imtiaz, S.1 aJoag, Dilip, S.1 aVijayamohanan, K. uhttps://library.ncl.res.in/content/zno-multipods-submicron-wires-and-spherical-structures-and-their-unique-field-emission-001827nas a2200277 4500008004100000022001400041245004800055210004700103260007300150300001000223490000700233520100400240653001501244653002401259653001301283653001101296653001301307653002201320100001801342700002801360700002201388700002201410700001801432700002001450856007901470 2007 eng d a0167-577X00aAdsorption of methanol on mesoporous SBA-150 aAdsorption of methanol on mesoporous SBA15 aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcJAN a88-920 v613 a

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

10aAdsorption10aElectron microscopy10aMethanol10aSBA-1510aSurfaces10athermal stability1 aMirji, S., A.1 aHalligudi, Shivaraj, B.1 aMathew, Nevin, T.1 aJacob, Nalini, E.1 aPatil, K., R.1 aGaikwad, A., B. uhttps://library.ncl.res.in/content/adsorption-methanol-mesoporous-sba-15-002270nas a2200241 4500008004100000022001400041245010000055210006900155260007300224300001200297490000800309520138900317653001901706653001901725653001701744653001601761653002701777100002201804700002501826700002201851700002401873856013101897 2007 eng d a0376-738800aAssessing feasibility of polyarylate-clay nanocomposites towards improvement of gas selectivity0 aAssessing feasibility of polyarylateclay nanocomposites towards  aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcDEC a277-2860 v3063 a

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

10aGas permeation10aNanocomposites10apolyarylates10aselectivity10asolution intercalation1 aBhole, Yogesh, S.1 aWanjale, Santosh, D.1 aKharul, Ulhas, K.1 aJog, Jyoti, Prakash uhttps://library.ncl.res.in/content/assessing-feasibility-polyarylate-clay-nanocomposites-towards-improvement-gas-selectivity-001534nas a2200217 4500008004100000022001400041245010400055210006900159260007300228300001200301490000600313520069500319653003201014653002401046653002801070100001901098700001701117700002201134700002801156856013201184 2007 eng d a1566-736700aAu-Pt nanoparticles in amine functionalized MCM-41: catalytic evaluation in hydrogenation reactions0 aAuPt nanoparticles in amine functionalized MCM41 catalytic evalu aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcMAR a629-6340 v83 a

Nano-sized Au-Pt nanoparticles (Au-Pt-bi-MNPs) have been synthesized by the simultaneous reduction of HAuCl4 and HPtCl6 by NaBH4 inside the channels of amine functionalized Si-MCM-41 (NH2-Si-MCM-41) at ambient conditions. These materials were characterized using chemical analysis, UV-vis, XPS, XRD, FT-IR, Surface area and TEM analysis. The size of these alloyed nanoparticles (bi-MNPs) were found in the range of 2-4 nm. These nanoparticles were evaluated to study their catalytic activities towards hydrogenation of aromatic nitro compounds. The catalytic activity of the Au-Pt bi-MNPs was found to be superior to monometallic An nanoparticles. (c) 2006 Published by Elsevier B.V.

10aamine-functionalized MCM-4110aAu-Pt nanoparticles10aCatalytic hydrogenation1 aJoseph, Trissa1 aKumar, Vijay1 aRamaswamy, A., V.1 aHalligudi, Shivaraj, B. uhttps://library.ncl.res.in/content/au-pt-nanoparticles-amine-functionalized-mcm-41-catalytic-evaluation-hydrogenation-reactions02039nas a2200253 4500008004100000022001400041245013200055210006900187260007300256300001200329490000900341520110500350653002701455653001901482653001901501653001901520653001101539100002601550700001301576700001901589700001801608700002801626856013101654 2007 eng d a1381-116900aCatalytic performances of silicotungstic acid/zirconia supported SBA-15 in an esterification of benzyl alcohol with acetic acid0 aCatalytic performances of silicotungstic acidzirconia supported  aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcOCT a150-1570 v276 3 a

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

10a12-silicotungstic acid10aBenzyl acetate10aBenzyl alcohol10aEsterification10aSBA-151 aSawant, Dhanashri, P.1 aVinu, A.1 aJustus, Josena1 aSrinivasu, P.1 aHalligudi, Shivaraj, B. uhttps://library.ncl.res.in/content/catalytic-performances-silicotungstic-acidzirconia-supported-sba-15-esterification-benzyl-001324nas a2200169 4500008004100000022001400041245013200055210006900187260007100256300001400327490000800341520061200349100002300961700001900984700002101003856013001024 2007 eng d a1932-744700aCephalexin-mediated synthesis of quasi-spherical and anisotropic gold nanoparticles and their in situ capping by the antibiotic0 aCephalexinmediated synthesis of quasispherical and anisotropic g a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcMAY a6933-69380 v1113 a

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

1 aJagannathan, Ramya1 aPoddar, Pankaj1 aPrabhune, Asmita uhttps://library.ncl.res.in/content/cephalexin-mediated-synthesis-quasi-spherical-and-anisotropic-gold-nanoparticles-and-their01447nas a2200229 4500008004100000022001400041245013100055210006900186260007500255300001000330490000800340520053700348653002200885653003000907653003100937653002500968653002000993100002401013700002601037700002301063856013101086 2007 eng d a0936-521400aCO2 reforming of methane to syngas over highly active and stable supported CoOx (accompanied with MgO, ZrO2 or CeO2) catalysts0 aCO2 reforming of methane to syngas over highly active and stable aRUDIGERSTR 14, D-70469 STUTTGART, GERMANYbGEORG THIEME VERLAG KGcJAN a47-520 v3163 a

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

10aarylboronic acids10adiarylmethylidenefluorene10adibromomethylidenefluorene10aPd-mediated coupling10aSuzuki reaction1 aMondal, Kartick, C.1 aChoudhary, Vasant, R.1 aJoshi, Upendra, A. uhttps://library.ncl.res.in/content/co2-reforming-methane-syngas-over-highly-active-and-stable-supported-coox-accompanied-mgo-001127nas a2200229 4500008004100000022001400041245010800055210006900163260010600232300001400338490000700352520023900359653001800598653001400616653003400630653001500664100002700679700002200706700002200728700002200750856012500772 2007 eng d a0040-402000aConcise synthesis of beta-blockers (S)-metoprolol and (S)-betaxolol using hydrolytic kinetic resolution0 aConcise synthesis of betablockers Smetoprolol and Sbetaxolol usi aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcFEB a1872-18760 v633 a

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

10abeta-blockers10abetaxolol10aHydrolytic kinetic resolution10ametoprolol1 aMuthukrishnan, Murugan1 aGarud, Dinesh, R.1 aJoshi, Rohini, R.1 aJoshi, Ramesh, A. uhttps://library.ncl.res.in/content/concise-synthesis-beta-blockers-s-metoprolol-and-s-betaxolol-using-hydrolytic-kinetic00762nas a2200181 4500008004100000022001400041245012100055210006900176260007100245300001400316490000700330100002600337700001600363700002000379700002700399700002300426856013100449 2007 eng d a0897-475600aControlled covalent functionalization of multiwalled carbon nanotubes using [4+2] cycloaddition of benzocyclobutenes0 aControlled covalent functionalization of multiwalled carbon nano a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcDEC a6370-63720 v191 aSakellariou, Georgios1 aJi, Haining1 aMays, Jimmy, W.1 aHadjichristidis, Nikos1 aBaskaran, Durairaj uhttps://library.ncl.res.in/content/controlled-covalent-functionalization-multiwalled-carbon-nanotubes-using-42-cycloaddition-002108nas a2200277 4500008004100000022001400041245013500055210006900190260009500259300001200354490000800366520111500374653001301489653001301502653001101515653001001526653002001536653001801556653001901574653001701593653001501610100002701625700001901652700002801671856013101699 2007 eng d a0021-951700aCopper(II) ion exchanged A1SBA-15: a versatile catalyst for intermolecular hydroamination of terminal alkynes with aromatic amines0 aCopperII ion exchanged A1SBA15 a versatile catalyst for intermol a525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USAbACADEMIC PRESS INC ELSEVIER SCIENCEcSEP a274-2820 v2503 a

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

10aA1SBA-1510aaddition10aalkyne10aAmine10aCopper catalyst10aheterogeneous10ahydroamination10aion exchange10aMesoporous1 aShanbhag, Ganapati, V.1 aJoseph, Trissa1 aHalligudi, Shivaraj, B. uhttps://library.ncl.res.in/content/copperii-ion-exchanged-a1sba-15-versatile-catalyst-intermolecular-hydroamination-terminal-001333nas a2200253 4500008004100000022001400041245004900055210004900104260007300153300001400226490000700240520056500247653002300812653002400835653002500859653001100884653001800895100001500913700002000928700001900948700001800967700001300985856008100998 2007 eng d a0167-577X00aCoprecipitation technique to prepare NiNb2O60 aCoprecipitation technique to prepare NiNb2O6 aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcMAY a2354-23550 v613 a

A mixture of ammonium carbonate and ammonium hydroxide was used to coprecipitate nickel and niobium ions as nickel carbonate and niobium hydroxide under basic conditions. This precursor yielded NiNb2O6 (NN) ceramics on calcining at 700 degrees C (at a temperature lower than 800 degrees C which is necessary for the formation of NiNb2O6 when prepared by the traditional solid state method). The average particle size and morphology of these powders were investigated by transmission electron microscope (TEM). (c) 2006 Elsevier B.V. All rights reserved.

10aChemical synthesis10aElectron microscopy10aelectronic materials10aOxides10aX-ray methods1 aSamuel, V.1 aGaikwad, A., B.1 aJadhav, A., D.1 aNatarajan, N.1 aRavi, V. uhttps://library.ncl.res.in/content/coprecipitation-technique-prepare-ninb2o601522nas a2200229 4500008004100000022001400041245013300055210006900188260010600257300001400363490000700377520063200384653001701016653001601033653001501049653002601064100001901090700002001109700001701129700002001146856012601166 2007 eng d a0013-468600aCorrelation between mobility enhancement and conformational change in polyaniline and its derivatives: polaron lattice formation0 aCorrelation between mobility enhancement and conformational chan aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcMAR a3615-36200 v523 a

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

10aConformation10apolyaniline10areflection10ascattering : mobility1 aHarima, Yutaka1 aOgawa, Fumiyuki1 aPatil, Rahul1 aJiang, Xiaoqing uhttps://library.ncl.res.in/content/correlation-between-mobility-enhancement-and-conformational-change-polyaniline-and-its01846nas a2200181 4500008004100000022001400041245007400055210006900129260007100198300001400269490000700283520116700290100002201457700002701479700002601506700002601532856010601558 2007 eng d a0888-588500aData-driven dynamic modeling and control of a surface aeration system0 aDatadriven dynamic modeling and control of a surface aeration sy a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcDEC a8607-86130 v463 a

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

1 aGandhi, Ankit, B.1 aJoshi, Jyeshtharaj, B.1 aJayaraman, Valadi, K.1 aKulkarni, Bhaskar, D. uhttps://library.ncl.res.in/content/data-driven-dynamic-modeling-and-control-surface-aeration-system-002597nas a2200229 4500008004100000022001400041245017300055210006900228260007300297300001000370490000800380520164400388653002602032653005202058653002202110653002602132653001302158100002602171700002202197700001802219856013002237 2007 eng d a0926-860X00aDecomposition and/or hydrogenation of hydrogen peroxide over Pd/Al2O3 catalyst in aqueous medium: factors affecting the rate of H2O2 destruction in presence of hydrogen0 aDecomposition andor hydrogenation of hydrogen peroxide over PdAl aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcNOV a70-780 v3323 a

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

10adecomposition of H2O210ahalide anions as catalyst promoter or indicator10aHydrogen peroxide10ahydrogenation of H2O210aPd/Al2O31 aChoudhary, Vasant, R.1 aSamanta, Chanchal1 aJana, Prabhas uhttps://library.ncl.res.in/content/decomposition-andor-hydrogenation-hydrogen-peroxide-over-pdal2o3-catalyst-aqueous-medium-001474nas a2200217 4500008004100000022001400041245010800055210006900163260009500232300001200327490000700339520063300346653002300979653002701002653001601029653003001045100001301075700001501088700002101103856013201124 2007 eng d a0263-876200aDevelopment of a soft sensor for a batch distillation column using support vector regression techniques0 aDevelopment of a soft sensor for a batch distillation column usi a165-189 RAILWAY TERRACE, DAVIS BLDG, RUGBY CV21 3HQ, ENGLANDbINST CHEMICAL ENGINEERScFEB a283-2870 v853 a

A support vector regression (SVR)-based model is developed for a batch distillation process in order to estimate the product compositions from temperature measurements. Kernel function such as linear, polynomial and RBF are employed for SVR modelling. The original process data was generated by simulating the batch distillation process, varying the initial feed composition and boilup rate from batch to batch. Within each batch reflux ratio was also randomly changed to represent the true dynamics of the batch distillation. The results show the potential of the method for developing softsensor for chemical processes.

10aBatch distillation10acomposition estimation10asoft sensor10asupport vector regression1 aJain, P.1 aRahman, I.1 aKulkarni, B., D. uhttps://library.ncl.res.in/content/development-soft-sensor-batch-distillation-column-using-support-vector-regression-techniques02628nas a2200217 4500008004100000022001400041245016400055210006900219260010600288300001400394490000700408520168500415653002602100653002402126653003002150100002202180700002702202700002602229700002602255856012902281 2007 eng d a0009-250900aDevelopment of support vector regression (SVR)-based correlation for prediction of overall gas hold-up in bubble column reactors for various gas-liquid systems0 aDevelopment of support vector regression SVRbased correlation fo aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcDEC a7078-70890 v623 a

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

10abubble column reactor10aoverall gas hold-up10asupport vector regression1 aGandhi, Ankit, B.1 aJoshi, Jyeshtharaj, B.1 aJayaraman, Valadi, K.1 aKulkarni, Bhaskar, D. uhttps://library.ncl.res.in/content/development-support-vector-regression-svr-based-correlation-prediction-overall-gas-hold-001322nas a2200217 4500008004100000022001400041245009700055210006900152260010600221300001200327490000800339520049000347653002700837653002400864653001700888100001600905700001900921700001700940700002500957856012200982 2007 eng d a0038-109800aDirect comparison of the aging and memory effects of magnetic nanoclusters and nanoparticles0 aDirect comparison of the aging and memory effects of magnetic na aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcFEB a307-3100 v1413 a

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

10aMagnetic nanoparticles10amagnetic properties10aspin glasses1 aSankar, Raj1 aVijayanand, S.1 aVerma, Seema1 aJoy, Pattayil, Alias uhttps://library.ncl.res.in/content/direct-comparison-aging-and-memory-effects-magnetic-nanoclusters-and-nanoparticles02462nas a2200205 4500008004100000022001400041245025900055210006900314260007300383300001000456490000800466520149200474653003101966653002201997653002902019653003402048100002602082700001802108856013002126 2007 eng d a0926-860X00aDirect oxidation of H-2 to H2O2 over Br and F-promoted Pd/Al2O3 in aqueous acidic medium: influence of the concentration of Br and F and the method of incorporation of the two halogens in the catalyst on their beneficial synergetic effect on the net H2O20 aDirect oxidation of H2 to H2O2 over Br and Fpromoted PdAl2O3 in  aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcOCT a79-850 v3293 a

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

10aF and Br-promoted Pd/Al2O310aHydrogen peroxide10aoxidation of H-2-to-H2O210asynergetic effect of F and Br1 aChoudhary, Vasant, R.1 aJana, Prabhas uhttps://library.ncl.res.in/content/direct-oxidation-h-2-h2o2-over-br-and-f-promoted-pdal2o3-aqueous-acidic-medium-influence-002768nas a2200181 4500008004100000022001400041245020800055210006900263260007100332300001400403490000700417520194400424100002602368700002302394700002202417700001802439856012902457 2007 eng d a0888-588500aDirect oxidation of hydrogen to hydrogen peroxide over Pd (or PdO)/Al2O3 in aqueous reaction medium: influence of different acids and halide anions in reaction medium on formation and destruction of H2O20 aDirect oxidation of hydrogen to hydrogen peroxide over Pd or PdO a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcDEC a8566-85730 v463 a

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

1 aChoudhary, Vasant, R.1 aIngole, Yugesh, V.1 aSamanta, Chanchal1 aJana, Prabhas uhttps://library.ncl.res.in/content/direct-oxidation-hydrogen-hydrogen-peroxide-over-pd-or-pdoal2o3-aqueous-reaction-medium-002293nas a2200193 4500008004100000022001400041245009100055210006900146260007100215300001400286490000700300520158200307100002101889700002701910700001801937700001601955700002101971856010701992 2007 eng d a0888-588500aEffect of sparger design on the flow in a bubble column: symbolic analysis of LDA data0 aEffect of sparger design on the flow in a bubble column symbolic a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcMAY a2996-30070 v463 a

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

1 aKulkarni, A., A.1 aDeshpande, Suvarna, S.1 aJoshi, J., B.1 aKumar, Ravi1 aKulkarni, B., D. uhttps://library.ncl.res.in/content/effect-sparger-design-flow-bubble-column-symbolic-analysis-lda-data01037nas a2200253 4500008004100000022001400041245006800055210006500123260007300188300001000261490000600271520019600277653001100473653001700484653002300501653002700524653001600551100002200567700002200589700002300611700002500634700002700659856009700686 2007 eng d a1566-736700aEfficient N-arylation of amines catalyzed by Cu-Fe-hydrotalcite0 aEfficient Narylation of amines catalyzed by CuFehydrotalcite aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcJAN a65-680 v83 a

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

10aamines10aAryl halides10aCu-Fe-hydrotalcite10aheterogeneous catalyst10aN-arylation1 aJadhav, Vinod, H.1 aDumbre, Deepa, K.1 aPhapale, Vilas, B.1 aBorate, Hanumant, B.1 aWakharkar, Radhika, D. uhttps://library.ncl.res.in/content/efficient-n-arylation-amines-catalyzed-cu-fe-hydrotalcite02226nas a2200241 4500008004100000022001400041245013800055210006900193260007300262300001000335490000600345520129000351653002601641653003201667653003201699653002001731653001801751100001801769700003001787700002101817700002101838856012501859 2007 eng d a1567-173900aElectrochromic device (ECD) cell characterization on electron beam evaporated MoO3 films by intercalating/deintercalating the H+ ions0 aElectrochromic device ECD cell characterization on electron beam aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcJAN a76-860 v73 a

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

10acoloration efficiency10aelectrochromic device cells10amolybdenum oxide thin films10aoptical density10astoichiometry1 aSivakumar, R.1 aGopinath, Chinnakonda, S.1 aJayachandran, M.1 aSanjeeviraja, C. uhttps://library.ncl.res.in/content/electrochromic-device-ecd-cell-characterization-electron-beam-evaporated-moo3-films-002031nas a2200289 4500008004100000022001400041245013300055210006900188260007300257300001200330490000900342520099500351653001501346653002601361653002601387653002101413653002201434653000901456653001501465100002201480700002201502700002501524700002101549700002401570700002701594856012001621 2007 eng d a0021-967300aEnantiomeric separation of novel anticancer agent 5-hydroxy-3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-cyclopent-2-en- 1-one0 aEnantiomeric separation of novel anticancer agent 5hydroxy34meth aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcJAN a184-1890 v11383 a

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

10aAnticancer10acolumn chromatography10adiaryl cyclopentenone10adiastereoisomers10aenantioseparation10aHPLC10aResolution1 aShinde, Popat, D.1 aJadhav, Vinod, H.1 aBorate, Hanumant, B.1 aBhide, Sunil, R.1 aSonawane, Kiran, B.1 aWakharkar, Radhika, D. uhttps://library.ncl.res.in/content/enantiomeric-separation-novel-anticancer-agent-5-hydroxy-3-4-methoxyphenyl-2-34501371nas a2200205 4500008004100000022001400041245006700055210006700122260012500189300002300314490000700337520058300344100002600927700002300953700002000976700002500996700002201021700003001043856009201073 2007 eng d a0003-695100aEnergy analysis of field emitted electrons from a ZnO tetrapod0 aEnergy analysis of field emitted electrons from a ZnO tetrapod aCIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USAbAMER INST PHYSICScAPR aArticle No. 1621020 v903 a

The experimental total energy distribution (TED) of the field emitted electrons from a single pod of a ZnO tetrapod has been obtained, exhibiting a two-peak feature. The energy difference between the two peaks in the TED is found to be nearly equal to the band gap of the bulk ZnO. The results show that field emitted electrons originate from both the conduction and valence bands. The peak position dependence on the applied voltage has also been observed. In the present case, the size of the ZnO tetrapod is not small enough to reflect the quantum confinement effects.

1 aAl-Tabbakh, Ahmed, A.1 aMore, Mahendra, A.1 aJoag, Dilip, S.1 aRamgir, Niranjan, S.1 aMulla, Imtiaz, S.1 aPillai, Vijayamohanan, K. uhttps://library.ncl.res.in/content/energy-analysis-field-emitted-electrons-zno-tetrapod01417nas a2200157 4500008004100000022001400041245012500055210006900180260006700249300001400316490000700330520074800337100001801085700002501103856013101128 2007 eng d a0002-782000aEnhanced permeability and dielectric constant of NiZn ferrite synthesized in nanocrystalline form by a combustion method0 aEnhanced permeability and dielectric constant of NiZn ferrite sy a111 RIVER ST, HOBOKEN 07030-5774, NJ USAbWILEY-BLACKWELLcMAY a1494-14990 v903 a

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

1 aDeka, Sasanka1 aJoy, Pattayil, Alias uhttps://library.ncl.res.in/content/enhanced-permeability-and-dielectric-constant-nizn-ferrite-synthesized-nanocrystalline-form00946nas a2200157 4500008004100000022001400041245008600055210006900141260011000210300001200320490000700332520029700339100001800636700002500654856010900679 2007 eng d a0959-942800aEnhancement of the phase transformation temperature of gamma-Fe2O3 by Zn2+ doping0 aEnhancement of the phase transformation temperature of gammaFe2O aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcJAN a453-4560 v173 a

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

1 aDeka, Sasanka1 aJoy, Pattayil, Alias uhttps://library.ncl.res.in/content/enhancement-phase-transformation-temperature-gamma-fe2o3-zn2-doping-002501nas a2200193 4500008004100000022001400041245009300055210006900148260007100217300001400288490000700302520174800309100002802057700002102085700002502106700002102131700002902152856012602181 2007 eng d a0888-588500aEnvironmentally benign catalytic hydroformylation-oxidation route for naproxen synthesis0 aEnvironmentally benign catalytic hydroformylationoxidation route a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcDEC a8480-84890 v463 a

Hydroformylation of 6-methoxy-2-vinylnaphthalene (MVN), using homogeneous Rh(CO)acac) as a catalyst and a chelating bidentate ligand (1,2-bis-(diphenylphosphino) ethane, dppe), followed by oxidation of the product (2-(6-methoxynaphthyl) propanal, 2-MNP) has been studied as an alternative route for the synthesis Of D,L-naproxen. The feasibility of the MVN hydroformylation route has been demonstrated, and a detailed study has been reported on the key hydroformylation step. The roles of the catalyst, ligands, and solvents, as well as the effect of reaction conditions on the reaction rate and regioselectivity of the product 2-MNP, have been investigated. With Rh(CO)2(acac) as a catalyst and dppe as a ligand, > 98% selectivity to 2-MNP (an important precursor to D,L-naproxen) has been achieved. A possible mechanism to explain the variation in regioselectivity with Rh(CO)(2)(acac) as a catalyst and dppe as a ligand has been discussed. The kinetics of the hydroformylation step has been investigated and a rate equation has been proposed. The second step in the proposed route for naproxen-the oxidation of 2-MNP to 2-(6-methoxynaphthyl) propanoic acid (2-MNPA, or naproxen) - has been studied using Na2WO4 as a catalyst and tetrabutyl ammonium hydrogen sulfate (TBAHS) as the phase-transfer catalyst with H2O2 as the oxidant for the first time. Screening of the catalysts that consisted of the early transition metals, such as salts of tungsten, vanadium, and molybdenum showed that Na2WO4 gives the best performance for the oxidation step with > 80% selectivity to 2-(6-methoxynaphthyl)propanoic acid (2-MNPA/naproxen). This study would be valuable in developing a new environmentally benign route for naproxen synthesis.

1 aRajurkar, Kalpendra, B.1 aTonde, Sunil, S.1 aDidgikar, Mahesh, R.1 aJoshi, Sunil, S.1 aChaudhari, Raghunath, V. uhttps://library.ncl.res.in/content/environmentally-benign-catalytic-hydroformylation-oxidation-route-naproxen-synthesis-001487nas a2200241 4500008004100000020002200041022001400063245004700077210004700124260024700171300001000418490000900428520058000437100001501017700001701032700002001049700002101069700002601090700001401116700001501130700001601145856008401161 2007 eng d a978-3-540-77045-9 a0302-974300aFault diagnosis using dynamic time warping0 aFault diagnosis using dynamic time warping aHeidelberger Platz 3, D-14197 Berlin, GermanybIndian Stat Inst, Machine Intelligence Univ; ISI Ctr Soft Comp Res; Int Assoc Pattern Recognit; Int Ctr Pure & Appl Math; Web Intelligence Consortium; Yahoo India Res & Dev; Philips Res AsiacDEC a57-660 v48153 a

Owing to the superiority of Dynamic Time Warping as a similarity measure of time series, it can become an effective tool for fault diagnosis in chemical process plants. However, direct application of Dynamic Time Warping can be computationally inefficient, given the complexity involved. In this work we have tackled this problem by employing a warping window constraint and a Lower Bounding measure. A novel methodology for online fault diagnosis with Dynamic Time Warping has been suggested and its performance has been investigated using two simulated case studies.

1 aRajshekhar1 aGupta, Ankur1 aSamanta, A., N.1 aKulkarni, B., D.1 aJayaraman, Valadi, K.1 aGhosh, A.1 aDe, R., K.1 aPal, S., K. uhttps://library.ncl.res.in/content/fault-diagnosis-using-dynamic-time-warping-101611nas a2200277 4500008004100000022001400041245005900055210005800114260007300172300001400245490000800259520071800267653002400985653001901009653002901028653000901057653000901066100002101075700002401096700002501120700002301145700002201168700003001190700002001220856009301240 2007 eng d a0169-433200aField emission investigations of RuO2-doped SnO2 wires0 aField emission investigations of RuO2doped SnO2 wires aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcSEP a9159-91630 v2533 a

Field emission studies of a bunch and a single isolated RuO2:SnO2 wire have been performed. A current density of 5.73 x 10(4) A/cm(2) is drawn from the single wire emitter at an applied field of 8.46 x 10(4) V/mu m. Nonlinearity in the Fowler-Nordheim (F-N) plot has been observed and explained on the basis of electron emission from both the conduction and the valence bands of the semiconductor. The current stability recorded at the preset value of 1.5 LA is observed to be good. Overall the high emission current density, good stability and mechanically robust nature of the RuO2:SnO2 wires offer advantages as field emitters for many potential applications. (c) 2007 Elsevier B.V. All rights reserved.

10adoped semiconductor10afield emission10afield enhancement factor10aRuO210aSnO21 aBhise, Ashok, B.1 aLate, Dattatray, J.1 aRamgir, Niranjan, S.1 aMore, Mahendra, A.1 aMulla, Imtiaz, S.1 aPillai, Vijayamohanan, K.1 aJoag, Dilip, S. uhttps://library.ncl.res.in/content/field-emission-investigations-ruo2-doped-sno2-wires-001618nas a2200193 4500008004100000022001400041245017500055210006900230260008000299300001400379490000700393520078000400100001901180700002101199700001901220700002501239700003301264856012701297 2007 eng d a0022-372700aFinite size effects on the electrical properties of sol-gel synthesized CoFe2O4 powders: deviation from Maxwell-Wagner theory and evidence of surface polarization effects0 aFinite size effects on the electrical properties of solgel synth aDIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLANDbIOP PUBLISHING LTDcMAR a1593-16020 v403 a

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

1 aGeorge, Mathew1 aNair, Swapna, S.1 aMalini, K., A.1 aJoy, Pattayil, Alias1 aAnantharaman, Maliemadom, R. uhttps://library.ncl.res.in/content/finite-size-effects-electrical-properties-sol-gel-synthesized-cofe2o4-powders-deviation03284nas a2200241 4500008004100000022001400041245018000055210006900235260007300304300001200377490000800389520231000397653002302707653002302730653002702753653002202780653002902802653001802831100002602849700002202875700001802897856012702915 2007 eng d a0926-860X00aFormation from direct oxidation of H-2 and destruction by decomposition/hydrogenation of H2O2 over Pd/C catalyst in aqueous medium containing different acids and halide anions0 aFormation from direct oxidation of H2 and destruction by decompo aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcFEB a234-2430 v3173 a

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

10aH2O2 decomposition10aH2O2 hydrogenation10ahalide anion promoters10aHydrogen peroxide10aoxidation of H-2-to-H2O210aPd/C catalyst1 aChoudhary, Vasant, R.1 aSamanta, Chanchal1 aJana, Prabhas uhttps://library.ncl.res.in/content/formation-direct-oxidation-h-2-and-destruction-decompositionhydrogenation-h2o2-over-pdc01189nas a2200229 4500008004100000022001400041245010500055210006900160260007700229300001000306490000700316520034700323100001700670700002500687700002000712700001700732700001900749700001900768700001700787700002900804856012600833 2007 eng d a0935-964800aFungus-based synthesis of chemically difficult-to-synthesize multifunctional nanoparticles of CuAlO20 aFungusbased synthesis of chemically difficulttosynthesize multif aPO BOX 10 11 61, D-69451 WEINHEIM, GERMANYbWILEY-V C H VERLAG GMBHcNOV a3295+0 v193 a

Fungal nanosynthesis of ternary CuAlO2 phase is achieved at 50 degrees C. This phase is chemically difficult to synthesize at low temperatures because of the incompatible oxidation chemistry of Cu and Al. The synthesized protein-capped water-dispersible nanoparticles show blue luminescence and radio-frequency absorption (see figure).

1 aAhmad, Absar1 aJagadale, Tushar, C.1 aDhas, Vivek, V.1 aKhan, Shadab1 aPatil, Shankar1 aPasricha, Renu1 aRavi, Venkat1 aOgale, Satishchandra, B. uhttps://library.ncl.res.in/content/fungus-based-synthesis-chemically-difficult-synthesize-multifunctional-nanoparticles-002638nas a2200205 4500008004100000022001400041245017900055210006900234260007300303300001000376490000800386520175900394653002602153653003002179653002802209653002502237100002602262700001402288856013002302 2007 eng d a0926-860X00aGaClx- or GaAlClx-grafted Si-MCM-41: highly active and moisture insensitive/stable catalyst for the acylation and benzylation of benzene, naphthalene and substituted benzenes0 aGaClx or GaAlClxgrafted SiMCM41 highly active and moisture insen aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcDEC a42-480 v3333 a

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

10aacylation benzylation10aGaAlClx-grafted Si-MCM-4110aGaClx-grafted Si-MCM-4110amoisture insensitive1 aChoudhary, Vasant, R.1 aJha, Rani uhttps://library.ncl.res.in/content/gaclx-or-gaalclx-grafted-si-mcm-41-highly-active-and-moisture-insensitivestable-catalyst-002229nas a2200241 4500008004100000022001400041245017300055210006900228260007300297300001200370490000800382520125300390653003301643653002201676653002201698653002801720653002101748653002201769100002601791700001801817700002201835856013001857 2007 eng d a0926-860X00aGeneration of hydrogen peroxide via the selective reduction of oxygen by hydrazine sulfate over Br-promoted Pd/Al2O3 catalyst in an aqueous medium at ambient conditions0 aGeneration of hydrogen peroxide via the selective reduction of o aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcAPR a202-2090 v3233 a

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

10abrominated Pd/Al2O3 catalyst10ahydrazine sulfate10aHydrogen peroxide10ain situ H2O2 generation10aoxygen reduction10aPd/Al2O3 catalyst1 aChoudhary, Vasant, R.1 aJana, Prabhas1 aSamanta, Chanchal uhttps://library.ncl.res.in/content/generation-hydrogen-peroxide-selective-reduction-oxygen-hydrazine-sulfate-over-br-promoted01773nas a2200265 4500008004100000022001400041245009300055210006900148260008800217300001400305490000700319520078000326653002401106653003301130653002101163653003401184100002201218700002601240700002001266700002301286700002401309700002601333700002101359856012701380 2007 eng d a0011-389100aGenetic diversity analysis of mango cultivars using inter simple sequence repeat markers0 aGenetic diversity analysis of mango cultivars using inter simple aC V RAMAN AVENUE, PO BOX 8005, BANGALORE 560 080, INDIAbCURRENT SCIENCE ASSOCcOCT a1135-11410 v933 a

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

10aDNA finger printing10ainter simple sequence repeat10aMangifera indica10aprinciple coordinate analysis1 aPandit, Sagar, S.1 aMitra, Sirsha, Sribas1 aGiri, Ashok, P.1 aPujari, Keshav, H.1 aPatil, Bhimarao, P.1 aJambhale, Narayan, D.1 aGupta, Vidya, S. uhttps://library.ncl.res.in/content/genetic-diversity-analysis-mango-cultivars-using-inter-simple-sequence-repeat-markers-001561nas a2200193 4500008004100000022001400041245005400055210005400109260007100163300001400234490000700248520090200255100002701157700002201184700002601206700002101232700003201253856008201285 2007 eng d a0888-588500aGeometrical solution to the sharkskin instability0 aGeometrical solution to the sharkskin instability a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcMAY a3048-30560 v463 a

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

1 aPol, Harshawardhan, V.1 aJoshi, Yogesh, M.1 aTapadia, Prashant, S.1 aLele, Ashish, K.1 aMashelkar, Raghunath, Anant uhttps://library.ncl.res.in/content/geometrical-solution-sharkskin-instability01714nas a2200217 4500008004100000020002200041022001400063245012800077210006900205260024700274300001200521490000900533520071200542100001801254700002601272700002101298700001401319700001501333700001601348856013201364 2007 eng d a978-3-540-77045-9 a0302-974300aGranular support vector machine based method for prediction of solubility of proteins on overexpression in Escherichia coli0 aGranular support vector machine based method for prediction of s aHeidelberger Platz 3, D-14197 Berlin, GermanybIndian Stat Inst, Machine Intelligence Univ; ISI Ctr Soft Comp Res; Int Assoc Pattern Recognit; Int Ctr Pure & Appl Math; Web Intelligence Consortium; Yahoo India Res & Dev; Philips Res AsiacDEC a406-4150 v48153 a

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

1 aKumar, Pankaj1 aJayaraman, Valadi, K.1 aKulkarni, B., D.1 aGhosh, A.1 aDe, R., K.1 aPal, S., K. uhttps://library.ncl.res.in/content/granular-support-vector-machine-based-method-prediction-solubility-proteins-overexpression-102341nas 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-containing01558nas a2200229 4500008004100000022001400041245018500055210006900240260007300309300001400382490000600396520062400402653002201026653001801048653002601066653002801092653001101120653002101131100002601152700001801178856013201196 2007 eng d a1566-736700aIn situ generation of hydrogen peroxide from reaction of O-2 with hydroxylamine from hydroxylammonium salt in neutral aqueous or non-aqueous medium using reusable Pd/Al2O3 catalyst0 aIn situ generation of hydrogen peroxide from reaction of O2 with aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcNOV a1578-15820 v83 a

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

10aHydrogen peroxide10ahydroxylamine10aHydroxylammonium salt10ain situ H2O2 generation10aoxygen10aPd/AlO3 catalyst1 aChoudhary, Vasant, R.1 aJana, Prabhas uhttps://library.ncl.res.in/content/situ-generation-hydrogen-peroxide-reaction-o-2-hydroxylamine-hydroxylammonium-salt-neutral-001805nas a2200253 4500008004100000022001400041245008800055210006900143260010600212300001400318490000700332520091900339653001101258653002101269653001301290653002701303653001301330100001901343700002001362700001701382700002101399700001801420856011301438 2007 eng d a0013-468600aInfluence of film structure on mobilities of charge carriers in conducting polymers0 aInfluence of film structure on mobilities of charge carriers in  aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcNOV a8088-80950 v523 a

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

10aDoping10aelectrosynthesis10amobility10apoly(3-hexylthiophene)10aswelling1 aHarima, Yutaka1 aJiang, Xiaoqing1 aPatil, Rahul1 aKomaguchi, Kenji1 aMizota, Haruo uhttps://library.ncl.res.in/content/influence-film-structure-mobilities-charge-carriers-conducting-polymers-001481nas a2200241 4500008004100000022001400041245005500055210005500110260007300165300001400238490000700252520071500259653002300974653001100997653001801008653003701026653002201063100001901085700002001104700001501124700001301139856008701152 2007 eng d a0167-577X00aLow temperature route to prepare LaFeO3 and LaCoO30 aLow temperature route to prepare LaFeO3 and LaCoO3 aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcAPR a2030-20320 v613 a

A combination of digestion and further low temperature calcination to crystallize the product was employed to prepare LaFeO3 (LF) and LaCoO3 (LC) powders. Freshly co-precipitated lanthanum and ferric (or cobalt) hydroxide gels by sodium hydroxide were allowed to react at 100 degrees C under refluxing and stirring conditions for 4-6 h. These oven dried powders were heated at 450 degrees C to from crystalline LF (or LC) powders. The phase contents and lattice parameters were investigated by X-ray diffraction (XRD). Transmission electron microscope (TEM) investigations were carried out to examine the morphology and average particle size of these powders. (c) 2006 Elsevier B.V. All rights reserved.

10aChemical synthesis10aLaFeO310aPrecipitation10atransmission electron microscopy10aX-ray diffraction1 aJadhav, A., D.1 aGaikwad, A., B.1 aSamuel, V.1 aRavi, V. uhttps://library.ncl.res.in/content/low-temperature-route-prepare-lafeo3-and-lacoo302057nas a2200301 4500008004100000022001400041245007100055210006900126260009200195300001400287490000600301520105500307653003001362653001401392653001401406653001801420100002201438700001601460700002101476700002301497700001801520700001801538700002301556700001901579700002301598700002901621856010501650 2007 eng d a1533-488000aLow temperature synthesis of magnetite and maghemite nanoparticles0 aLow temperature synthesis of magnetite and maghemite nanoparticl a26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USAbAMER SCIENTIFIC PUBLISHERScDEC a4294-43020 v73 a

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

10alow temperature synthesis10amaghemite10amagnetite10aNanoparticles1 aBhagwat, Shrikant1 aSingh, Hema1 aAthawale, Anjali1 aHannoyer, Beatrice1 aJouen, Samuel1 aLefez, Benoit1 aKundaliya, Darshan1 aPasricha, Renu1 aKulkarni, Shailaja1 aOgale, Satishchandra, B. uhttps://library.ncl.res.in/content/low-temperature-synthesis-magnetite-and-maghemite-nanoparticles-001492nas a2200289 4500008004100000022001400041245009900055210006900154260013100223300001200354490000700366520045200373653001600825653001400841653001000855653002100865653002200886100001800908700002200926700001700948700002400965700002600989700001801015700002501033700001801058856012601076 2007 eng d a0972-853800aMacroporous beads for lipase immobilization: kinetic resolution of a racemic drug intermediate0 aMacroporous beads for lipase immobilization kinetic resolution o aDIV FRUITS & HORTICULTURAL TECHNOL, INDIAN AGRICULTURAL RESEARCH INST, NEW DELHI, 110 012, INDIAbHORTICULTURAL SOC INDIAcMAR a174-1940 v223 a

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

10aauxin pulse10acoco-peat10agrape10amicropropagation10aplantlet survival1 aBhushan, Indu1 aParshad, Rajinder1 aQazi, G., N.1 aIngavle, Ganesh, C.1 aJamalpure, Trupti, M.1 aRajan, C., R.1 aPonrathnam, Surendra1 aGupta, V., K. uhttps://library.ncl.res.in/content/macroporous-beads-lipase-immobilization-kinetic-resolution-racemic-drug-intermediate-002292nas a2200253 4500008004100000022001400041245009200055210006900147260010600216300001400322490000700336520136000343653001901703653000801722653001301730653002601743653002501769100002401794700002301818700002201841700002701863700002901890856011901919 2007 eng d a0009-250900aModeling of bubble column slurry reactor for reductive alkylation of p-phenylenediamine0 aModeling of bubble column slurry reactor for reductive alkylatio aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcDEC a7290-73040 v623 a

A bubble column slurry reactor (BCSR) model has been developed for the reductive alkylation of p-phenylenediamine (PPDA) with methyl ethyl ketone (MEK) to N, N'-di-secondary-alkyl-p-phenylenediamine (Di-amine). This particular reaction system is commercially relevant and involves a combination of parallel and consecutive reactions comprising equilibrium non-catalytic (homogeneous) and catalytic (heterogeneous) steps. The proposed model is based on the `mixing cell approach'. In this work the mixing cell approach has been extended by including a liquid backflow stream from all but the bottommost mixing cell. The model incorporates the contributions of gas-liquid and liquid-solid mass transfer, heat effects, and complex multistep reaction kinetics. CFD model is used to estimate the extent of backflow among mixing cells and its dependence on operating parameters. The effect of gas and liquid velocities, catalyst loading, inlet PPDA concentration, and temperature on the conversion, selectivity, global rate of hydrogenation, and temperature rise is discussed. The comparison of the current approach with the traditional mixing cell model is discussed. The BCSR model presented here will be useful to provide guidelines for designing and improving overall performance of bubble column reactors. (C) 2007 Elsevier Ltd. All rights reserved.

10abubble columns10aCFD10akinetics10aMathematical modeling10aReductive alkylation1 aChaudhari, Amit, S.1 aRampure, Mohan, R.1 aRanade, Vivek, V.1 aJaganathan, Rengaswamy1 aChaudhari, Raghunath, V. uhttps://library.ncl.res.in/content/modeling-bubble-column-slurry-reactor-reductive-alkylation-p-phenylenediamine-001315nas a2200217 4500008004100000022001400041245012200055210006900177260007100246300001600317490000700333520048100340100002000821700001800841700002000859700002500879700002100904700001900925700003000944856012300974 2007 eng d a0743-746300aMultiutility sophorolipids as nanoparticle capping agents: synthesis of stable and water dispersible Co nanoparticles0 aMultiutility sophorolipids as nanoparticle capping agents synthe a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcNOV a11409-114120 v233 a

Sophorolipids are a class of glycolipids that can be obtained from fatty acids by simply treating them with yeast cells (Candida bombicola, ATCC 22214) and glucose. In this letter, we demonstrate the application of sophorolipids obtained from oleic acid as a capping agent for Co nanoparticles. Upon capping the nanoparticle surface, the sugar moiety of these sophorolipids is exposed to the solvent environment, making the nanoparticles stable and water-redispersible.

1 aKasture, Manasi1 aSingh, Sanjay1 aPatel, Pitamber1 aJoy, Pattayil, Alias1 aPrabhune, Asmita1 aRamana, C., V.1 aPrasad, Bhagavatula L. V. uhttps://library.ncl.res.in/content/multiutility-sophorolipids-nanoparticle-capping-agents-synthesis-stable-and-water-001985nas a2200277 4500008004100000022001400041245011000055210006900165260007400234300001200308490000800320520103100328653001601359653001101375653001301386653002401399653001401423653001701437100002701454700002401481700002001505700002501525700002001550700001701570856012001587 2007 eng d a1520-610600aNCL-7, a novel all silica analog of polymorph B rich member of BEA family: synthesis and characterization0 aNCL7 a novel all silica analog of polymorph B rich member of BEA a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbJapan Assoc ZeolitescAPR a108-1140 v1013 a

{Polymorph B-rich BEA type structure, NCL-7, was synthesized using hydrothermal method in fluoride medium using perchloric acid as promoter. The samples were characterized using XRD, low temperature N-2-adsorption and Si-29 MASNMR. As the structure of beta is highly disordered Rietveld refinement of powder XRD patterns is precluded. Phase composition is derived using the simulated patterns for the random intergrowths of polymorph A and B by DIFFaX. The stacking direction c' is perpendicular to the a'b' plane of the layer. The composition of polymorph B is found to be ca. 60-65%. Two other structures namely NCL-5 and NCL-6 with varying degree of polymorph B enrichment were also synthesized. Synthesis parameters such as effect of H2O/SiO2, TEAOH/SiO2, HClO4/SiO2 and crystallization temperature were studied thoroughly. The present article explains for the first time the synthesis and characterization of NCL-7, an analog of BEA type family with enrichment of polymorph B and its comparison with normal beta (*

10aB-polymorph10aDIFFaX10aPromoter10aReitveld refinement10asynthesis10azeolite beta1 aKadgaonkar, Mahesh, D.1 aKasture, Mahesh, W.1 aBhange, Deu, S.1 aJoshi, Praphulla, N.1 aRamaswamy, Veda1 aKumar, Rajiv uhttps://library.ncl.res.in/content/ncl-7-novel-all-silica-analog-polymorph-b-rich-member-bea-family-synthesis-and-000847nas a2200241 4500008004100000022001400041245007900055210006900134260010700203300001200310490000700322653001700329653001300346653001000359653001600369653001500385100001900400700002200419700002000441700002000461700001700481856010700498 2007 eng d a0032-389600aNew technique to study kinetics of chain conformation in polyaniline films0 aNew technique to study kinetics of chain conformation in polyani aTSUKIJI DAISAN NAGAOKA BLDG, 2-4-2 TSUKIJI, CHUO-KU, TOKYO, 104, JAPANbSOC POLYMER SCIENCE JAPANcFEB a296-2970 v3910aConformation10akinetics10alaser10apolyaniline10areflection1 aHarima, Yutaka1 aKishimoto, Kazuya1 aOgawa, Fumiyuki1 aJiang, Xiaoqing1 aPatil, Rahul uhttps://library.ncl.res.in/content/new-technique-study-kinetics-chain-conformation-polyaniline-films-001416nas a2200253 4500008004100000022001400041245005700055210005700112260007300169300001200242490000700254520062500261653002300886653002400909653002500933653001100958653002200969100001500991700002001006700001901026700001801045700001301063856008601076 2007 eng d a0167-577X00aNovel technique to prepare LiNbO3 at low temperature0 aNovel technique to prepare LiNbO3 at low temperature aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcFEB a765-7660 v613 a

Fresh niobium hydroxide was first precipitated from NbF5 solution using an aqueous ammonium hydroxide under basic conditions. Then a simple procedure of mixing lithium and niobium hydroxides together and heating at a low temperature (400 degrees C) produced pure ultrafine single phase LiNbO3 (LN). In the literature, this is the lowest temperature so far reported on the formation of LN. The phase content and lattice parameters are determined by X-ray diffraction (XRD). The average particle size and morphology were studied by transmission electron microscopy (TEM). (c) 2006 Elsevier B.V. All rights reserved.

10aChemical synthesis10aElectron microscopy10aelectronic materials10aLiNbO310aX-ray diffraction1 aSamuel, V.1 aGaikwad, A., B.1 aJadhav, A., D.1 aMirji, S., A.1 aRavi, V. uhttps://library.ncl.res.in/content/novel-technique-prepare-linbo3-low-temperature02051nas a2200277 4500008004100000022001400041245009600055210006900151260008600220300001200306490000700318520111200325653001001437653002301447653001601470653001601486653002101502100001901523700001401542700001701556700001801573700002001591700001801611700001701629856012701646 2007 eng d a1553-317400aOne-step preparation of nanosized Ag-PdCo-powder and its alloy formation at low temperature0 aOnestep preparation of nanosized AgPdCopowder and its alloy form a325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USAbTAYLOR & FRANCIS INCcSEP a531-5390 v373 a

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

10aalloy10aChemical synthesis10anano-powder10anoble metal10aTransition Metal1 aKhanna, P., K.1 aSingh, N.1 aKulkarni, D.1 aMarimuthu, R.1 aCharan, Shobhit1 aPatil, K., R.1 aJain, G., H. uhttps://library.ncl.res.in/content/one-step-preparation-nanosized-ag-pdco-powder-and-its-alloy-formation-low-temperature-001789nas a2200169 4500008004100000245008000041210006900121260000800190300001400198490000700212520121000219100002101429700002001450700001701470700001701487856011501504 2007 eng d00aPET-SWNT nanocomposites through ultrasound assisted dissolution-evaporation0 aPETSWNT nanocomposites through ultrasound assisted dissolutionev cJUN a2279-22850 v433 a

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

1 aAnoop, Anand, K.1 aAgarwal, U., S.1 aNisal, Anuya1 aJoseph, Rani uhttps://library.ncl.res.in/content/pet-swnt-nanocomposites-through-ultrasound-assisted-dissolution-evaporation00948nas a2200205 4500008004100000022001400041245008700055210006900142260008600211300001400297490000700311520017100318653002400489653002300513653002100536100001900557700001800576700002800594856012000622 2007 eng d a0039-791100aPreparation of enantiopure trans-1,2-cyclohexanediol and trans-2-aminocyclohexanol0 aPreparation of enantiopure trans12cyclohexanediol and trans2amin a325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USAbTAYLOR & FRANCIS INCcMAY a1727-17330 v373 a

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

10achemical resolution10achiral auxiliaries10aepoxide-cleavage1 aChatterjee, A.1 aSasikumar, M.1 aJoshi, Navalkishore, N. uhttps://library.ncl.res.in/content/preparation-enantiopure-trans-12-cyclohexanediol-and-trans-2-aminocyclohexanol-001964nas a2200265 4500008004100000022001400041245017500055210006900230260007300299300001200372490000600384520095100390653002101341653001301362653001301375653001101388653002201399653001801421653002701439653002801466100002601494700001801520700002801538856013201566 2007 eng d a1566-736700aReduction of oxygen by hydroxylammonium salt or hydroxylamine over supported Au nanoparticles for in situ generation of hydrogen peroxide in aqueous or non-aqueous medium0 aReduction of oxygen by hydroxylammonium salt or hydroxylamine ov aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcMAY a811-8160 v83 a

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

10aAu Nanoparticles10aAu/Gd2O310aAu/La2O310aAu/MgO10aHydrogen peroxide10ahydroxylamine10ahydroxylammonium salts10ain situ H2O2 generation1 aChoudhary, Vasant, R.1 aJana, Prabhas1 aBhargava, Suresh, Kumar uhttps://library.ncl.res.in/content/reduction-oxygen-hydroxylammonium-salt-or-hydroxylamine-over-supported-au-nanoparticles-situ01969nas a2200169 4500008004100000022001400041245017200055210006900227260011000296300001200406490000600418520119200424100002601616700001401642700001801656856012501674 2007 eng d a1463-926200aSolvent-free selective oxidation of benzyl alcohol by molecular oxygen over uranium oxide supported nano-gold catalyst for the production of chlorine-free benzaldehyde0 aSolventfree selective oxidation of benzyl alcohol by molecular o aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcJAN a267-2720 v93 a

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

1 aChoudhary, Vasant, R.1 aJha, Rani1 aJana, Prabhas uhttps://library.ncl.res.in/content/solvent-free-selective-oxidation-benzyl-alcohol-molecular-oxygen-over-uranium-oxide-001997nas a2200253 4500008004100000022001400041245013800055210006900193260007300262300001200335490000800347520105500355653002101410653001301431653003301444653001101477653001401488653002401502653002201526100002101548700002401569700001801593856013201611 2007 eng d a0022-309300aStructural evolutions of hydrothermally prepared mesostructured MCM-48 silica using differently manufactured amorphous silica powders0 aStructural evolutions of hydrothermally prepared mesostructured  aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcFEB a194-1990 v3533 a

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

10along-range order10amicelles10ascanning electron microscopy10asilica10asilicates10asol-gels (xerogels)10aX-ray diffraction1 aTaralkar, U., S.1 aJha, Ratnesh, Kumar1 aJoshi, P., N. uhttps://library.ncl.res.in/content/structural-evolutions-hydrothermally-prepared-mesostructured-mcm-48-silica-using-differently01870nas a2200253 4500008004100000022001400041245010700055210006900162260010500231300000900336490000700345520093600352653003501288653002301323653002001346653001601366653001601382100001701398700001801415700001801433700002101451700001801472856012601490 2007 eng d a0250-470700aStudies on gas sensing performance of pure and modified barium strontium titanate thick film resistors0 aStudies on gas sensing performance of pure and modified barium s aC V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIAbINDIAN ACADEMY SCIENCEScFEB a9-170 v303 a

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

10a(Ba0.87Sr0.13)TiO3 thick films10aammonia gas sensor10aII2S gas sensor10aselectivity10asensitivity1 aJain, G., H.1 aPatil, L., A.1 aPatil, P., P.1 aMulik, Uttam, P.1 aPatil, K., R. uhttps://library.ncl.res.in/content/studies-gas-sensing-performance-pure-and-modified-barium-strontium-titanate-thick-film01816nas a2200289 4500008004100000022001400041245012100055210006900176260007300245300001400318490000600332520082400338653001401162653001401176653001401190653001801204653001301222653001601235653001201251653001801263653003301281100002601314700001401340700002501354700001801379856012901397 2007 eng d a1566-736700aSupported copper oxide as a highly active/selective catalyst for the epoxidation of styrene by TBHP to styrene oxide0 aSupported copper oxide as a highly activeselective catalyst for  aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcOCT a1556-15600 v83 a

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

10aCuO/Al2O310aCuO/Ga2O310aCuO/In2O310aCuo/Si-MCM-4110aCuO/SiO210aepoxidation10astyrene10aStyrene oxide10atertiary butyl hydroperoxide1 aChoudhary, Vasant, R.1 aJha, Rani1 aChaudhari, Nitin, K.1 aJana, Prabhas uhttps://library.ncl.res.in/content/supported-copper-oxide-highly-activeselective-catalyst-epoxidation-styrene-tbhp-styrene-002067nas a2200241 4500008004100000022001400041245010200055210006900157260006800226300001400294490000800308520117400316653003201490653001301522653001401535653002701549653002401576100002401600700002101624700002401645700002501669856013101694 2007 eng d a0021-899500aSwelling and mechanical behavior of modified poly(vinyl alcohol)/laponite nanocomposite membranes0 aSwelling and mechanical behavior of modified polyvinyl alcoholla a111 RIVER ST, HOBOKEN, NJ 07030 USAbJOHN WILEY & SONS INCcMAR a2896-29030 v1033 a

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

10aDynamic mechanical analysis10alaponite10amembranes10ananocomposite hydrogel10apoly(vinyl alcohol)1 aNair, Shubhangi, H.1 aPawar, Kiran, C.1 aJog, Jyoti, Prakash1 aBadiger, Manohar, V. uhttps://library.ncl.res.in/content/swelling-and-mechanical-behavior-modified-polyvinyl-alcohollaponite-nanocomposite-membranes01681nas a2200241 4500008004100000022001400041245018800055210006900243260009500312300001200407490000800419520068600427653002601113653004201139653002101181653002201202653001301224653000901237653002201246100002601268700001801294856012701312 2007 eng d a0021-951700aSynergetic effect of two halogen promoters present in acidic reaction medium or catalyst on the H2O2 formation (in H-2-to-H2O2 oxidation) and destruction over Pd/C (or Al2O3) catalyst0 aSynergetic effect of two halogen promoters present in acidic rea a525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USAbACADEMIC PRESS INC ELSEVIER SCIENCEcMAR a434-4390 v2463 a

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

10aH-2-to-H2O2 oxidation10aH2O2 decomposition H2O2 hydrogenation10ahalogen promoter10aHydrogen peroxide10aPd/Al2O310aPd/C10asynergetic effect1 aChoudhary, Vasant, R.1 aJana, Prabhas uhttps://library.ncl.res.in/content/synergetic-effect-two-halogen-promoters-present-acidic-reaction-medium-or-catalyst-h2o202437nas a2200301 4500008004100000022001400041245011900055210006900174260007300243300001000316490000800326520141300334653001501747653001001762653001001772653001001782653002701792653001401819653001301833100002701846700002401873700002001897700002501917700002001942700002401962700001701986856013202003 2007 eng d a1387-181100aSynthesis and characterization of NCL-5, NCL-6 and NCL-7: new zeolites enriched with polymorph B of the BEA family0 aSynthesis and characterization of NCL5 NCL6 and NCL7 new zeolite aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcSEP a82-880 v1053 a

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

10aBEA family10aNCL-510aNCL-610aNCL-710apolymorph B enrichment10asynthesis10azeolites1 aKadgaonkar, Mahesh, D.1 aKasture, Mahesh, W.1 aBhange, Deu, S.1 aJoshi, Praphulla, N.1 aRamaswamy, Veda1 aGupta, Narendra, M.1 aKumar, Rajiv uhttps://library.ncl.res.in/content/synthesis-and-characterization-ncl-5-ncl-6-and-ncl-7-new-zeolites-enriched-polymorph-b-bea-002183nas a2200241 4500008004100000020002200041022001400063245011400077210006900191260005500260300001200315490000800327520135800335100002001693700002201713700001801735700001401753700001001767700001201777700001201789700001101801856012901812 2007 eng d a978-0-444-53068-4 a0167-299100aSynthesis and characterization of value added catalysts zeolite beta using environmentally detrimental flyash0 aSynthesis and characterization of value added catalysts zeolite  aBeijing, Peoples R ChinabElsevier Science BVcAUG a438-4430 v1703 a

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

1 aKasture, M., W.1 aBokade, Vijay, V.1 aJoshi, P., N.1 aKumar, R.1 aXu, R1 aGao, Z.1 aChen, J1 aYan, W uhttps://library.ncl.res.in/content/synthesis-and-characterization-value-added-catalysts-zeolite-beta-using-environmentally-002364nas a2200385 4500008004100000022001400041245016700055210006900222260007100291300001400362490000700376520102300383100002301406700002701429700001901456700001601475700002501491700002201516700001601538700002301554700001801577700002101595700002101616700002101637700002701658700002401685700002201709700001801731700002201749700002101771700002201792700002001814700002201834856012201856 2007 eng d a0022-262300aSynthesis and evaluation of 4/5-hydroxy-2,3-diaryl(substituted)-cyclopent-2-en-1-ones as cis-restricted analogues of combretastatin A-4 as novel anticancer agents0 aSynthesis and evaluation of 45hydroxy23diarylsubstitutedcyclopen a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcAPR a1744-17530 v503 a

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

1 aGurjar, Mukund, K.1 aWakharkar, Radhika, D.1 aSingh, Anu, T.1 aJaggi, Manu1 aBorate, Hanumant, B.1 aShinde, Popat, D.1 aVerma, Ritu1 aRajendran, Praveen1 aDutt, Sarjana1 aSingh, Gurvinder1 aSanna, Vinod, K.1 aSingh, Manoj, K.1 aSrivastava, Sanjay, K.1 aMahajan, Vishal, A.1 aJadhav, Vinod, H.1 aDutta, Kakali1 aKrishnan, Karthik1 aChaudhary, Anika1 aAgarwal, Shiv, K.1 aMukherjee, Rama1 aBurman, Anand, C. uhttps://library.ncl.res.in/content/synthesis-and-evaluation-45-hydroxy-23-diarylsubstituted-cyclopent-2-en-1-ones-cis01815nas a2200205 4500008004100000022001400041245006400055210006400119260010600183300001200289490000800301520106000309653002501369653003501394653002401429653001701453100001801470700002501488856009601513 2007 eng d a0038-109800aSynthesis and magnetic properties of Mn doped ZnO nanowires0 aSynthesis and magnetic properties of Mn doped ZnO nanowires aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcAPR a190-1940 v1423 a

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

10aCombustion synthesis10adiluted magnetic semiconductor10amagnetic properties10aMn doped ZnO1 aDeka, Sasanka1 aJoy, Pattayil, Alias uhttps://library.ncl.res.in/content/synthesis-and-magnetic-properties-mn-doped-zno-nanowires01959nas a2200289 4500008004100000022001400041245007400055210006900129260009900198300001400297490000700311520103300318653001301351653002301364653000801387653001101395100001301406700002101419700001501440700002301455700001301478700001701491700001701508700001901525700002201544856010301566 2007 eng d a0272-884200aSynthesis of La0.7Sr0.3MnO3 at 800 degrees C using citrate gel method0 aSynthesis of La07Sr03MnO3 at 800 degrees C using citrate gel met aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLANDbELSEVIER SCI LTDcAUG a1129-11320 v333 a

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

10aCeramics10aCitrate gel method10aCMR10aOxides1 aRavi, V.1 aKulkarni, S., D.1 aSamuel, V.1 aKale, Sangeeta, N.1 aMona, J.1 aRajgopal, R.1 aDaundkar, A.1 aLahoti, P., S.1 aJoshi, Rakesh, S. uhttps://library.ncl.res.in/content/synthesis-la07sr03mno3-800-degrees-c-using-citrate-gel-method-001187nas a2200253 4500008004100000022001400041245008900055210006900144260007300213300001000286490000700296520034500303653001900648653001300667653002300680653001100703653001000714100002200724700002700746700001400773700001300787700001800800856011500818 2007 eng d a1003-995300aToluene alkylation with methanol to p-xylene over heteropoly acids supported by clay0 aToluene alkylation with methanol to pxylene over heteropoly acid aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcMAR a42-450 v163 a

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

10aco-crystalline10ap-xylene10atoluene alkylation10aZSM-1210aZSM-51 aBokade, Vijay, V.1 aDeshpande, Suvarna, S.1 aPatil, R.1 aJain, S.1 aYadav, G., D. uhttps://library.ncl.res.in/content/toluene-alkylation-methanol-p-xylene-over-heteropoly-acids-supported-clay-001261nas a2200229 4500008004100000022001400041245009000055210006900145260007300214300001400287490000700301520046000308653001300768653002700781653001300808653001400821653002400835100002000859700001900879700001700898856011600915 2007 eng d a0167-577X00aTransport study on as-grown and cast films of electrogenerated poly(3-hexylthiophene)0 aTransport study on asgrown and cast films of electrogenerated po aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcOCT a4687-46890 v613 a

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

10amobility10apoly(3-hexylthiophene)10aswelling10athin film10atransport mechanism1 aJiang, Xiaoqing1 aHarima, Yutaka1 aPatil, Rahul uhttps://library.ncl.res.in/content/transport-study-grown-and-cast-films-electrogenerated-poly3-hexylthiophene-001116nas a2200217 4500008004100000022001400041245006000055210005800115260008900173300001200262490000700274520037400281653001900655653001000674653002500684100002500709700002400734700002700758700002500785856008800810 2007 eng d a0376-469900aTwo new eudesmanolides from sphaeranthus indicus (Linn)0 aTwo new eudesmanolides from sphaeranthus indicus Linn aDR K S KRISHNAN MARG, NEW DELHI 110 012, INDIAbNATL INST SCIENCE COMMUNICATIONcFEB a379-3810 v463 a

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

10aeudesmanolides10aolide10aSphaeranthus indicus1 aJadhav, Ravindra, B.1 aSonawane, Kiran, B.1 aDeshpande, Nirmala, R.1 aRojatkar, Supada, R. uhttps://library.ncl.res.in/content/two-new-eudesmanolides-sphaeranthus-indicus-linn03069nas a2200289 4500008004100000022001400041245025700055210006900312260007300381300001200454490000600466520192600472653000602398653001702404653001702421653002502438653002202463653001202485653003602497653001902533100002002552700001902572700002602591700002002617700001302637856012902650 2007 eng d a1293-255800aUnprecedented two-dimensional polymeric [Zn(OOC-C6H4-COO)(2)](2_)(n)[+H3N-(CH2)(3)-NH(3])(+)n system bearing one-dimensional chain of zinc(II) bis(phthalate) dianions held by propane-1,3-diammonium cations: crystal structure, thermal and fluorescent pr0 aUnprecedented twodimensional polymeric ZnOOCC6H4COO22nH3NCH23NH3 aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcJUN a491-4950 v93 a

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

10a110a3-diammonium10acyclic chain10afluorescent emission10alayered structure10apropane10azinc(II) bis(phthalate) dianion10azinc-phthatate1 aPadmanabhan, A.1 aJoseph, K., C.1 aPuranik, Vedavati, G.1 aHuang, Xiaoying1 aLi, Jing uhttps://library.ncl.res.in/content/unprecedented-two-dimensional-polymeric-znooc-c6h4-coo22nh3n-ch23-nh3n-system-bearing-one02093nas a2200253 4500008004100000022001400041245010500055210006900160260007300229300001400302490000700316520117300323653002601496653001901522653002001541653000901561653002801570100002401598700001801622700001901640700002601659700002601685856012801711 2007 eng d a0167-865500aUsing pseudo amino acid composition to predict protein subnuclear localization: approached with PSSM0 aUsing pseudo amino acid composition to predict protein subnuclea aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcOCT a1610-16150 v283 a

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

10afactor solution score10amulticlass SVM10anuclear protein10aPSSM10asubnuclear localization1 aMundra, Piyushkumar1 aKumar, Madhan1 aKumar, Krishna1 aJayaraman, Valadi, K.1 aKulkarni, Bhaskar, D. uhttps://library.ncl.res.in/content/using-pseudo-amino-acid-composition-predict-protein-subnuclear-localization-approached-001311nas a2200181 4500008004100000022001400041245012200055210006900177260006800246300001200314490000700326520058000333100001900913700002400932700002100956700002600977856012601003 2007 eng d a0739-110200aUsing recurrence quantification analysis descriptors for protein sequence classification with support vector machines0 aUsing recurrence quantification analysis descriptors for protein a2066 CENTRAL AVE, SCHENECTADY, NY 12304 USAbADENINE PRESScDEC a289-2970 v253 a

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

1 aMitra, Joydeep1 aMundra, Piyushkumar1 aKulkarni, B., D.1 aJayaraman, Valadi, K. uhttps://library.ncl.res.in/content/using-recurrence-quantification-analysis-descriptors-protein-sequence-classification-002037nas a2200253 4500008004100000022001400041245011800055210006900173260007100242300001400313490000700327520109000334100002101424700002301445700002201468700001801490700002301508700002001531700003001551700002401581700002901605700001901634856013001653 2008 eng d a0743-746300aBacteria-mediated precursor-dependent biosynthesis of superparamagnetic iron oxide and iron sulfide nanoparticles0 aBacteriamediated precursordependent biosynthesis of superparamag a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcJUN a5787-57940 v243 a

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

1 aBharde, Atul, A.1 aParikh, Rasesh, Y.1 aBaidakova, Marina1 aJouen, Samuel1 aHannoyer, Beatrice1 aEnoki, Toshiaki1 aPrasad, Bhagavatula L. V.1 aShouche, Yogesh, S.1 aOgale, Satishchandra, B.1 aSastry, Murali uhttps://library.ncl.res.in/content/bacteria-mediated-precursor-dependent-biosynthesis-superparamagnetic-iron-oxide-and-iron-002025nas a2200265 4500008004100000020002200041022001400063245007900077210006900156260008300225300001200308490000900320520111100329653002901440653002701469653002601496100002101522700002401543700002301567700001101590700001701601700001801618700002101636856010201657 2008 eng d a978-0-7354-0549-3 a0094-243X00aBlob-spring model for the dynamics of ring polymer in obstacle environment0 aBlobspring model for the dynamics of ring polymer in obstacle en a2 Huntington Quadrangle, STE 1no1, Melville, NY 11747-4501 USAbSoc RheolcAUG a445-4470 v10273 a

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

10afractal polymer dynamics10alinear viscoelasticity10aring polymer dynamics1 aLele, Ashish, K.1 aIyer, Balaji, V. S.1 aJuvekar, Vinay, A.1 aCo, A.1 aLeal, L., G.1 aColby, R., H.1 aGiacomin, A., J. uhttps://library.ncl.res.in/content/blob-spring-model-dynamics-ring-polymer-obstacle-environment-001220nas a2200169 4500008004100000022001400041245013000055210006900185260011000254300001400364490000700378520045800385100002100843700002900864700003000893856012700923 2008 eng d a0959-942800aCarbon nano horn and bovine serum albumin hierarchical composite: towards bio-friendly superhydrophobic protein film surfaces0 aCarbon nano horn and bovine serum albumin hierarchical composite aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcJUN a3422-34250 v183 a

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

1 aJadhav, Anil, D.1 aOgale, Satishchandra, B.1 aPrasad, Bhagavatula L. V. uhttps://library.ncl.res.in/content/carbon-nano-horn-and-bovine-serum-albumin-hierarchical-composite-towards-bio-friendly-001091nas a2200157 4500008004100000022001400041245012300055210006900178260010600247300001400353490000700367520038500374100002200759700002200781856013000803 2008 eng d a0040-403900aCo-catalyzed mild and chemoselective reduction of phenyl esters with NaBH(4): a practical synthesis of (R)-tolterodine0 aCocatalyzed mild and chemoselective reduction of phenyl esters w aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcJUN a3790-37930 v493 a

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

1 aJagdale, Arun, R.1 aSudalai, Arumugam uhttps://library.ncl.res.in/content/co-catalyzed-mild-and-chemoselective-reduction-phenyl-esters-nabh4-practical-synthesis-r-001313nas a2200193 4500008004100000022001400041245004800055210004800103260007100151300001300222490000700235520067400242100002300916700002600939700002800965700002200993700002201015856008201037 2008 eng d a1083-616000aContinuous flow nitration of salicylic acid0 aContinuous flow nitration of salicylic acid a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcSEP a995-10000 v123 a

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

1 aKulkarni, Amol, A.1 aNivangune, Nayana, T.1 aKalyani, Vishwanath, S.1 aJoshi, Ramesh, A.1 aJoshi, Rohini, R. uhttps://library.ncl.res.in/content/continuous-flow-nitration-salicylic-acid-002090nas a2200217 4500008004100000022001400041245015900055210006900214260006700283300001200350490000700362520121000369653002101579653002401600653002001624653001801644653002801662100002901690700002401719856012901743 2008 eng d a0959-810300aCopolyester nanocomposites based on carbon nanotubes: reinforcement effect of carbon nanotubes on viscoelastic and dielectric properties of nanocomposites0 aCopolyester nanocomposites based on carbon nanotubes reinforceme a111 RIVER ST, HOBOKEN 07030-5774, NJ USAbWILEY-BLACKWELLcJAN a114-1230 v573 a

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

10aCarbon nanotubes10adielectric analysis10ananocomposites.10areinforcement10aviscoelastic properties1 aKalgaonkar, Rajendra, A.1 aJog, Jyoti, Prakash uhttps://library.ncl.res.in/content/copolyester-nanocomposites-based-carbon-nanotubes-reinforcement-effect-carbon-nanotubes-001180nas a2200217 4500008004100000022001400041245014300055210006900198260010300267300001400370490000700384520030400391653001400695653001400709653001100723653002800734100002200762700002800784700002200812856012800834 2008 eng d a0376-469900aCu(OTf)(2) catalyzed Biginelli type condensation of aldehydes, beta-keto esters and carbamates: synthesis of 3,4-dihydro[1,3]oxazin-2-ones0 aCuOTf2 catalyzed Biginelli type condensation of aldehydes betake aANUSANDHAN BHAWAN, 2 RAFI MARG, NEW DELHI, 110001, INDIAbCOUNCIL SCIENTIFIC & INDUSTRIAL REScJUL a1091-10950 v473 a

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

10aaldehydes10aCatalysts10aCopper10aMulticomponent reaction1 aJagdale, Arun, R.1 aParaskar, Abhimanyu, S.1 aSudalai, Arumugam uhttps://library.ncl.res.in/content/cuotf2-catalyzed-biginelli-type-condensation-aldehydes-beta-keto-esters-and-carbamates-001861nas a2200205 4500008004100000022001400041245005700055210005600112260010000168300001200268490000600280520114000286653002801426653002901454653001901483653001901502100002001521700002401541856009001565 2008 eng d a1788-618X00aDielectric relaxations in PVDF/BaTiO3 nanocomposites0 aDielectric relaxations in PVDFBaTiO3 nanocomposites aDEPT POLYMER ENG, MUEGYETEM RKP 3, BUDAPEST, H-1111, HUNGARYbBUDAPEST UNIV TECHNOL & ECONcAPR a294-3010 v23 a

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

10adielectric spectroscopy10aInterfacial polarization10aMWS relaxation10aNanocomposites1 aChanmal, Chetan1 aJog, Jyoti, Prakash uhttps://library.ncl.res.in/content/dielectric-relaxations-pvdfbatio3-nanocomposites-002352nas a2200181 4500008004100000022001400041245015300055210006900208260008500277300001000362490000600372520157500378100002201953700002001975700002501995700002102020856012902041 2008 eng d a1932-620300aDigestive duet: midgut digestive proteinases of manduca sexta ingesting nicotiana attenuata with manipulated trypsin proteinase inhibitor expression0 aDigestive duet midgut digestive proteinases of manduca sexta ing a185 BERRY ST, STE 1300, SAN FRANCISCO, CA 94107 USAbPUBLIC LIBRARY SCIENCEcAPR ae20080 v33 a

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

1 aZavala, Jorge, A.1 aGiri, Ashok, P.1 aJongsma, Maarten, A.1 aBaldwin, Ian, T. uhttps://library.ncl.res.in/content/digestive-duet-midgut-digestive-proteinases-manduca-sexta-ingesting-nicotiana-attenuata-001701nas a2200217 4500008004100000022001400041245017100055210006900226260005700295300001200352490000800364520082500372653002201197653003401219653001701253653000901270100002601279700001801305700002801323856013201351 2008 eng d a1011-372X00aDirect H(2)-to-H(2)O(2) oxidation in aqueous acidic medium containing Br promoter over Pd/Al(2)O(3) and Pd/C catalysts thermally pretreated under different conditions0 aDirect H2toH2O2 oxidation in aqueous acidic medium containing Br a233 SPRING ST, NEW YORK, NY 10013 USAbSPRINGERcOCT a296-3010 v1253 a

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

10aHydrogen peroxide10aoxidation of H(2) to H(2)O(2)10aPd/Al(2)O(3)10aPd/C1 aChoudhary, Vasant, R.1 aJana, Prabhas1 aBhargava, Suresh, Kumar uhttps://library.ncl.res.in/content/direct-h2-h2o2-oxidation-aqueous-acidic-medium-containing-br-promoter-over-pdal2o3-and-pdc-002048nas a2200193 4500008004100000022001400041245021600055210006900271260007300340300001400413490000600427520117000433653002201603653002901625653002801654100002601682700001801708856012801726 2008 eng d a1566-736700aDirect oxidation of H-2 to H2O2 over different supported PdO catalysts in aqueous acidic medium: Influence of the reduction, calcination temperature and support of the catalyst on its net H2O2 formation activity0 aDirect oxidation of H2 to H2O2 over different supported PdO cata aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcAPR a1624-16290 v93 a

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

10aHydrogen peroxide10aoxidation of H-2 to H2O210asupported PdO catalysts1 aChoudhary, Vasant, R.1 aJana, Prabhas uhttps://library.ncl.res.in/content/direct-oxidation-h-2-h2o2-over-different-supported-pdo-catalysts-aqueous-acidic-medium-001585nas a2200217 4500008004100000022001400041245021000055210006900265260007300334300001400407490000600421520066000427653003001087653002201117653002901139653001301168653001401181100002601195700001801221856012801239 2008 eng d a1566-736700aDirect oxidation of H-2 to H2O2 over PdO/Al2O3 catalysts in aqueous acidic medium: influence on H2O2 formation of Pd loading, calcination temperature and reduction of catalyst and presence of halide anions0 aDirect oxidation of H2 to H2O2 over PdOAl2O3 catalysts in aqueou aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcAUG a2371-23750 v93 a

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

10ahalide catalyst promoters10aHydrogen peroxide10aoxidation of H-2 to H2O210aPd/Al2O310aPdO/Al2O31 aChoudhary, Vasant, R.1 aJana, Prabhas uhttps://library.ncl.res.in/content/direct-oxidation-h-2-h2o2-over-pdoal2o3-catalysts-aqueous-acidic-medium-influence-h2o2-002986nas a2200157 4500008004100000022001400041245014600055210006900201260007100270300001400341490000700355520230500362100001802667700001902685856012402704 2008 eng d a0024-929700aDivergent nanostructures from identical ingredients: unique amphiphilic micelle template for polyaniline nanofibers, tubes, rods, and spheres0 aDivergent nanostructures from identical ingredients unique amphi a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcOCT a7706-77150 v413 a

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

1 aAnilkumar, P.1 aJayakannan, M. uhttps://library.ncl.res.in/content/divergent-nanostructures-identical-ingredients-unique-amphiphilic-micelle-template-001417nas a2200157 4500008004100000022001400041245010700055210006900162260008100231300001400312490000700326520074700333100002301080700002501103856013101128 2008 eng d a0002-782000aEffect of sintering conditions and microstructure on the magnetostrictive properties of cobalt ferrite0 aEffect of sintering conditions and microstructure on the magneto a9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLANDbBLACKWELL PUBLISHINGcJUN a1976-19800 v913 a

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

1 aBhame, Shekhar, D.1 aJoy, Pattayil, Alias uhttps://library.ncl.res.in/content/effect-sintering-conditions-and-microstructure-magnetostrictive-properties-cobalt-ferrite-002363nas a2200217 4500008004100000022001400041245009000055210006900145260007400214300001000288490000700298520158400305653002101889653002001910653002601930653001601956100002101972700001601993700001902009856011702028 2008 eng d a0167-685700aEffect of TDZ and 2, 4-D on peanut somatic embryogenesis and in vitro bud development0 aEffect of TDZ and 2 4D on peanut somatic embryogenesis and in vi aVAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDSbSPRINGERcJUL a85-900 v943 a

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

10aArachis hypogaea10aembyogenic mass10asomatic embryogenesis10athidiazuron1 aJoshi, Madhumita1 aSujatha, K.1 aHazra, Sulekha uhttps://library.ncl.res.in/content/effect-tdz-and-2-4-d-peanut-somatic-embryogenesis-and-vitro-bud-development-001994nas a2200265 4500008004100000022001400041245011300055210006900168260008900237300001200326490000700338520100100345653003201346653001801378653002701396653002101423653002201444100002201466700001801488700002101506700001901527700002501546700002701571856013001598 2008 eng d a0019-518900aEfficacy of 4-methyl-7-hydroxy coumarin derivatives against vectors aedes aegypti and culex quinquefasciatus0 aEfficacy of 4methyl7hydroxy coumarin derivatives against vectors aDR K S KRISHNAN MARG, NEW DELHI 110 012, INDIAbNATL INST SCIENCE COMMUNICATIONcNOV a788-7920 v463 a

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

10a4-Methyl-7-hydroxy coumarin10aAedes aegypti10aCulex quinquefasciatus10aLarval mortality10aOvicidal activity1 aDeshmukh, Madhavi1 aPawar, Pushpa1 aJoseph, Mary, P.1 aPhalgune, Usha1 aKashalkar, Rajashree1 aDeshpande, Nirmala, R. uhttps://library.ncl.res.in/content/efficacy-4-methyl-7-hydroxy-coumarin-derivatives-against-vectors-aedes-aegypti-and-culex-001441nas a2200217 4500008004100000022001400041245006600055210006600121260012500187300001100312490000700323520062500330100002300955700002800978700002201006700003001028700002401058700002301082700002001105856009801125 2008 eng d a0003-695100aEnhanced field emission from hexagonal rhodium nanostructures0 aEnhanced field emission from hexagonal rhodium nanostructures aCIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USAbAMER INST PHYSICScJUN a2531060 v923 a

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

1 aSathe, Bhaskar, R.1 aKakade, Bhalchandra, A.1 aMulla, Imtiaz, S.1 aPillai, Vijayamohanan, K.1 aLate, Dattatray, J.1 aMore, Mahendra, A.1 aJoag, Dilip, S. uhttps://library.ncl.res.in/content/enhanced-field-emission-hexagonal-rhodium-nanostructures-002072nas a2200241 4500008004100000022001400041245012100055210006900176260007300245300001200318490000800330520118300338653001801521653002101539653001501560653000901575100002101584700002001605700002501625700002101650700003301671856012601704 2008 eng d a0304-885300aEnhanced shape anisotropy and magneto-optical birefringence by high energy ball milling in NixFe1-xFe2O4 ferrofluids0 aEnhanced shape anisotropy and magnetooptical birefringence by hi aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcMAR a815-8200 v3203 a

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

10abirefringence10aCo-precipitation10aferrofluid10aHEBM1 aNair, Swapna, S.1 aXavier, Francis1 aJoy, Pattayil, Alias1 aKulkarni, S., D.1 aAnantharaman, Maliemadom, R. uhttps://library.ncl.res.in/content/enhanced-shape-anisotropy-and-magneto-optical-birefringence-high-energy-ball-milling-002258nas a2200229 4500008004100000022001400041245016000055210006900215260007300284300001100357490000800368520134900376653002101725653002201746653001801768653002901786653002201815653002101837100002601858700001801884856012601902 2008 eng d a0926-860X00aFactors influencing the in situ generation of hydrogen peroxide from the reduction of oxygen by hydroxylamine from hydroxylammonium sulfate over Pd/alumina0 aFactors influencing the in situ generation of hydrogen peroxide  aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcFEB a95-1020 v3353 a

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

10aH2O2 destruction10aHydrogen peroxide10ahydroxylamine10aHydroxylammonium sulfate10aPd/Al2O3 catalyst10areduction of O-21 aChoudhary, Vasant, R.1 aJana, Prabhas uhttps://library.ncl.res.in/content/factors-influencing-situ-generation-hydrogen-peroxide-reduction-oxygen-hydroxylamine-001874nas a2200241 4500008004100000022001400041245010500055210006900160260006900229300001400298490000800312520098800320653002801308653002801336653002301364653002601387100002101413700001901434700001501453700001801468700001801486856012801504 2008 eng d a1385-894700aFeasibility studies and dynamics of catalytic liquid phase esterification reactions in a micro plant0 aFeasibility studies and dynamics of catalytic liquid phase ester aPO BOX 564, 1001 LAUSANNE, SWITZERLANDbELSEVIER SCIENCE SAcJAN aS270-S2750 v1353 a

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

10achromatographic reactor10aheterogeneous catalysis10aintegrated process10amodular micro reactor1 aKulkarni, A., A.1 aZeyer, K., -P.1 aJacobs, T.1 aKaspereit, M.1 aKienle, Achim uhttps://library.ncl.res.in/content/feasibility-studies-and-dynamics-catalytic-liquid-phase-esterification-reactions-micro-001616nas a2200193 4500008004100000022001400041245014200055210006900197260007300266300001400339490000600353520080100359653003001160653002901190653003201219100002601251700001401277856013101291 2008 eng d a1566-736700aGaAlCl(x)-grafted Mont.K-10 clay: highly active and stable solid catalyst for the friedel-crafts type benzylation and acylation reactions0 aGaAlClxgrafted MontK10 clay highly active and stable solid catal aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcMAR a1101-11050 v93 a

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

10abenzoylation of aromatics10abenzylation of aromatics10aGaAlCl(x)-grafted Mont.K-101 aChoudhary, Vasant, R.1 aJha, Rani uhttps://library.ncl.res.in/content/gaalclx-grafted-montk-10-clay-highly-active-and-stable-solid-catalyst-friedel-crafts-type-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-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-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-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-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-002787nas a2200265 4500008004100000022001400041245012200055210006900177260010600246300001400352490000700366520179500373653002202168653001802190653003002208653001102238653002002249653001502269653002202284100002502306700002702331700001602358700002102374856012602395 2008 eng d a0009-250900aIdentification and characterization of flow structures in chemical process equipment using multiresolution techniques0 aIdentification and characterization of flow structures in chemic aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcNOV a5330-53460 v633 a

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

10aChemical reactors10ahydrodynamics10aLength scale distribution10amixing10aModel reduction10aTurbulence10aWavelet transform1 aDeshpande, Sagar, S.1 aJoshi, Jyeshtharaj, B.1 aKumar, Ravi1 aKulkarni, B., D. uhttps://library.ncl.res.in/content/identification-and-characterization-flow-structures-chemical-process-equipment-using-002686nas a2200265 4500008004100000022001400041245012000055210006900175260007200244300001200316490000700328520175700335653000802092653001702100653002402117653001302141100002102154700002202175700001802197700002102215700002002236700001902256700001602275856012902291 2008 eng d a0022-074400aImaging the interaction between dengue 2 virus and human blood platelets using atomic force and electron microscopy0 aImaging the interaction between dengue 2 virus and human blood p aGREAT CLARENDON ST, OXFORD OX2 6DP, ENGLANDbOXFORD UNIV PRESScJUN a113-1180 v573 a

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

10aAFM10adengue virus10aElectron microscopy10aplatelet1 aGhosh, Kanjaksha1 aGangodkar, Shobha1 aJain, Preksha1 aShetty, Shrimati1 aRamjee, Sandhya1 aPoddar, Pankaj1 aBasu, Atanu uhttps://library.ncl.res.in/content/imaging-interaction-between-dengue-2-virus-and-human-blood-platelets-using-atomic-force-001985nas a2200193 4500008004100000022001400041245007600055210006900131260007800200300001200278490000700290520129000297100002401587700001901611700002001630700001701650700002301667856010101690 2008 eng d a1462-031600aIn vitro regeneration of `Green Sweet' apple via nucellus-raised callus0 aIn vitro regeneration of Green Sweet apple via nucellusraised ca aINVICTA PRESS, ASHFORD TN24 8HH, KENT, ENGLANDbHEADLEY BROTHERS LTDcJUL a447-4520 v833 a

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

1 aJoshi, Soumai, Kant1 aBisht, Vandana1 aDhar, Uppeandra1 aJoshi, Meena1 aBisht, Anil, Kumar uhttps://library.ncl.res.in/content/vitro-regeneration-green-sweet-apple-nucellus-raised-callus-001689nas a2200169 4500008004100000022001400041245007300055210006900128260010600197300001400303490000700317520103500324100002101359700002001380700001801400856010101418 2008 eng d a0022-369700aInfluence of synthesis conditions on structural properties of MCM-480 aInfluence of synthesis conditions on structural properties of MC aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcAUG a2075-20810 v693 a

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

1 aTaralkar, U., S.1 aKasture, M., W.1 aJoshi, P., N. uhttps://library.ncl.res.in/content/influence-synthesis-conditions-structural-properties-mcm-48-002063nas a2200265 4500008004100000022001400041245012400055210006900179260007300248300001400321490000700335520112300342653002301465653001501488653001401503653001101517100002501528700001301553700002201566700002301588700002201611700002001633700001301653856013101666 2008 eng d a0167-577X00aLa0.67Ce0.03Sr0.3MnO3-coupled microwave assisted ultra-fast synthesis of nanocrystalline cobalt oxide and Bismuth oxide0 aLa067Ce003Sr03MnO3coupled microwave assisted ultrafast synthesis aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcAPR a1511-15130 v623 a

Bismuth hydroxide and Cobalt hydroxide gels were freshly prepared by adding aqueous sodium hydroxide to their corresponding nitrates under basic conditions. Then they were oven dried at 373 K and found to be amorphous in X-ray diffraction (XRD) study. They crystallized into their respective oxides by microwave irradiation (2.45 GHz) in merely 2 min using La0.67Ce0.03Sr0.3MnO3 (LCSMO) as couplant in a microwave domestic oven (similar to 100 W). This is the lowest temperature treatment and synthesis time so far reported in the literature for the formation of these systems. Formation of nanocrystallites of Bi2O3 (10 nm) and Co3O4 (15 nm) has been confirmed by XRD. Normally these hydroxides produce oxides only on heating at temperature >673 K or digesting them at 373 K for 4 - 6 hours as reported by us earlier. Microwave assisted heating proves to be a novel technology whose applications can be carefully harnessed due to its unique effects compared to the conventional heating, such as rapid volumetric heating, shortened reaction time and energy saving. (C) 2007 Elsevier B.V. All rights reserved.

10aCitrate gel method10aManganites10aMicrowave10aOxides1 aRajagopal, Rajashree1 aMona, J.1 aJoshi, Rakesh, S.1 aKale, Sangeeta, N.1 aPradhan, Sivararn1 aGaikwad, A., B.1 aRavi, V. uhttps://library.ncl.res.in/content/la067ce003sr03mno3-coupled-microwave-assisted-ultra-fast-synthesis-nanocrystalline-cobalt-001743nas a2200265 4500008004100000022001400041245015200055210006900207260007900276300001100355490000700366520078000373100001501153700001101168700001801179700002401197700002501221700002201246700001201268700001501280700001701295700001701312700001801329856013001347 2008 eng d a1098-012100aLocal electronic structure and magnetic properties of LaMn(0.5)Co(0.5)O(3) studied by x-ray absorption and magnetic circular dichroism spectroscopy0 aLocal electronic structure and magnetic properties of LaMn05Co05 aONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USAbAMER PHYSICAL SOCcMAR a1251240 v773 a

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

1 aBurnus, T.1 aHu, Z.1 aHsieh, H., H.1 aJoly, V., L. Joseph1 aJoy, Pattayil, Alias1 aHaverkort, M., W.1 aWu, Hua1 aTanaka, A.1 aLin, H., -J.1 aChen, C., T.1 aTjeng, L., H. uhttps://library.ncl.res.in/content/local-electronic-structure-and-magnetic-properties-lamn05co05o3-studied-x-ray-absorption-001785nas a2200301 4500008004100000022001400041245006900055210006900124260007900193300001400272490000700286520083700293653001101130653001301141653002301154653002401177653001101201653002201212100001401234700001901248700001901267700002101286700001801307700002401325700001801349700001301367856010301380 2008 eng d a1044-580300aLow temperature synthesis and characterization of BiNbO4 powders0 aLow temperature synthesis and characterization of BiNbO4 powders a360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USAbELSEVIER SCIENCE INCcAUG a1083-10870 v593 a

BiNbO4 powders, a potential microwave dielectric ceramic were prepared by both coprecipitation and solid state techniques. In the former method, an aqueous ammonium hydroxide was used to precipitate Bi3+ and Ta5+ cations as hydroxides simultaneously under basic conditions. It is observed that the co-precipitation produces BiNbO4 phase on heating at 600 degrees C, whereas complete phase formation occurs only at 800 degrees C in the case of solid state method. The phase contents and lattice parameters were studied by powder X-ray diffraction. The sequence of the reaction and phase evolution of BiNbO4 were also studied by the X-ray diffraction. The samples were characterized by the differential-thermal/thermo-gravimetric analyses and scanning electron microscopy techniques. (C) 2007 Elsevier Inc. All rights reserved.

10aBiNbO410aCeramics10aChemical synthesis10aElectron microscopy10aOxides10aX-ray diffraction1 aRadha, R.1 aMuthurajan, H.1 aRao, Koteswara1 aPradhan, Sivaram1 aGupta, U., N.1 aJha, Ratnesh, Kumar1 aMirji, S., A.1 aRavi, V. uhttps://library.ncl.res.in/content/low-temperature-synthesis-and-characterization-binbo4-powders-001815nas a2200217 4500008004100000022001400041245010800055210006900163260010600232300001400338490000700352520096600359653002301325653002301348653002401371653001901395653001101414100001701425700002501442856013001467 2008 eng d a0025-540800aLow temperature synthesis of nanocrystalline lithium ferrite by a modified citrate gel precursor method0 aLow temperature synthesis of nanocrystalline lithium ferrite by  aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcDEC a3447-34560 v433 a

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

10aChemical synthesis10aMagnetic materials10amagnetic properties10aNanostructures10aOxides1 aVerma, Seema1 aJoy, Pattayil, Alias uhttps://library.ncl.res.in/content/low-temperature-synthesis-nanocrystalline-lithium-ferrite-modified-citrate-gel-precursor-001672nas a2200253 4500008004100000022001400041245007900055210006900134260007300203300001200276490000700288520080200295653002301097653002401120653002501144653002201169100001901191700001801210700001901228700002101247700002401268700001301292856011301305 2008 eng d a0167-577X00aLow temperature synthesis of SrNb2O6 and SrTa2O6 using hydroxide precursor0 aLow temperature synthesis of SrNb2O6 and SrTa2O6 using hydroxide aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcMAR a892-8940 v623 a

SrNb2O6 (SN) or SrTA(2)O(6) (ST) compounds were prepared at low temperatures for the first time from hydroxide precursors. A simple procedure of mixing commercially purchased strontium hydroxide and niobium (or tantalum) hydroxide thoroughly together and heating at a low temperature (<400 degrees C) produced SrNb2O6 (SN) or SrTa2O6 (ST) powders. This is the lowest temperature so far reported for the formation of these phases. These materials are potential candidates for ferroelectric and electro-optic applications. The reaction sequence and evolution of the phase formation were investigated by X-ray diffraction (XRD) studies. The average particle size and morphology of these powders were studied by scanning electron microscopy (SEM). (C) 2007 Elsevier B.V. All rights reserved.

10aChemical synthesis10aElectron microscopy10aelectronic materials10aX-ray diffraction1 aMuthurajan, H.1 aKumar, H., H.1 aRao, Koteswara1 aPradhan, Sivaram1 aJha, Ratnesh, Kumar1 aRavi, V. uhttps://library.ncl.res.in/content/low-temperature-synthesis-srnb2o6-and-srta2o6-using-hydroxide-precursor-001727nas a2200229 4500008004100000022001400041245011400055210006900169260007400238300001100312490000800323520088300331653001201214653002401226653002701250653001801277100001501295700001901310700001801329700002501347856012501372 2008 eng d a0304-384300aMagnetic and Mossbauer spectroscopic studies of NiZn ferrite nanoparticles synthesized by a combustion method0 aMagnetic and Mossbauer spectroscopic studies of NiZn ferrite nan aVAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDSbSPRINGERcAPR a99-1070 v1833 a

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

10aFerrite10amagnetic properties10aMossbauer spectroscopy10aNanoparticles1 aSreeja, V.1 aVijayanand, S.1 aDeka, Sasanka1 aJoy, Pattayil, Alias uhttps://library.ncl.res.in/content/magnetic-and-mossbauer-spectroscopic-studies-nizn-ferrite-nanoparticles-synthesized-001788nas a2200289 4500008004100000022001400041245012300055210006900178260007300247300001200320490000700332520081000339653002301149653000901172653001501181653001401196653001101210100002301221700002501244700001301269700001901282700002201301700002501323700002201348700001301370856011501383 2008 eng d a0167-577X00aMicrowave assisted low temperature rapid synthesis of manganite system using La0.67Ce0.03Sr0.3MnO3 mini-cavity furnace0 aMicrowave assisted low temperature rapid synthesis of manganite  aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcJAN a191-1930 v623 a

Amorphous La0.7Sr0.3MnO3 (LSMO) and La0.7Ca0.3MnO3 (LCMO) precursor powders synthesized by the citrate gel method at 673 K, have been found to crystallize by microwave irradiation in just 60 s using La0.67Ce0.03Sr0.3MnO3 (Ce-LSMO) as couplant. This is the lowest temperature treatment and synthesis time so far reported in literature for the fort-nation of manganite systems. Using ceramic route, the same amorphous samples crystallize on heat treatment only at temperatures greater than 1000 K. The microwave heating through this method is novel and has tremendous potential for accelerating the evolution of the product phase in very shorter durations, with just low temperature processing of the precursors, which cannot be realized in normal process. (c) 2007 Elsevier B.V. All rights reserved.

10aCitrate gel method10aLSMO10aManganites10aMicrowave10aOxides1 aKale, Sangeeta, N.1 aRajagopal, Rajashree1 aMona, J.1 aLondhe, D., P.1 aJoshi, Rakesh, S.1 aJagadale, Tushar, C.1 aSatyanarayana, C.1 aRavi, V. uhttps://library.ncl.res.in/content/microwave-assisted-low-temperature-rapid-synthesis-manganite-system-using-001930nas a2200205 4500008004100000022001400041245011400055210006900169260006800238300001400306490000700320520114300327653000901470653002601479653001901505653001501524100002901539700002401568856013201592 2008 eng d a0887-626600aMolecular dynamics of copolyester/clay nanocomposites as investigated by viscoelastic and dielectric analysis0 aMolecular dynamics of copolyesterclay nanocomposites as investig a111 RIVER ST, HOBOKEN, NJ 07030 USAbJOHN WILEY & SONS INCcDEC a2539-25550 v463 a

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

10aclay10aDielectric relaxation10aNanocomposites10apolyesters1 aKalgaonkar, Rajendra, A.1 aJog, Jyoti, Prakash uhttps://library.ncl.res.in/content/molecular-dynamics-copolyesterclay-nanocomposites-investigated-viscoelastic-and-dielectric-001437nas a2200241 4500008004100000022001400041245011500055210006900170260007300239300001400312490000800326520051500334653002500849653001900874653002800893653003000921653002400951653002000975100002100995700002601016700002101042856013201063 2008 eng d a0377-221700aMulticanonical jump walk annealing assisted by tabu for dynamic optimization of chemical engineering processes0 aMulticanonical jump walk annealing assisted by tabu for dynamic  aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcMAR a1213-12290 v1853 a

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

10adynamic optimization10ametaheuristics10aMonte Carlo simulations10amulticanonical algorithms10asimulated annealing10atabu conditions1 aShelokar, P., S.1 aJayaraman, Valadi, K.1 aKulkarni, B., D. uhttps://library.ncl.res.in/content/multicanonical-jump-walk-annealing-assisted-tabu-dynamic-optimization-chemical-engineering-000923nas a2200181 4500008004100000245009400041210006900135260000800204300001600212520025700228100002200485700002200507700001700529700002300546700002100569700002400590856012700614 2008 eng d00aMultiple weak supramolecular interactions stabilize a surprisingly twisted As2L3 assembly0 aMultiple weak supramolecular interactions stabilize a surprising cOCT a3936 - 39383 aA combined crystallographic, DFT and NMR spectroscopic study of a flexible As(2)(3) assembly reveals temperature dependent conformational behavior in solution and a highly asymmetric structure stabilized by As-pi and edge-to-face aromatic interactions.1 aPitt, Melanie, A.1 aZakharov, Lev, N.1 aVanka, Kumar1 aThompson, Ward, H.1 aLaird, Brian, B.1 aJohnson, Darren, W. uhttps://library.ncl.res.in/content/multiple-weak-supramolecular-interactions-stabilize-surprisingly-twisted-as2l3-assembly02430nas a2200241 4500008004100000022001400041245015300055210006900208260007300277300001200350490000800362520146900370653001301839653002901852653004101881653002301922653003401945100002601979700001802005700001802023700001902041856012802060 2008 eng d a0926-860X00aNano-gold supported on Fe2O3: a highly active catalyst for low temperature oxidative destruction of methane green house gas from exhaust/waste gases0 aNanogold supported on Fe2O3 a highly active catalyst for low tem aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcNOV a186-1900 v3503 a

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

10aAu/Fe2O310aDeposition precipitation10aHomogeneous deposition precipitation10aMethane combustion10aSupported nano-gold catalysts1 aChoudhary, Vasant, R.1 aPatil, V., P.1 aJana, Prabhas1 aUphade, B., S. uhttps://library.ncl.res.in/content/nano-gold-supported-fe2o3-highly-active-catalyst-low-temperature-oxidative-destruction-002174nas a2200217 4500008004100000022001400041245010000055210006900155260007100224300001600295490000800311520133400319100002501653700002501678700002701703700002601730700002301756700002101779700002901800856012701829 2008 eng d a1932-744700aN-doped TiO2 nanoparticle based visible light photocatalyst by modified peroxide sol-gel method0 aNdoped TiO2 nanoparticle based visible light photocatalyst by mo a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcSEP a14595-146020 v1123 a

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

1 aJagadale, Tushar, C.1 aTakale, Shrikant, P.1 aSonawane, Ravindra, S.1 aJoshi, Hrushikesh, M.1 aPatil, Shankar, I.1 aKale, Bharat, B.1 aOgale, Satishchandra, B. uhttps://library.ncl.res.in/content/n-doped-tio2-nanoparticle-based-visible-light-photocatalyst-modified-peroxide-sol-gel-002190nas a2200253 4500008004100000022001400041245012200055210006900177260010600246300001200352490000700364520123300371653001601604653002501620653002101645653001601666653002501682653001501707653001401722100002401736700001601760700002801776856013201804 2008 eng d a0277-538700aNonaqueous synthesis and characterization of capped alpha-Fe2O3 nanoparticles from iron(III) hydroxy-oleate precursor0 aNonaqueous synthesis and characterization of capped alphaFe2O3 n aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcFEB a933-9380 v273 a

The synthesis of capped alpha-Fe2O3 nanoparticles from thermal treatment of iron (III) hydroxy-oleate in boiling organic solvents around 250 degrees C with retention of the integrity of the oleate units during the reaction process is reported. The formation of capped iron oxide particles is accomplished under aerobic conditions while the solvents used in the synthesis have strong influence on the nature and morphology of nanoparticles. These nanoparticles are studied by means of X-ray powder diffraction, IR and XPS while the morphology and particle size of nanocrystals are evaluated using SEM and TEM analysis suggesting the formation of monocrystalline alpha-Fe2O3 particles having cubical and spherical morphologies with sizes ranging from 20 to 30 nm. This organophilic material with oleate capping around the surfaces can be readily dispersed in organic solvents thus forming organosols. These organosols exhibit band-edge emission photoluminescence band both in toluene as well as in solid state while FT-IR analysis reveals formation oleate capped nanoparticles The XPS data indicate ferric state having doublet from Fe 2P(3/2) and Fe 2p(1/2) core-level electrons. (c) 2007 Elsevier Ltd. All rights reserved.

10aalpha-Fe2O310acapped nanoparticles10acubic morphology10aferrofluids10anonaqueous synthesis10aOleic acid10aorganosol1 aChikate, Rajeev, C.1 aJun, Ki-Won1 aRode, Chandrasekhar, V. uhttps://library.ncl.res.in/content/nonaqueous-synthesis-and-characterization-capped-alpha-fe2o3-nanoparticles-ironiii-hydroxy-002275nas a2200217 4500008004100000022001400041245015900055210006900214260007300283300001000356490000800366520142200374653001001796653002801806653001701834100002001851700001901871700002401890700002001914856012301934 2008 eng d a1387-181100aNon-isothermal kinetic studies of the template decomposition from silicalite-1 framework-high temperature X-ray diffraction and thermogravimetric analysis0 aNonisothermal kinetic studies of the template decomposition from aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcAUG a64-710 v1133 a

Non-isothermal decomposition of the tetrapropylammonium cations (TPA(+)) intercalated in silicalite-1 framework has been carried out using thermogravimetric (TG) analysis and high temperature powder X-ray diffraction (HTXRD) techniques. Conversion factor for template decomposition is calculated using two methods viz., % weight loss from the thermogravimetric analysis and changes in the intensities of the Bragg reflections 101/011 and 200/020 in the HTXRD patterns scanned at different temperatures (range 298823 K). The calculated apparent activation energy for template decomposition in air was 129 and 125 kJ mol(-1), respectively, for the two techniques TG and HTXRD, calculated using the Kissinger method. By Flynn-Wall-Ozawa approach of isoconversion, apparent activation energy for template decomposition in air was 123 and 124 U mol-1, respectively, for TG and HTXRD data. The reaction order was determined using the method of Kennedy and Clark and it is similar to 2 by both the techniques. The second order of template decomposition can be attributed to the fact that TPA+ is positioned in two different orientations inside the silicalite-1 framework. Template removal occurs with a contraction in unit cell dimensions. There is a decrease in the lattice parameters of the as-synthesized silicalite-1 sample after removal of template from the framework. (C) 2007 Elsevier Inc. All rights reserved.

10aHTXRD10anon-isothermal kinetics10aSilicalite-11 aBhange, Deu, S.1 aPandya, N., A.1 aJha, Ratnesh, Kumar1 aRamaswamy, Veda uhttps://library.ncl.res.in/content/non-isothermal-kinetic-studies-template-decomposition-silicalite-1-framework-high-002155nas a2200289 4500008004100000022001400041245008800055210006900143260010600212300001400318490000700332520116500339653001301504653002301517653002401540653001101564653002201575100001901597700001901616700001801635700002101653700002401674700001801698700001801716700001301734856011801747 2008 eng d a0025-540800aNovel hydroxide precursors for low temperature synthesis of selected ternary oxides0 aNovel hydroxide precursors for low temperature synthesis of sele aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcJUL a1842-18490 v433 a

A novel method of using hydroxide precursors to reduce the synthesis temperature for few selected ternary oxides has been presented here. This technique is very useful and advantageous when the ternary oxides contain an alkaline earth element. The selected compositions for this method are BaCeO3 (BC), BaBiO3 (BB), La0.7Sr0.3CoO3 (LSCO) and BaBi2Nb2O9 (BBN). Commercially purchased strontium (or barium) hydroxide and freshly prepared lanthanum, cobalt, bismuth and niobium hydroxides were mixed thoroughly in stoichiometric ratio and heated at different temperatures ranging from 100 to 700 degrees C for 10 h for corresponding compositions. The sequence of the reaction and evolution of the product phase were studied by the X-ray diffraction (XRD) studies. The phase purity and lattice parameters were also determined by XRD investigations. All the product phases in each case were formed at relatively low temperature than when they were prepared by co-precipitation or solid state method. The morphology and average particle size of these powders were investigated by scanning electron microscopy (SEM). (C) 2007 Elsevier Ltd. All rights reserved.

10aCeramics10aChemical synthesis10aElectron microscopy10aOxides10aX-ray diffraction1 aMuthurajan, H.1 aRao, Koteswara1 aGupta, U., N.1 aPradhan, Sivaram1 aJha, Ratnesh, Kumar1 aKumar, H., H.1 aMirji, S., A.1 aRavi, V. uhttps://library.ncl.res.in/content/novel-hydroxide-precursors-low-temperature-synthesis-selected-ternary-oxides-001882nas a2200205 4500008004100000022001400041245006800055210006800123260008100191300001200272490000600284520115900290100002501449700001901474700002101493700002401514700002401538700001701562856009701579 2008 eng d a1546-542X00aNovel synthesis of SrBi2Nb2O9 powders from hydroxide precursors0 aNovel synthesis of SrBi2Nb2O9 powders from hydroxide precursors a9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLANDbBLACKWELL PUBLISHINGcJAN a101-1040 v53 a

Simple hydroxide precursors were used for the first time for the synthesis of a typical Aurivillius compound (SrBi2Nb2O9 (SBN)) at a low temperature. This method is very advantageous because it circumvents the use of SrCO3 in the case of conventional ceramics as well in the coprecipitation methods, thereby lowering the formation of the product phase. Commercially purchased strontium hydroxide is mixed thoroughly with freshly precipitated bismuth and niobium hydroxides in a stoichiometric ratio and heated at different temperatures ranging from 100 degrees C to 750 degrees C for 12 h. The sequence of the reaction and evolution of the product phase was monitored by X-ray diffraction (XRD) studies by recording the XRD for samples calcined at different temperatures. The incipient SBN phase begins to form at temperatures as low as 400 degrees C, and phase formation was complete only at 650 degrees C as revealed by the XRD observations. The differential thermal/thermogravimetric analyses) also corroborate this result. The morphology and average particle size of these powders were investigated by transmission electron microscopy studies.

1 aGupta, Upendra, Nath1 aRao, Koteswara1 aPradhan, Sivaram1 aJha, Ratnesh, Kumar1 aMuthurajan, Harries1 aRavi, Venkat uhttps://library.ncl.res.in/content/novel-synthesis-srbi2nb2o9-powders-hydroxide-precursors-002105nas a2200265 4500008004100000022001400041245009600055210006900151260006900220300001200289490000700301520118700308653002801495653002001523653001701543653001301560653001701573653001301590100002001603700002201623700002601645700002101671700001701692856013001709 2008 eng d a1369-703X00aOptimal xylanase production using Penicilium janthinellum NCIM 1169: a model based approach0 aOptimal xylanase production using Penicilium janthinellum NCIM 1 aPO BOX 564, 1001 LAUSANNE, SWITZERLANDbELSEVIER SCIENCE SAcJUN a348-3560 v403 a

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

10aArtificial intelligence10aEnzyme activity10aFermentation10aModeling10aOptimization10aXylanase1 aMeshram, Mukesh1 aKulkarni, Abhijit1 aJayaraman, Valadi, K.1 aKulkarni, B., D.1 aLele, S., S. uhttps://library.ncl.res.in/content/optimal-xylanase-production-using-penicilium-janthinellum-ncim-1169-model-based-approach-001552nas a2200205 4500008004100000022001400041245010000055210006900155260007300224300001200297490000800309520076700317653002301084653001701107653001801124653002401142100002801166700002901194856012301223 2008 eng d a0920-586100aPdCl2(bipy) complex - an efficient catalyst for Heck reaction in glycol-organic biphasic medium0 aPdCl2bipy complex an efficient catalyst for Heck reaction in gly aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcFEB a353-3590 v1313 a

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

10aBiphasic catalysis10aC-C coupling10aHeck reaction10aPdCl2(bipy) complex1 aJagtap, Sangeeta, Vijay1 aDeshpande, Raj, Madhukar uhttps://library.ncl.res.in/content/pdcl2bipy-complex-efficient-catalyst-heck-reaction-glycol-organic-biphasic-medium-002189nas a2200229 4500008004100000022001400041245010800055210006900163260010600232300001400338490000700352520131000359653002501669653001901694653002201713100002001735700001901755700001901774700002001793700001801813856012801831 2008 eng d a0025-540800aPhotocatalytic decomposition of methylene nanocrystalline titania prepared by different blue on methods0 aPhotocatalytic decomposition of methylene nanocrystalline titani aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcMAY a1145-11520 v433 a

Nanocrystalline particles of pure anatase titania were prepared by two different methods. One is the sol-gel method at ambient temperature using ultrasonication (TiO2-SG-US) and conventional stirring method (TiO2-SG-S) and the other by surfactant assisted hydrothermal synthesis (TiO2-HT). More uniform distribution/dispersion of the nanoparticles (SEM), marginally higher surface area, better thermal stability and phase purity are some of the advantages of preparation of nanocrystalline titania by sol gel ultrasonication method and hydrothermal synthesis method. The behavior of anatase titania in photocatalytic decomposition of methylene blue in aqueous medium was studied as a function of the method of preparation and the crystallite size. The nanoparticles prepared by ultrasonication method were more effective than both, the sample prepared by conventional stirring method and commercial Degussa P-25. The higher photocatalytic activity of TiO2-SG-US is attributed to the more uniform size of the particles as compared to TiO2-SG-S samples. Both TEM and XRD data on TiO2-HT samples reveal a uniform and nanocrystalline TiO2 particles, which showed photocatalytic activity in both UV and visible region although brookite phase was also present. (C) 2007 Elsevier Ltd. All rights reserved.

10aCatalytic properties10aNanostructures10aSol-gel chemistry1 aRamaswamy, Veda1 aJagtap, Neelam1 aVijayanand, S.1 aBhange, Deu, S.1 aAwati, Preeti uhttps://library.ncl.res.in/content/photocatalytic-decomposition-methylene-nanocrystalline-titania-prepared-different-blue-001712nas a2200253 4500008004100000022001400041245009000055210006900145260008600214300001200300490000700312520081400319653001201133653002301145653002101168653002001189653001101209653001901220100001801239700001901257700002501276700003301301856012401334 2008 eng d a0360-255900aPhysicomechanical and magnetic properties of neoprene based rubber ferrite composites0 aPhysicomechanical and magnetic properties of neoprene based rubb a325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USAbTAYLOR & FRANCIS INCcJAN a137-1460 v473 a

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

10aFerrite10aferrite composites10aflexible magnets10aneoprene rubber10arubber10aSol-gel method1 aPrema, K., H.1 aKurian, Philip1 aJoy, Pattayil, Alias1 aAnantharaman, Maliemadom, R. uhttps://library.ncl.res.in/content/physicomechanical-and-magnetic-properties-neoprene-based-rubber-ferrite-composites-001494nas a2200157 4500008004100000022001400041245004900055210004300104260008900147300000800236520093600244100002401180700002501204700002401229856008301253 2008 eng d a1618-722900aPoly(4-methyl-1-pentene)/MWNT nanocomposites0 aPoly4methyl1penteneMWNT nanocomposites a1, QUAI LEZAY-MARNESIA, F067000 STRASBOURG, FRANCEbEUROPEAN POLYMER FEDERATIONcJUL a0793 a

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

1 aPatil, Prashant, A.1 aWanjale, Santosh, D.1 aJog, Jyoti, Prakash uhttps://library.ncl.res.in/content/poly4-methyl-1-pentenemwnt-nanocomposites-002521nas a2200277 4500008004100000022001400041245012800055210006900183260007300252300001200325490000700337520149500344653003001839653002601869653002401895653001901919100002001938700002801958700001401986700001702000700002602017700002102043700003102064700002002095856012802115 2008 eng d a0924-857900aPotential plasmid-curing agent, 8-epidiosbulbin E acetate, from dioscorea bulbifera L. against multidrug-resistant bacteria0 aPotential plasmidcuring agent 8epidiosbulbin E acetate from dios aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcNOV a405-4100 v323 a

Bioassay-guided fractionation of an aqueous methanolic extract of Dioscorea bulbifera L. bulbs was performed using organic solvents. A novel plasmid-curing compound was identified as 8-epidiosbulbin E acetate (EEA) (norditerpene) on the basis of modern spectroscopic analysis and X-ray crystallography. EEA exhibited broad-spectrum plasmid-curing activity against multidrug-resistant (MDR) bacteria, including vancomycin-resistant enterococci. EEA cured antibiotic resistance plasmids (R-plasmids) from clinical isolates of Enterococcus faecalis, Escherichia coli, Shigella sonnei and Pseudomonas aeruginosa with 12-48% curing efficiency. The reference plasmids of Bacillus subtilis (pUB110), E. coli (RP4), P. aeruginosa (RIP64) and Salmonella typhi (R136) were cured with efficiency ranging from 16% to 64%. EEA-mediated R-plasmid curing decreased the minimal inhibitory concentration of antibiotics against MDR bacteria, thus making antibiotic treatment more effective. The antibiotic resistance pattern revealed that the compound was effective in the reversal of bacterial resistance to various antibiotics. In addition, the compound did not show any cytotoxicity against a broad range of human cancer cell lines, namely MCF-7 (breast cancer), SiHa (cervical cancer) and A431 (epidermal carcinoma), and hence has the potential to be used as a lead compound for drug discovery programmes. (C) 2008 Elsevier B. V. and the International Society of Chemotherapy. All rights reserved.

10a8-Epidiosbulbin E acetate10aAntibiotic resistance10aDioscorea bulbifera10aPlasmid curing1 aShriram, Varsha1 aJahagirdar, Sheetal, S.1 aLatha, C.1 aKumar, Vinay1 aPuranik, Vedavati, G.1 aRojatkar, Supada1 aDhakephalkar, Prashant, K.1 aShitole, M., G. uhttps://library.ncl.res.in/content/potential-plasmid-curing-agent-8-epidiosbulbin-e-acetate-dioscorea-bulbifera-l-against-001617nas a2200205 4500008004100000022001400041245007100055210006900126260010000195300001200295490000600307520087300313653002701186653002001213653001801233653001301251100002101264700002401285856010201309 2008 eng d a1788-618X00aPreparation and characterization of electrospun fibers of nylon 110 aPreparation and characterization of electrospun fibers of nylon  aDEPT POLYMER ENG, MUEGYETEM RKP 3, BUDAPEST, H-1111, HUNGARYbBUDAPEST UNIV TECHNOL & ECONcAUG a540-5450 v23 a

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

10abiocompatible polymers10aelectrospinning10aNanomaterials10aNylon 111 aDhanalakshmi, M.1 aJog, Jyoti, Prakash uhttps://library.ncl.res.in/content/preparation-and-characterization-electrospun-fibers-nylon-11-001663nas a2200253 4500008004100000022001400041245014500055210006900200260007300269300001200342490000700354520072000361653001701081653002001098653001101118653001701129653001701146100002501163700002201188700002501210700002101235700002601256856012701282 2008 eng d a1369-703X00aProduction and single step purification of cyclodextrin glycosyltransferase from alkalophilic bacillus firmus by ion exchange chromatography0 aProduction and single step purification of cyclodextrin glycosyl aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcMAY a510-5150 v393 a

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

10aalkalophilic10aBacillus firmus10aCGTase10acyclodextrin10aPurification1 aSavergave, Laman, S.1 aMule, Santosh, S.1 aJogdand, Vitthal, V.1 aNene, Sanjay, N.1 aGadre, Ramchandra, V. uhttps://library.ncl.res.in/content/production-and-single-step-purification-cyclodextrin-glycosyltransferase-alkalophilic-001547nas a2200229 4500008004100000022001400041245012800055210006900183260007300252300001200325490000800337520068400345100001701029700002501046700001701071700001701088700002101105700001801126700002901144700001701173856012701190 2008 eng d a0009-261400aRapid phase-controlled microwave synthesis of nanostructured hierarchical tetragonal and cubic beta-In2S3 dandelion flowers0 aRapid phasecontrolled microwave synthesis of nanostructured hier aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcFEB a301-3050 v4523 a

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

1 aNaik, S., D.1 aJagadale, Tushar, C.1 aApte, S., K.1 aSonawane, S.1 aKulkarni, M., V.1 aPatil, S., I.1 aOgale, Satishchandra, B.1 aKale, B., B. uhttps://library.ncl.res.in/content/rapid-phase-controlled-microwave-synthesis-nanostructured-hierarchical-tetragonal-and-001813nas a2200277 4500008004100000022001400041245007000055210006400125260006900189300001400258490000800272520089200280653002401172653001801196653002901214653002001243653001401263100002101277700002401298700002501322700002301347700002201370700003001392700002001422856009301442 2008 eng d a0040-609000aRuO(2) doped SnO(2) nanobipyramids on Si (100) as a field emitter0 aRuO2 doped SnO2 nanobipyramids on Si 100 as a field emitter aPO BOX 564, 1001 LAUSANNE, SWITZERLANDbELSEVIER SCIENCE SAcJUL a6388-63910 v5163 a

Thin films of RuO(2): SnO(2) nanobipyramids have been grown on silicon (100) flat substrates, and their field emission behavior has been investigated. The field emission experiments have been performed in parallel plate configuration. In this experiment, the onset field for 0. 1 gA/ cm 2 current density has been found to be 0.2 V/mu m. The Fowler-Nordheim plot shows non-linear nature typical that of a semiconductor. The field enhancement factor has been estimated to be 35,600 cm(-1), indicating that the field emission originates from the nanometric features of the emitter. The current stability recorded at a preset value of I tA is observed to be good. Our field emission results on RuO(2): SnO(2) nanobipyramids indicate that, RuO(2): SnO(2) nanobipyramids are a potential candidate for futuristic field emission based devices. (c) 2008 Elsevier B.V. All rights reserved.

10adoped semiconductor10afield emitter10afield enhancement factor10aruthenium oxide10atin oxide1 aBhise, Ashok, B.1 aLate, Dattatray, J.1 aRamgir, Niranjan, S.1 aMore, Mahendra, A.1 aMulla, Imtiaz, S.1 aPillai, Vijayamohanan, K.1 aJoag, Dilip, S. uhttps://library.ncl.res.in/content/ruo2-doped-sno2-nanobipyramids-si-100-field-emitter-001786nas a2200289 4500008004100000022001400041245015900055210006900214260010600283300001200389490000700401520064700408653001501055653003001070653003901100653002101139653003401160100002501194700002101219700002001240700002301260700002601283700002001309700001901329700002201348856012601370 2008 eng d a0042-207X00aScanning tunneling microscopic and field emission microscopic studies of nanostructured molybdenum film synthesized by electron cyclotron resonance plasma0 aScanning tunneling microscopic and field emission microscopic st aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcSEP a435-4430 v833 a

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

10aECR plasma10aField emission microscopy10aHollow cathode chemical sputtering10aMo nanoparticles10aScanning tunneling microscopy1 aPurohit, Vishwas, S.1 aBhise, Ashok, B.1 aDey, Shirshendu1 aMore, Mahendra, A.1 aDharmadhikari, C., V.1 aJoag, Dilip, S.1 aPasricha, Renu1 aBhoraskar, S., V. uhttps://library.ncl.res.in/content/scanning-tunneling-microscopic-and-field-emission-microscopic-studies-nanostructured-001293nas a2200253 4500008004100000022001400041245016900055210006900224260007300293300001200366490000700378520038500385653000800770653001600778653000900794653000800803653001200811653001800823653000900841100002600850700001400876700001800890856013100908 2008 eng d a1566-736700aSelective epoxidation of styrene to styrene oxide by TBHP using simple transition metal oxides (NiO, CoO or MoO3) as highly active environmentally-friendly catalyst0 aSelective epoxidation of styrene to styrene oxide by TBHP using  aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcNOV a205-2070 v103 a

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

10aCoO10aepoxidation10aMoO310aNiO10astyrene10aStyrene oxide10aTBHP1 aChoudhary, Vasant, R.1 aJha, Rani1 aJana, Prabhas uhttps://library.ncl.res.in/content/selective-epoxidation-styrene-styrene-oxide-tbhp-using-simple-transition-metal-oxides-nio-001694nas a2200217 4500008004100000022001400041245007100055210006900126260007600195300001400271490000700285520093700292653001401229653001601243653002701259100002301286700002101309700002301330700002101353856010201374 2008 eng d a0887-626600aSelf-diffusion coefficient of ring polymers in semidilute solution0 aSelfdiffusion coefficient of ring polymers in semidilute solutio aCOMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USAbWILEY-BLACKWELLcNOV a2370-23790 v463 a

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

10aDiffusion10aMacrocycles10aMonte Carlo simulation1 aIyer, Balaj, V. S.1 aShanbhag, Sachin1 aJuvekar, Vinay, A.1 aLele, Ashish, K. uhttps://library.ncl.res.in/content/self-diffusion-coefficient-ring-polymers-semidilute-solution-002173nas a2200193 4500008004100000022001400041245012500055210006900180260007100249300001600320490000800336520139700344100001501741700001901756700001701775700003201792700002501824856013001849 2008 eng d a1932-744700aSize dependent coordination behavior and cation distribution in MgAl2O4 nanoparticles from Al-27 solid state NMR studies0 aSize dependent coordination behavior and cation distribution in  a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcSEP a14737-147440 v1123 a

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

1 aSreeja, V.1 aSmitha, T., S.1 aNand, Deepak1 aAjithkumar, Thalasseril, G.1 aJoy, Pattayil, Alias uhttps://library.ncl.res.in/content/size-dependent-coordination-behavior-and-cation-distribution-mgal2o4-nanoparticles-al-27-002179nas a2200241 4500008004100000022001400041245011500055210006900170260006800239300001400307490000700321520131700328653001001645653002401655653001801679653002101697653001801718653002201736653001801758100001401776700001901790856012801809 2008 eng d a0887-624X00aSolvent-free and nonisocyanate melt transurethane reaction for aliphatic polyurethanes and mechanistic aspects0 aSolventfree and nonisocyanate melt transurethane reaction for al a111 RIVER ST, HOBOKEN, NJ 07030 USAbJOHN WILEY & SONS INCcAPR a2445-24580 v463 a

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

10aMALDI10amelt polymerization10anonisocyanate10aPolycondensation10apolyurethanes10athermal stability10atransurethane1 aDeepa, P.1 aJayakannan, M. uhttps://library.ncl.res.in/content/solvent-free-and-nonisocyanate-melt-transurethane-reaction-aliphatic-polyurethanes-and-001322nas a2200145 4500008004100000245005700041210005700098260010900155300001200264490000600276520077100282100001801053700001601071856008901087 2008 eng d00aStudies on ZnO based diluted magnetic semiconductors0 aStudies on ZnO based diluted magnetic semiconductors aNew Orleans, LAbMinerals, Metals & Materials Soc, 184 Thorn Hill Rd, Warrendale, PA 15086-7514 USAcMAR a373-3780 v33 a

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

1 aDeka, Sasanka1 aJoy, P., A. uhttps://library.ncl.res.in/content/studies-zno-based-diluted-magnetic-semiconductors02244nas a2200265 4500008004100000022001400041245013100055210006900186260005700255300001200312490000600324520126300330653002701593653001201620653001801632653002501650653002201675100002901697700002401726700002801750700002201778700002001800700002601820856013201846 2008 eng d a1931-757300aSulfur nanoparticles synthesis and characterization from H2S gas, using novel biodegradable iron chelates in w/o microemulsion0 aSulfur nanoparticles synthesis and characterization from H2S gas a233 SPRING ST, NEW YORK, NY 10013 USAbSPRINGERcJUN a221-2290 v33 a

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

10aAntimicrobial activity10aH2S gas10airon chelates10asulfur nanoparticles10aw/o microemulsion1 aDeshpande, Aniruddha, S.1 aKhomane, Ramdas, B.1 aVaidya, Bhalchandra, K.1 aJoshi, Renuka, M.1 aHarle, Arti, S.1 aKulkarni, Bhaskar, D. uhttps://library.ncl.res.in/content/sulfur-nanoparticles-synthesis-and-characterization-h2s-gas-using-novel-biodegradable-iron-001416nas a2200205 4500008004100000022001400041245008100055210006900136260009500205300001400300490000600314520065400320653002200974653002000996653002301016653001701039100001801056700002501074856011101099 2008 eng d a1533-488000aSuperparamagnetic nanocrystalline ZnFe2O4 with a very high curie temperature0 aSuperparamagnetic nanocrystalline ZnFe2O4 with a very high curie a25650 NORTH LEWIS WAY, STEVENSON RANCH, CA 91381-1439 USAbAMER SCIENTIFIC PUBLISHERScAUG a3955-39580 v83 a

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

10aCurie temperature10aNanocrystalline10aSuperparamagnetism10aZinc Ferrite1 aDeka, Sasanka1 aJoy, Pattayil, Alias uhttps://library.ncl.res.in/content/superparamagnetic-nanocrystalline-znfe2o4-very-high-curie-temperature-001902nas a2200253 4500008004100000022001400041245013400055210006900189260010600258300001400364490000700378520091400385653001801299653001601317653000801333653004501341653003601386100002201422700001801444700002101462700002601483700002101509856011801530 2008 eng d a0301-932200aSVR-based prediction of point gas hold-up for bubble column reactor through recurrence quantification analysis of LDA time-series0 aSVRbased prediction of point gas holdup for bubble column reacto aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcDEC a1099-11070 v343 a

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

10aBubble column10aGas hold-up10aLDA10aRecurrence quantification analysis (RQA)10aSupport vector regression (SVR)1 aGandhi, Ankit, B.1 aJoshi, J., B.1 aKulkarni, A., A.1 aJayaraman, Valadi, K.1 aKulkarni, B., D. uhttps://library.ncl.res.in/content/svr-based-prediction-point-gas-hold-bubble-column-reactor-through-recurrence-002051nas a2200265 4500008004100000022001400041245012700055210006900182260007300251300001400324490000800338520109600346653001701442653001601459653002201475653001801497653001901515653001501534100002001549700002401569700002001593700002201613700002101635856012901656 2008 eng d a0304-885300aSynthesis and magnetic properties of barium-calcium hexaferrite particles prepared by sol-gel and microemulsion techniques0 aSynthesis and magnetic properties of bariumcalcium hexaferrite p aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcMAR a1095-11010 v3203 a

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

10aBaCa2Fe16O2710ahexaferrite10amagnetic property10aMicroemulsion10aSol-gel method10asurfactant1 aJotania, R., B.1 aKhomane, Ramdas, B.1 aChauhan, C., C.1 aMenon, Shamal, K.1 aKulkarni, B., D. uhttps://library.ncl.res.in/content/synthesis-and-magnetic-properties-barium-calcium-hexaferrite-particles-prepared-sol-gel-001491nas a2200217 4500008004100000022001400041245016300055210006900218260008600287300001200373490000700385520059500392653001700987653002401004653002801028100002001056700002401076700002001100700002101120856013201141 2008 eng d a1553-317400aTemperature dependent structural studies and magnetic properties of BaCa2Fe16O27 hexaferrites prepared by stearic acid gel route in presence of SDS surfactant0 aTemperature dependent structural studies and magnetic properties a325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USAbTAYLOR & FRANCIS INCcMAR a225-2280 v383 a

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

10aBaCa2Fe16O2710amagnetic properties10astearic acid gel method1 aJoyania, R., B.1 aKhomane, Ramdas, B.1 aChauhan, C., C.1 aKulkarni, B., D. uhttps://library.ncl.res.in/content/temperature-dependent-structural-studies-and-magnetic-properties-baca2fe16o27-hexaferrites-001345nas a2200229 4500008004100000022001400041245011700055210006900172260007300241300001200314490000700326520045900333653002500792653002700817653001500844100002500859700002500884700002300909700002200932700002900954856013200983 2008 eng d a1350-417700aUltrasound promoted asymmetric transfer hydrogenation of ketones using Ru(II)arene/amino alcohol catalyst system0 aUltrasound promoted asymmetric transfer hydrogenation of ketones aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcAPR a289-2930 v153 a

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

10aasymmetric catalysis10atransfer hydrogenation10aUltrasound1 aShingote, Savita, K.1 aKelkar, Ashutosh, A.1 aBorole, Yogesh, L.1 aJoshi, Pradip, D.1 aChaudhari, Raghunath, V. uhttps://library.ncl.res.in/content/ultrasound-promoted-asymmetric-transfer-hydrogenation-ketones-using-ruiiareneamino-alcohol-002249nas a2200241 4500008004100000022001400041245010900055210006900164260009900233300001400332490000700346520131600353653001801669653002401687653003301711653002101744100002401765700002801789700002201817700002101839700002101860856012601881 2008 eng d a0960-852400aUse of response surface optimization for the production of biosurfactant from rhodococcus spp. MTCC 25740 aUse of response surface optimization for the production of biosu aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLANDbELSEVIER SCI LTDcNOV a7875-78800 v993 a

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

10aBiosurfactant10aMedium optimization10aResponse surface methodology10aRhodococcus spp.1 aMutalik, Snehal, R.1 aVaidya, Bhalchandra, K.1 aJoshi, Renuka, M.1 aDesai, Kiran, M.1 aNene, Sanjay, N. uhttps://library.ncl.res.in/content/use-response-surface-optimization-production-biosurfactant-rhodococcus-spp-mtcc-2574-003127nas a2200313 4500008004100000022001400041245016800055210006900223260007600292300001600368490000700384520196100391653002402352653001302376653001402389653002802403653002602431653003202457100002102489700002102510700001802531700002602549700001702575700002702592700002802619700001902647700002602666856012102692 2008 eng d a0947-653900aValence-state analysis through spectroelectrochemistry in a series of quinonoid-bridged diruthenium complexes [(acac)(2)Ru(mu-L)Ru(acac)(2)](n) (n =+2,+1, 0,-1,-2)0 aValencestate analysis through spectroelectrochemistry in a serie aCOMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USAbWILEY-BLACKWELLcOCT a10816-108280 v143 a

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

10amagnetic properties10aquinones10aruthenium10aspectroelectrochemistry10astructure elucidation10avalence-state distributions1 aGhumaan, Sandeep1 aSarkar, Biprajit1 aMaji, Somnath1 aPuranik, Vedavati, G.1 aFiedler, Jan1 aUrbanos, Francisco, A.1 aJimenez-Aparicio, Reyes1 aKaim, Wolfgang1 aLahiri, Goutam, Kumar uhttps://library.ncl.res.in/content/valence-state-analysis-through-spectroelectrochemistry-series-quinonoid-bridged-002839nas a2200301 4500008004100000020002200041022001400063245007100077210006900148260030100217300001200518520163500530653001602165653001402181653002202195653002102217653001902238653001002257100002002267700001802287700002102305700002402326700002402350700001902374700001902393700002302412856010202435 2008 eng d a978-90-6605-268-0 a0567-757200aVariability among vitis vinifera cultivars to in vitro propagation0 aVariability among vitis vinifera cultivars to in vitro propagati aPo Box 500, 3001 Leuven 1, BelgiumbAgr & Processed Food Prod Export Dev Author; Indian Farmers Fertilizer Cooperat Ltd; Maharashtra Agro Industries Dev Corp Ltd; Indian Council Agr Res; Natl Res Ctr Grapes; Federat Indian Chambers Commerce & Ind; Natl Hort Board; Minist Food Proc IndustriecMAY a127-1393 a

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

10abasal media10aGrapevine10agrowth regulators10amicropropagation10aTissue culture10aVitis1 aBarreto, M., S.1 aNookaraju, A.1 aJoglekar, A., M.1 aKaribasappa, G., S.1 aAgrawal, Dinesh, C.1 aAdsule, P., G.1 aSawant, I., S.1 aShikhamany, S., D. uhttps://library.ncl.res.in/content/variability-among-vitis-vinifera-cultivars-vitro-propagation-001310nas a2200217 4500008004100000022001400041245014200055210006900197260007300266300001200339490000800351520045600359653001400815653002100829653003000850653002800880653001700908100002600925700001400951856012700965 2009 eng d a1387-181100aAcylation of nitrobenzene and substituted nitrobenzenes by benzoyl chloride using GaClx- and GaAlClx-grafted meporous Si-MCM-41 catalysts0 aAcylation of nitrobenzene and substituted nitrobenzenes by benzo aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcMAR a360-3620 v1193 a

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

10aAcylation10aBenzoyl chloride10aGaAlClx-grafted Si-MCM-4110aGaClx-grafted Si-MCM-4110anitrobenzene1 aChoudhary, Vasant, R.1 aJha, Rani uhttps://library.ncl.res.in/content/acylation-nitrobenzene-and-substituted-nitrobenzenes-benzoyl-chloride-using-gaclx-and-001487nas a2200277 4500008004100000022001400041245011000055210006900165260008900234300001400323490000700337520047400344653002000818653002700838653000900865653001900874653001700893653002300910100002300933700002500956700002200981700002601003700002601029700002801055856012601083 2009 eng d a0253-296400aAlum catalyzed convenient synthesis of quino [2,3-b][1,5]benzoxazepine alpha-aminophosphonate derivatives0 aAlum catalyzed convenient synthesis of quino 23b15benzoxazepine  a635-4 YEOGSAM-DONG, KANGNAM-GU, SEOUL 135-703, SOUTH KOREAbKOREAN CHEMICAL SOCcAUG a1711-17140 v303 a

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

10a5]benzoxazepine10aalpha-Aminophosphonate10aAlum10aQuino[2.3-b][110aSolvent-free10aTriethyl phosphite1 aSonar, Swapnil, S.1 aSadaphal, Sandip, A.1 aShitole, Nana, N.1 aJogdand, Nivrutti, R.1 aShingate, Bapurao, B.1 aShingare, Murlidhar, S. uhttps://library.ncl.res.in/content/alum-catalyzed-convenient-synthesis-quino-23-b15benzoxazepine-alpha-aminophosphonate-002941nas a2200241 4500008004100000022001400041245011500055210006900170260010900239300001200348490000800360520199200368653003202360653002002392653002602412653001602438100001402454700002402468700002802492700003102520700002502551856012302576 2009 eng d a0378-874100aAntiplasmid activity of 1 `-acetoxychavicol acetate from alpinia galanga against multi-drug resistant bacteria0 aAntiplasmid activity of 1 acetoxychavicol acetate from alpinia g aELSEVIER HOUSE, BROOKVALE PLAZA, EAST PARK SHANNON, CO, CLARE, 00000, IRELANDbELSEVIER IRELAND LTDcJUN a522-5250 v1233 a

Ethnopharmacological relevance: Alpinia galanga (L.) Swartz is traditionally used in the treatment of various ailments across India, China, and Southeast Asian countries. In India it is a reputed drug in indigenous system of medicine and largely used as antibacterial and antiseptic. In southern India the rhizomes has been used as a domestic remedy against bacterial infections. Aim of the study: To identify a potential antiplasmid compound from Alpinia galanga against multi-drug resistant bacteria. Materials and methods: The crude rhizome extract of Alpinia galanga was prepared in acetone. Antibacterial activity was checked by MIC and antiplasmid activity was checked by SIC. The principal compound responsible for the antiplasmid activity, in the crude extract, was identified by bioassay guided fractionation using hexane-acetone. Antibiotic resistance profile of plasmid harboring strains and plasmid cured strains was determined by disc diffusion method. Results: The crude acetone extract of the rhizomes of Alpinia galanga exhibited antiplasmid activity against Salmonella typhi, Escherichia coli and vancomycin resistant Enterococcus faecalis with an efficiency of 92%, 82% and 8% respectively at 400 mu g/ml SIC. The principal compound responsible for the activity was identified as 1'-acetoxychavicol acetate. 1'-Acetoxychavicol acetate demonstrated the ability to cure plasmid encoded antibiotic resistance in various multi-drug resistant bacterial strains of clinical isolates such as Enterococcus faecalis, Salmonella typhi, Pseudomonas aeruginosa, Escherichia coli and Bacillus cereus with curing efficiency of 66%, 75%, 70%, 32% and 6% respectively at SIC of 400-800 mu g/ml. Conclusion: 1'-Acetoxychavicol acetate mediated R-plasmid curing significantly reduced the minimal inhibitory concentration of antibiotics required to inhibit growth of bacteria, thus making the antibiotic treatment more effective. (C) 2009 Elsevier Ireland Ltd. All rights reserved.

10a1 `-Acetoxychavicol acetate10aAlpinia galanga10aAntibiotic resistance10aAntiplasmid1 aLatha, C.1 aShriram, Varsha, D.1 aJahagirdar, Sheetal, S.1 aDhakephalkar, Prashant, K.1 aRojatkar, Supada, R. uhttps://library.ncl.res.in/content/antiplasmid-activity-1-acetoxychavicol-acetate-alpinia-galanga-against-multi-drug-001082nas a2200169 4500008004100000022001400041245013100055210006900186260007100255300001200326490000700338520037200345100002200717700002000739700002200759856013100781 2009 eng d a1523-706000aAsymmetric synthesis of tetrahydroquinolin-3-ols via CoCl2-catalyzed reductive cyclization of nitro cyclic sulfites with NaBH40 aAsymmetric synthesis of tetrahydroquinolin3ols via CoCl2catalyze a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcFEB a803-8060 v113 a

A new method for the construction of chiral 3-substituted tetrahydroquinoline derivatives based on asymmetric dihydroxylation and CoCl2-catalyzed reductive, cyclization of nitro cyclic sulfites with NaBH4 has been described with high optical purities. This method has been successfully applied in the formal synthesis of PNU 95666E and anachelin H chromophore.

1 aJagdale, Arun, R.1 aReddy, Santhosh1 aSudalai, Arumugam uhttps://library.ncl.res.in/content/asymmetric-synthesis-tetrahydroquinolin-3-ols-cocl2-catalyzed-reductive-cyclization-nitro-002400nas a2200241 4500008004100000022001400041245013100055210006900186260006800255300001400323490000700337520152000344653002301864653001701887653002601904653001201930653001401942653001801956100002001974700002101994700001902015856012402034 2009 eng d a0887-624X00aCarboxylic-functionalized water soluble pi-conjugated polymer: highly selective and efficient chemosensor for mercury(II) ions0 aCarboxylicfunctionalized water soluble piconjugated polymer high a111 RIVER ST, HOBOKEN, NJ 07030 USAbJOHN WILEY & SONS INCcOCT a5144-51570 v473 a

Here, we report a new carboxylic-functionalized water soluble pi-conjugated polymer for selective detection of highly toxic Hg(2+) in neutral pH condition. carboxylic-functionalized thiophene containing oligophenylenevinylene was synthesized and polymerized under oxidative route to obtain water soluble polymer. Free carboxylic groups present in the pi-conjugated materials provide opportunity to use pH as external stimuli for studying secondary interaction such as hydrogen bonding and aromatic pi-stacking of the chromophores. The pH changes strongly influence on the molecular interactions in the monomer, whereas the long chain polymer was less disturbed. The polymer showed high selectivity for detecting Hg(2+) ions compared with any other transition metal ions in water. The detection efficiency of the polymer was found almost 40 times higher than that of its monomeric unit. Stern-Volmer constant for the Hg(2+) ion sensing was determined through concentration dependent studies as 6.4 x 10(5) M(-1). The carboxylic-functionalized polymer showed reversibility in the metal-ion detecting capabilities which was further investigated by NaCl complexation with Hg(2+) complex. Both funneling of excitation energy to the Hg(2+) center and also excitation energy migration through chain pi-conjugated backbone were correlated to the superior sensing characteristics of the polymer compared to its monomeric counterpart. (C) 2009 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 47: 5144-5157, 2009

10aconjugated polymer10apH sensitive10aphotophysical studies10asensing10asynthesis10awater soluble1 aBalamurugan, A.1 aReddy, M., L. P.1 aJayakannan, M. uhttps://library.ncl.res.in/content/carboxylic-functionalized-water-soluble-pi-conjugated-polymer-highly-selective-and-002106nas a2200253 4500008004100000022001400041245019400055210006900249260007300318300001200391490000800403520111100411653002601522653002201548653001701570653001401587100001601601700002501617700002101642700002401663700001901687700001801706856012801724 2009 eng d a1381-116900aCatalytic meerwein-ponndorf-verley reductions over mesoporous silica supports: rational design of hydrophobic mesoporous silica for enhanced stability of aluminum doped mesoporous catalysts0 aCatalytic meerweinponndorfverley reductions over mesoporous sili aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcMAR a118-1260 v3013 a

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

10aAluminum isopropoxide10aMesoporous silica10aOrganosilica10areduction1 aShylesh, S.1 aKapoor, Mahendra, P.1 aJuneja, Lekh, R.1 aSamuel, Prinson, R.1 aSrilakshmi, Ch1 aSingh, A., R. uhttps://library.ncl.res.in/content/catalytic-meerwein-ponndorf-verley-reductions-over-mesoporous-silica-supports-rational-002074nas a2200385 4500008004100000022001400041245007800055210006900133260006900202300001200271490000700283520086300290653002401153653001501177653001401192653002501206653001501231653001701246653002401263653001601287100002601303700001701329700001801346700002201364700002301386700001901409700002601428700002201454700003401476700001901510700001901529700001701548700001701565856010601582 2009 eng d a1387-287700aChallenges associated with metal chelation therapy in alzheimer's disease0 aChallenges associated with metal chelation therapy in alzheimers aNIEUWE HEMWEG 6B, 1013 BG AMSTERDAM, NETHERLANDSbIOS PRESScJUL a457-4680 v173 a

A close association between brain metal dishomeostasis and the onset and/or progression of Alzheimer's disease ( AD) has been clearly established in a number of studies, although the underlying biochemical mechanisms remain obscure. This observation renders chelation therapy an attractive pharmacological option for the treatment of this disease. However, a number of requirements must be fulfilled in order to adapt chelation therapy to AD so that the term ``metal targeted strategies'' seems now more appropriate. Indeed, brain metal redistribution rather than brain metal scavenging and removal is the major goal of this type of intervention. The most recent developments in metal targeted strategies for AD will be discussed using, as useful examples, clioquinol, curcumin, and epigallocatechin, and the future perspectives will also be outlined.

10aAlzheimer's disease10aclioquinol10acuprizone10ametal dishomeostasis10ametal ions10ananomedicine10aParkinson's disease10apolyphenols1 aHegde, Muralidhar, L.1 aBharathi, P.1 aSuram, Anitha1 aVenugopal, Chitra1 aJagannathan, Ramya1 aPoddar, Pankaj1 aSrinivas, Pullabhatla1 aSambamurti, Kumar1 aRao, Kosagisharaf, Jagannatha1 aScancar, Janez1 aMessori, Luigi1 aZecca, Luigi1 aZatta, Paolo uhttps://library.ncl.res.in/content/challenges-associated-metal-chelation-therapy-alzheimers-disease-002155nas a2200241 4500008004100000022001400041245009200055210006900147260006900216300001000285490000800295520127300303653003601576653002401612653001801636653001901654100002201673700002301695700002601718700002001744700002401764856012501788 2009 eng d a1010-603000aChlorophyll-based photocatalysts and their evaluations for methyl orange photoreduction0 aChlorophyllbased photocatalysts and their evaluations for methyl aPO BOX 564, 1001 LAUSANNE, SWITZERLANDbELSEVIER SCIENCE SAcMAY a83-890 v2043 a

Immobilization of chlorophyll on different functionalized mesoporous materials has been attempted. The replacement of butanediol with monoethanol amine has resulted in increase in chlorophyll loading by a factor of two. The maximum immobilization of chlorophyll was on MCM-41 functionalized with monoethanolamine MCM-41/MEA/Chl) as compared to other mesoporous materials. This material has been characterized using XRD, UV-vis diffuse reflectance spectroscopy, scanning electron microscopy (SEM-EDX) and fluorescence spectroscopy. The photocatalytic reduction of methyl orange (MO)was studied using MCM-41/MEA/Chl as photocatalyst under the visible light. The photocatalytic reduction of MO was 0.396 mg/g of MCM-41/MEA/Chl photocatalyst as compared to 0.508 mg/g of TiO(2) for that of Degussa P-25 photocatalyst. The effect of various operating parameters like catalyst loading, initial concentration and intensity of light has also been studied. Photocatalytic property of chlorophyll-based photocatalytic material indicates that chlorophyll acts as a reaction center, which absorbs visible light and generates electron, which is transferred to different electron acceptors reducing MO into derivative of hydrazine. (C) 2009 Elsevier B.V. All rights reserved.

10aChlorophyll-based photocatalyst10aMesoporous material10aMethyl orange10aPhotoreduction1 aJoshi, Meenal, M.1 aKamble, Sanjay, R.1 aLabhsetwar, Nitin, K.1 aParwate, D., V.1 aRayalu, Sadhana, S. uhttps://library.ncl.res.in/content/chlorophyll-based-photocatalysts-and-their-evaluations-methyl-orange-photoreduction-001309nas a2200217 4500008004100000022001400041245014200055210006900197260007500266300001200341520047000353653001300823653001100836653001400847653001100861653001500872100002200887700002800909700002200937856013200959 2009 eng d a0039-788100aCobalt(II) chloride hexahydrate-diisopropylamine catalyzed mild and chemoselective reduction of carboxylic esters with sodium borohydride0 aCobaltII chloride hexahydratediisopropylamine catalyzed mild and aRUDIGERSTR 14, D-70469 STUTTGART, GERMANYbGEORG THIEME VERLAG KGcFEB a660-6643 a

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

10aAlcohols10aamines10acatalysis10aEsters10areductions1 aJagdale, Arun, R.1 aParaskar, Abhimanyu, S.1 aSudalai, Arumugam uhttps://library.ncl.res.in/content/cobaltii-chloride-hexahydrate-diisopropylamine-catalyzed-mild-and-chemoselective-reduction-001123nas a2200169 4500008004100000022001400041245013200055210006900187260010600256300001200362490000700374520037500381100002200756700002000778700002300798856013200821 2009 eng d a0957-416600aConcise enantioselective synthesis of 1-[(S)-3-(dimethylamino)-3,4 dihydro-6,7-dimethoxyquinolin-1(2H)-yl]propan-1-one, (S)-9030 aConcise enantioselective synthesis of 1S3dimethylamino34 dihydro aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcFEB a335-3390 v203 a

A concise enantioselective synthesis of (S)-903, an inotropic agent, is described in nine linear steps and 95% ee based on asymmetric dihydroxylation of cinnamate ester and Co-catalyzed Multifunctional reduction of several functional groups leading to the construction of core tetrahydroquinolin-3-ol, as the key steps. (C) 2009 Elsevier Ltd. All rights reserved.

1 aJagdale, Arun, R.1 aReddy, Santhosh1 aSudalai, Arurnugam uhttps://library.ncl.res.in/content/concise-enantioselective-synthesis-1-s-3-dimethylamino-34-dihydro-67-dimethoxyquinolin-12h-001101nas a2200181 4500008004100000022001400041245004600055210004600101260007100147300001300218490000700231520050600238100002300744700002800767700002200795700002200817856008000839 2009 eng d a1083-616000aContinuous flow nitration of benzaldehyde0 aContinuous flow nitration of benzaldehyde a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcOCT a999-10020 v133 a

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

1 aKulkarni, Amol, A.1 aKalyani, Vishwanath, S.1 aJoshi, Ramesh, A.1 aJoshi, Rohini, R. uhttps://library.ncl.res.in/content/continuous-flow-nitration-benzaldehyde-002417nas a2200229 4500008004100000022001400041245013400055210006900189260006800258300001400326490000700340520153300347653002401880653001701904653003001921653002401951653003601975100001402011700002002025700001902045856012302064 2009 eng d a0887-624X00aControl of molecular aggregation in symmetrically substituted pi-conjugated bulky poly(p-phenylenevinylene)s and their copolymers0 aControl of molecular aggregation in symmetrically substituted pi a111 RIVER ST, HOBOKEN, NJ 07030 USAbJOHN WILEY & SONS INCcMAY a2631-26460 v473 a

A new series of symmetrically substituted bulky PPV-copolymers based on poly(bis-2,5-(2-ethylhexyloxy)-1,4-phenylenevinylene) (BEH-PPV) bearing tricyclodecane (TCD) pendants were synthesized to study the effect of chain aggregation in the pi-conjugated polymer backbone. The composition of the copolymers was varied up to 100 mol % and the structures of the copolymer were confirmed by NMR and FTIR. The molecular weights of the copolymers were obtained as M(w) = 11,500-1,78,800 depending on the TCD-incorporation in BEH-PPV. The origin of the pi-aggregation was investigated using mixture of solvents (polar or nonpolar) or temperature as external stimuli. Absorption, photoluminescence, and time-resolved fluorescence decay techniques were employed as tools to trace molecular aggregation in solution and solid state. The TCD-substituted bulky copolymers showed almost twice the enhancement in photoluminescence compared with that of BEH-PPV Solvent-induced aggregation studies of copolymers revealed the existence of strong molecular aggregation in BEH-PPV compared with that of bulky copolymers. Variable temperature studies further evidence for the reversibility of molecular aggregation on beating/cooling cycles and showed isosbetic points with respect to free and aggregated polymer chains. Time-resolved fluorescent studies confirmed the existence of free and aggregated pi-conjugated species with a life time of 0.1 to 1.0 ns. (C) 2009 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 47: 2631-2646, 2009

10aconjugated polymers10afluorescence10apoly(p-phenylenevinylene)10asolution properties10aStructure-property relationship1 aResmi, R.1 aAmrutha, S., R.1 aJayakannan, M. uhttps://library.ncl.res.in/content/control-molecular-aggregation-symmetrically-substituted-pi-conjugated-bulky-polyp-001191nas a2200241 4500008004100000022001400041245012000055210006900175260010300244300001400347490000700361520029300368653001600661653001300677653001700690653001600707653001100723653001500734100002200749700003200771700002200803856012400825 2009 eng d a0376-469900aCu(OTf)(2)-catalyzed alpha-halogenation of ketones with 1,3-dichloro-5,5 `-dimethylhydantoin and N-bromosuccinimide0 aCuOTf2catalyzed alphahalogenation of ketones with 13dichloro55 d aANUSANDHAN BHAWAN, 2 RAFI MARG, NEW DELHI, 110001, INDIAbCOUNCIL SCIENTIFIC & INDUSTRIAL REScOCT a1424-14300 v483 a

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

10aBromination10aCatalyst10achlorination10acopper (II)10aKetone10aLewis acid1 aJagdale, Arun, R.1 aChouthaiwale, Pandurang, V.1 aSudalai, Arumugam uhttps://library.ncl.res.in/content/cuotf2-catalyzed-alpha-halogenation-ketones-13-dichloro-55-dimethylhydantoin-and-n-002309nas a2200217 4500008004100000022001400041245011600055210006900171260007100240300001400311490000700325520147400332100002501806700002201831700002001853700001901873700003001892700002001922700001801942856013101960 2009 eng d a0743-746300aDendritic effect of ligand-coated nanoparticles: enhanced apoptotic activity of silica-berberine nanoconjugates0 aDendritic effect of ligandcoated nanoparticles enhanced apoptoti a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcFEB a2339-23470 v253 a

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

1 aHalimani, Mahantappa1 aChandran, Prathap1 aKashyap, Sudhir1 aJadhav, V., M.1 aPrasad, Bhagavatula L. V.1 aHotha, Srinivas1 aMaiti, Souvik uhttps://library.ncl.res.in/content/dendritic-effect-ligand-coated-nanoparticles-enhanced-apoptotic-activity-silica-berberine-003142nas a2200229 4500008004100000022001400041245026000055210006900315260007100384300001400455490000700469520211800476100002402594700002502618700002102643700002202664700002302686700002702709700002602736700002602762856012402788 2009 eng d a0888-588500aDevelopment of correlations for overall gas hold-up, volumetric mass transfer coefficient, and effective interfacial area in bubble column reactors using hybrid genetic algorithm-support vector regression technique: viscous newtonian and non-newtonian liq0 aDevelopment of correlations for overall gas holdup volumetric ma a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcNOV a9631-96540 v483 a

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

1 aGupta, Prashant, P.1 aMerchant, Shamel, S.1 aBhat, Akshay, U.1 aGandhi, Ankit, B.1 aBhagwat, Sunil, S.1 aJoshi, Jyeshtharaj, B.1 aJayaraman, Valadi, K.1 aKulkarni, Bhaskar, D. uhttps://library.ncl.res.in/content/development-correlations-overall-gas-hold-volumetric-mass-transfer-coefficient-and-002056nas a2200193 4500008004100000022001400041245020100055210006900256260007100325300001400396490000700410520119500417100002201612700002401634700002701658700002601685700002601711856012501737 2009 eng d a0888-588500aDevelopment of unified correlations for volumetric mass-transfer coefficient and effective interfacial area in bubble column reactors for various gas-liquid systems using support vector regression0 aDevelopment of unified correlations for volumetric masstransfer  a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcMAY a4216-42360 v483 a

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

1 aGandhi, Ankit, B.1 aGupta, Prashant, P.1 aJoshi, Jyeshtharaj, B.1 aJayaraman, Valadi, K.1 aKulkarni, Bhaskar, D. uhttps://library.ncl.res.in/content/development-unified-correlations-volumetric-mass-transfer-coefficient-and-effective-002497nas a2200217 4500008004100000022001400041245016500055210006900220260007300289300001000362490000800372520160500380653002701985653002302012653002302035653002302058653002202081100002602103700001802129856013202147 2009 eng d a0926-860X00aDirect H-2-to-H2O2 oxidation over highly active/selective Br-F-Pd/Al2O3 catalyst in aqueous acidic medium: Influence of process conditions on the H2O2 formation0 aDirect H2toH2O2 oxidation over highly activeselective BrFPdAl2O3 aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcJAN a35-420 v3523 a

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

10aBr-F-Pd/Al2O3 catalyst10aH2O2 decomposition10aH2O2 hydrogenation10ahydrogen oxidation10aHydrogen peroxide1 aChoudhary, Vasant, R.1 aJana, Prabhas uhttps://library.ncl.res.in/content/direct-h-2-h2o2-oxidation-over-highly-activeselective-br-f-pdal2o3-catalyst-aqueous-acidic-001738nas a2200205 4500008004100000022001400041245022400055210006900279260011000348300001200458490000700470520079600477100001801273700002001291700002001311700002101331700001901352700003001371856013101401 2009 eng d a1144-054600aDirect method for the preparation of glycolipid-metal nanoparticle conjugates: sophorolipids as reducing and capping agents for the synthesis of water re-dispersible silver nanoparticles and their antibacterial activity0 aDirect method for the preparation of glycolipidmetal nanoparticl aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcDEC a646-6520 v333 a

The production of a new class of glycolipid-metal nanoparticle conjugates, namely, sophorolipid reduced/capped silver nanoparticles is demonstrated for the first time, by unveiling the reducing and capping abilities of sophorolipid derived from oleic acid. It is also demonstrated that the sophorolipid capped Ag nanoparticles are highly potent antibacterial agents, against both Gram-positive and Gram-negative bacteria. The utilization of sophorolipid brings out several advantages, such as eliminating the necessity for exogenous reducing agent and imparting better stability to the silver nanoparticles as compared to their oleic acid capped analogues. These sophorolipid capped silver nanoparticles can be obtained as a stable powder that can be re-dispersed in water as desired.

1 aSingh, Sanjay1 aPatel, Pitamber1 aJaiswal, Swarna1 aPrabhune, Asmita1 aRamana, C., V.1 aPrasad, Bhagavatula L. V. uhttps://library.ncl.res.in/content/direct-method-preparation-glycolipid-metal-nanoparticle-conjugates-sophorolipids-reducing-002089nas a2200193 4500008004100000022001400041245008500055210006900140260007100209300001400280490000700294520135300301100002501654700003601679700002401715700002701739700001601766856011301782 2009 eng d a0888-588500aEffect of flow structures on heat transfer in single and multiphase jet reactors0 aEffect of flow structures on heat transfer in single and multiph a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcNOV a9428-94400 v483 a

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

1 aDeshpande, Sagar, S.1 aMathpati, Channamallikarjun, S.1 aGulawani, Sagar, S.1 aJoshi, Jyeshtharaj, B.1 aKumar, Ravi uhttps://library.ncl.res.in/content/effect-flow-structures-heat-transfer-single-and-multiphase-jet-reactors-001661nas a2200193 4500008004100000022001400041245011900055210006900174260005700243300001200300490000700312520090000319100002701219700001601246700002501262700001901287700003301306856012801339 2009 eng d a0947-839600aEffect of nickel nanofillers on the dielectric and magnetic properties of composites based on rubber in the X-band0 aEffect of nickel nanofillers on the dielectric and magnetic prop a233 SPRING ST, NEW YORK, NY 10013 USAbSPRINGERcOCT a157-1650 v973 a

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

1 aJamal, Muhammad, Abdul1 aMohanan, P.1 aJoy, Pattayil, Alias1 aKurian, Philip1 aAnantharaman, Maliemadom, R. uhttps://library.ncl.res.in/content/effect-nickel-nanofillers-dielectric-and-magnetic-properties-composites-based-rubber-x-001617nas a2200241 4500008004100000022001400041245007700055210006900132260007100201300001400272490000700286520077800293100001701071700002101088700001901109700002901128700001801157700002201175700001901197700002401216700003001240856010501270 2009 eng d a0897-475600aElectronic structure and catalytic study of solid solution of GaN in ZnO0 aElectronic structure and catalytic study of solid solution of Ga a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcJUL a2973-29790 v213 a

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

1 aMapa, Maitri1 aThushara, K., S.1 aSaha, Biswajit1 aChakraborty, Purushottam1 aJanet, C., M.1 aViswanath, R., P.1 aNair, Madhavan1 aMurty, K., V. G. K.1 aGopinath, Chinnakonda, S. uhttps://library.ncl.res.in/content/electronic-structure-and-catalytic-study-solid-solution-gan-zno-001976nas a2200253 4500008004100000022001400041245013800055210006900193260008000262300001200342490000700354520098200361653001201343653002401355653003001379653003301409653002901442100002801471700002401499700002201523700002101545700002601566856013001592 2009 eng d a1367-543500aEnhanced production of amidase from Rhodococcus erythropolis MTCC 1526 by medium optimisation using a statistical experimental design0 aEnhanced production of amidase from Rhodococcus erythropolis MTC aTIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANYbSPRINGER HEIDELBERGcMAY a671-6780 v363 a

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

10aAmidase10aMedium optimisation10aPlackett-Burman screening10aResponse surface methodology10aRhodococcus erythropolis1 aVaidya, Bhalchandra, K.1 aMutalik, Snehal, R.1 aJoshi, Renuka, M.1 aNene, Sanjay, N.1 aKulkarni, Bhaskar, D. uhttps://library.ncl.res.in/content/enhanced-production-amidase-rhodococcus-erythropolis-mtcc-1526-medium-optimisation-using-001912nas a2200193 4500008004100000022001400041245010800055210006900163260011100232300001200343490000700355520111900362100001901481700001501500700002301515700002201538700002601560856013201586 2009 eng d a1386-207300aFeature selection and classification employing hybrid ant colony optimization/random forest methodology0 aFeature selection and classification employing hybrid ant colony aEXECUTIVE STE Y26, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATESbBENTHAM SCIENCE PUBL LTDcJUN a507-5130 v123 a

Accurate classification of instances depends on identification and removal of redundant features. Classification of data having high dimensionality is usually performed in conjunction with an appropriate feature selection method. Feature selection enables identification of the most informative feature subset from the enormously vast search space that can accurately classify the given data. We propose an ant colony optimization (ACO)/random forest based hybrid filter-wrapper search technique, which traverses the search space and selects a feature subset with high classifying ability. We evaluate the performance of our algorithm on four widely studied CoEPrA (Comparative Evaluation of Prediction Algorithms, http://coepra.org) datasets. The performance of the software ants mediated hybrid filter/wrapper approach compares well with the available competition results. Thus, the proposed Ant Colony Optimization based technique can effectively find small feature subsets capable of classifying with a very good accuracy and can be employed for feature subset selection with a high level of confidence.

1 aPatil, Diwakar1 aRaj, Rahul1 aShingade, Prashant1 aKulkarni, Bhaskar1 aJayaraman, Valadi, K. uhttps://library.ncl.res.in/content/feature-selection-and-classification-employing-hybrid-ant-colony-optimizationrandom-forest-001481nas a2200217 4500008004100000022001400041245006600055210006600121260010600187300001400293490000800307520069700315653002301012653001801035653002401053653001801077100002501095700001801120700002501138856010001163 2009 eng d a0038-109800aFerromagnetic properties of glucose coated Cu2O nanoparticles0 aFerromagnetic properties of glucose coated Cu2O nanoparticles aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcDEC a2199-22010 v1493 a

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

10aChemical synthesis10aCuprous oxide10amagnetic properties10aNanoparticles1 aMahajan, Mangesh, B.1 aPavan, M., S.1 aJoy, Pattayil, Alias uhttps://library.ncl.res.in/content/ferromagnetic-properties-glucose-coated-cu2o-nanoparticles-001484nas a2200229 4500008004100000022001400041245006800055210006100123260007300184300001200257490000700269520074000276653001901016653002201035653001501057653001501072653001501087100001601102700001901118700002501137856009201162 2009 eng d a1293-255800aFerromagnetic to spin glass cross over in (La,Tb)(2/3)Ca1/3MnO30 aFerromagnetic to spin glass cross over in LaTb23Ca13MnO3 aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcMAR a714-7180 v113 a

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

10aFerromagnetism10aMagnetic clusters10aManganites10aperovskite10aSpin glass1 aSankar, Raj1 aVijayanand, S.1 aJoy, Pattayil, Alias uhttps://library.ncl.res.in/content/ferromagnetic-spin-glass-cross-over-latb23ca13mno3-000539nas a2200157 4500008004100000022001400041245004700055210004400102260007100146300001400217490000700231100002400238700002600262700001800288856007500306 2009 eng d a0888-588500aFestschrift in Honor of Dr. B. D. Kulkarni0 aFestschrift in Honor of Dr B D Kulkarni a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcNOV a9355-93560 v481 aYadav, Ganapati, D.1 aJayaraman, Valadi, K.1 aRavikumar, V. uhttps://library.ncl.res.in/content/festschrift-honor-dr-b-d-kulkarni-001771nas a2200265 4500008004100000022001400041245006200055210006100117260007300178300001400251490000700265520091100272653002201183653001301205653001901218653000901237100002101246700002401267700002301291700002301314700002201337700003001359700002001389856009601409 2009 eng d a1293-255800aField emission investigation of single Fe-doped SnO2 wire0 aField emission investigation of single Fedoped SnO2 wire aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcJUN a1114-11170 v113 a

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

10aCurrent stability10aFe doped10afield emission10aSnO21 aBhise, Ashok, B.1 aLate, Dattatray, J.1 aSathe, Bhaskar, R.1 aMore, Mahendra, A.1 aMulla, Imtiaz, S.1 aPillai, Vijayamohanan, K.1 aJoag, Dilip, S. uhttps://library.ncl.res.in/content/field-emission-investigation-single-fe-doped-sno2-wire-002342nas a2200265 4500008004100000022001400041245006100055210006000116260009200176300001200268490000600280520146300286653001901749653002601768653001901794653000801813100002401821700002601845700002201871700002201893700002001915700002301935700002301958856009501981 2009 eng d a1662-525000aField emission properties of Al-doped ZnO nanostructures0 aField emission properties of Aldoped ZnO nanostructures aLAUBISRUTISTR 24, STAFA-ZUERICH, CH-8712, SWITZERLANDbTRANS TECH PUBLICATIONS LTDcJAN a231-2370 v53 a

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

10afield emission10aFowler-Nordheim plots10aNanostructures10aZnO1 aNavale, Shalaka, C.1 aSheini, Farid, Jamali1 aPatil, Sandip, S.1 aMulla, Imtiaz, S.1 aJoag, Dilip, S.1 aMore, Mahendra, A.1 aGosavi, Suresh, W. uhttps://library.ncl.res.in/content/field-emission-properties-al-doped-zno-nanostructures-002180nas a2200205 4500008004100000022001400041245018700055210006900242260007500311300001200386490000700398520133500405653000801740653001401748653002801762653002001790100002101810700001401831856012901845 2009 eng d a1053-050900aFluorescence study on interactions of alpha-crystallin with the molten globule state of 1, 4-beta-D-glucan glucanohydrolase from thermomonospora sp induced by guanidine hydrochloride0 aFluorescence study on interactions of alphacrystallin with the m a233 SPRING ST, NEW YORK, NY 10013 USAbSPRINGER/PLENUM PUBLISHERScNOV a967-9730 v193 a

In this paper, the interaction between alpha- crystallin and molten globule structure of 1,4-beta-D-Glucan Glucohydrolase (TSC) from an alkalothermophilic Thermomonospora sp. was investigated mainly by fluorescence quenching spectra, circular dichroism and three dimensional fluorescence spectra under simulative physiological conditions. Denaturation studies using GdnCl indicated that TSC folds through a partially folded state that resembles molten globule at 1.8 M GdnCl. The chaperone activity of alpha- crystallin was employed to study refolding of TSC. Here we studied the refolding of GdnCl denatured TSC from its molten globule state (TSC-m complex) in the presence and absence of alpha-crystallin to elucidate the molecular mechanism of chaperone-mediated in vitro folding. Our results, based on intrinsic tryptophan fluorescence and ANS binding studies, suggest that alpha-crystallin formed a complex with a putative intermediate molten globule - like intermediate in the refolding pathway of TSC. Reconstitution of the active TSC was observed on cooling the alpha-crystallin aEuro cent TSC -m complex to 4A degrees C. Addition of alpha-crystallin to the molten globule - like intermediate of TSC (TSC-m complex) complex initiated the refolding of TSC with 69 % recovery of the biological activity of the enzyme.

10aANS10aCellulase10aGuanidine hydrochloride10aProtein folding1 aJagtap, Sharmili1 aRao, Mala uhttps://library.ncl.res.in/content/fluorescence-study-interactions-alpha-crystallin-molten-globule-state-1-4-beta-d-glucan-001967nas a2200241 4500008004100000022001400041245008400055210006900139260006900208300001200277490000800289520111400297653001301411653001501424653005501439100002001494700001901514700002001533700001801553700001701571700002201588856011501610 2009 eng d a0925-838800aGas sensing properties of magnesium ferrite prepared by co-precipitation method0 aGas sensing properties of magnesium ferrite prepared by coprecip aPO BOX 564, 1001 LAUSANNE, SWITZERLANDbELSEVIER SCIENCE SAcNOV a270-2720 v4883 a

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

10aFerrites10aGas sensor10aX-ray diffraction and scanning electron microscopy1 aHankare, P., P.1 aJadhav, S., D.1 aSankpal, U., B.1 aPatil, R., P.1 aSasikala, R.1 aMulla, Imtiaz, S. uhttps://library.ncl.res.in/content/gas-sensing-properties-magnesium-ferrite-prepared-co-precipitation-method-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-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-001421nas a2200265 4500008004100000020002200041022001400063245010700077210006900184260006800253300001200321490000900333520049500342100002000837700001700857700001900874700002100893700002600914700001800940700001400958700001900972700001900991700001601010856012901026 2009 eng d a978-3-642-11163-1 a0302-974300aIdentification of defensins employing recurrence quantification analysis and random forest classifiers0 aIdentification of defensins employing recurrence quantification  aHEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANYbISI KolkatacDEC a152-1570 v59093 a

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

1 aKarnik, Shreyas1 aPrasad, Ajay1 aDiwevedi, Alok1 aSundararajan, V.1 aJayaraman, Valadi, K.1 aChaudhury, S.1 aMitra, S.1 aMurthy, C., A.1 aSastry, P., S.1 aPal, S., K. uhttps://library.ncl.res.in/content/identification-defensins-employing-recurrence-quantification-analysis-and-random-forest-001418nas a2200277 4500008004100000020002200041022001400063245010700077210006900184260006800253300001200321490000900333520046000342100002000802700001900822700001900841700002100860700001900881700002600900700001800926700001400944700001900958700001900977700001600996856012801012 2009 eng d a978-3-642-11163-1 a0302-974300aIdentification of N-glycosylation sites with sequence and structural features employing random forests0 aIdentification of Nglycosylation sites with sequence and structu aHEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANYbISI KolkatacDEC a146-1510 v59093 a

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

1 aKarnik, Shreyas1 aMitra, Joydeep1 aSingh, Arunima1 aKulkarni, B., D.1 aSundarajan, V.1 aJayaraman, Valadi, K.1 aChaudhury, S.1 aMitra, S.1 aMurthy, C., A.1 aSastry, P., S.1 aPal, S., K. uhttps://library.ncl.res.in/content/identification-n-glycosylation-sites-sequence-and-structural-features-employing-random-002159nas a2200229 4500008004100000022001400041245013600055210006900191260007300260300001400333490000800347520126000355653002701615100001901642700002101661700001901682700002501701700001801726700002201744700003301766856013001799 2009 eng d a0304-885300aImpact of zinc substitution on the structural and magnetic properties of chemically derived nanosized manganese zinc mixed ferrites0 aImpact of zinc substitution on the structural and magnetic prope aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcAPR a1092-10990 v3213 a

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

10aManganese zinc ferrite1 aGopalan, Veena1 aAl-Omari, I., A.1 aMalini, K., A.1 aJoy, Pattayil, Alias1 aKumar, Sakthi1 aYoshida, Yasuhiko1 aAnantharaman, Maliemadom, R. uhttps://library.ncl.res.in/content/impact-zinc-substitution-structural-and-magnetic-properties-chemically-derived-nanosized-002322nas a2200205 4500008004100000022001400041245014500055210006900200260007100269300001400340490000800354520149600362100002301858700002701881700002701908700002101935700002001956700001901976856012101995 2009 eng d a1932-744700aIn situ observation of antibiotic mediated concurrent growth of two distinct homogeneous populations of gold nanoparticles in solution phase0 aIn situ observation of antibiotic mediated concurrent growth of  a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcMAR a3478-34860 v1133 a

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

1 aJagannathan, Ramya1 aParmar, Avanish, Singh1 aAdyanthaya, Suguna, D.1 aPrabhune, Asmita1 aMuschol, Martin1 aPoddar, Pankaj uhttps://library.ncl.res.in/content/situ-observation-antibiotic-mediated-concurrent-growth-two-distinct-homogeneous-001795nas a2200265 4500008004100000022001400041245011000055210006900165260006900234300001400303490000800317520082400325653001401149653002201163653001401185653002201199653003301221653003701254653001501291100002601306700002201332700002001354700002301374856013201397 2009 eng d a0040-609000aInfluence of process variables on growth of ZnO nanowires by cathodic electrodeposition on zinc substrate0 aInfluence of process variables on growth of ZnO nanowires by cat aPO BOX 564, 1001 LAUSANNE, SWITZERLANDbELSEVIER SCIENCE SAcOCT a6605-66110 v5173 a

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

10aAnnealing10aElectrodeposition10aNanowires10aphotoluminescence10ascanning electron microscopy10atransmission electron microscopy10aZinc oxide1 aSheini, Farid, Jamali1 aMulla, Imtiaz, S.1 aJoag, Dilip, S.1 aMore, Mahendra, A. uhttps://library.ncl.res.in/content/influence-process-variables-growth-zno-nanowires-cathodic-electrodeposition-zinc-substrate-001883nas a2200265 4500008004100000022001400041245009000055210006900145260007300214300001400287490000800301520096900309653002401278653001201302653001801314653002201332100002001354700001801374700002001392700001901412700002201431700001901453700002101472856012401493 2009 eng d a0304-885300aMagnetic and dielectric properties of nanophase manganese-substituted lithium ferrite0 aMagnetic and dielectric properties of nanophase manganesesubstit aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcOCT a3270-32730 v3213 a

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

10adielectric constant10aFerrite10aMagnetization10aX-ray diffraction1 aHankare, P., P.1 aPatil, R., P.1 aSankpal, U., B.1 aJadhav, S., D.1 aMulla, Imtiaz, S.1 aJadhav, K., M.1 aChougule, B., K. uhttps://library.ncl.res.in/content/magnetic-and-dielectric-properties-nanophase-manganese-substituted-lithium-ferrite-001628nas a2200289 4500008004100000022001400041245008800055210006900143260007900212300001100291490000700302520063900309653002200948653001900970653001700989653002101006653002501027653001801052653002901070653001801099653001401117100001901131700002501150700001901175700002501194856011901219 2009 eng d a1098-012100aMagnetic characteristics of nanocrystalline multiferroic BiFeO3 at low temperatures0 aMagnetic characteristics of nanocrystalline multiferroic BiFeO3  aONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USAbAMER PHYSICAL SOCcAUG a0644230 v803 a

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

10abismuth compounds10acoercive force10acrystallites10amagnetic domains10amagnetic transitions10aMultiferroics10aNanostructured materials10aRaman spectra10aremanence1 aVijayanand, S.1 aMahajan, Mangesh, B.1 aPotdar, H., S.1 aJoy, Pattayil, Alias uhttps://library.ncl.res.in/content/magnetic-characteristics-nanocrystalline-multiferroic-bifeo3-low-temperatures-001644nas a2200193 4500008004100000022001400041245011800055210006900173260007100242300001400313490000700327520087900334100001701213700002001230700002501250700002901275700001801304856012801322 2009 eng d a0888-588500aMass transfer and solubility of CO and H-2 in ionic liquid. case of [Bmim][PF6] with gas-inducing stirrer reactor0 aMass transfer and solubility of CO and H2 in ionic liquid case o a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcAPR a4075-40820 v483 a

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

1 aSharma, Amit1 aJulcour, Carine1 aKelkar, Ashutosh, A.1 aDeshpande, Raj, Madhukar1 aDelmas, Henri uhttps://library.ncl.res.in/content/mass-transfer-and-solubility-co-and-h-2-ionic-liquid-case-bmimpf6-gas-inducing-stirrer-003118nas a2200193 4500008004100000022001400041245014800055210006900203260007100272300001600343490000800359520233400367100001402701700002302715700002702738700001702765700001902782856012302801 2009 eng d a1932-744700aMechanistic study of surface functionalization of enzyme lysozyme synthesized Ag and Au nanoparticles using surface enhanced raman spectroscopy0 aMechanistic study of surface functionalization of enzyme lysozym a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcDEC a21493-215000 v1133 a

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

1 aDas, Raja1 aJagannathan, Ramya1 aSharan, Chandrashekhar1 aKumar, Umesh1 aPoddar, Pankaj uhttps://library.ncl.res.in/content/mechanistic-study-surface-functionalization-enzyme-lysozyme-synthesized-ag-and-au-002362nas a2200277 4500008004100000022001400041245014500055210006900200260008000269300001200349490000700361520130400368653003001672653001801702653002201720653002301742653003301765653001601798100002101814700002801835700002101863700002201884700002101906700002601927856013101953 2009 eng d a1367-543500aMedia optimization for biosurfactant production by rhodococcus erythropolis MTCC 2794: artificial intelligence versus a statistical approach0 aMedia optimization for biosurfactant production by rhodococcus e aTIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANYbSPRINGER HEIDELBERGcMAY a747-7560 v363 a

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

10aArtificial neural network10aBiosurfactant10aGenetic algorithm10aMedia optimization10aResponse surface methodology10aRhodococcus1 aPal, Moumita, P.1 aVaidya, Bhalchandra, K.1 aDesai, Kiran, M.1 aJoshi, Renuka, M.1 aNene, Sanjay, N.1 aKulkarni, Bhaskar, D. uhttps://library.ncl.res.in/content/media-optimization-biosurfactant-production-rhodococcus-erythropolis-mtcc-2794-artificial-001249nas a2200205 4500008004100000022001400041245004800055210004800103260009200151300001800243490000800261520056500269653002400834653001400858653001700872100001400889700002500903700003300928856008200961 2009 eng d a0015-019300aMultiferroic behavior of gd based manganite0 aMultiferroic behavior of gd based manganite a4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLANDbTAYLOR & FRANCIS LTDcOCT aPII 9173249710 v3923 a

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

10adielectric constant10amanganite10aMultiferroic1 aSagar, S.1 aJoy, Pattayil, Alias1 aAnantharaman, Maliemadom, R. uhttps://library.ncl.res.in/content/multiferroic-behavior-gd-based-manganite-001697nas a2200301 4500008004100000022001400041245011600055210006900171260009500240300001400335490000600349520063200355653003100987653001301018653001701031653001401048653001401062100002001076700001801096700002201114700001401136700002501150700002101175700002001196700002301216700002901239856012701268 2009 eng d a1533-488000aNon-templated hydrothermal growth of anisotropic magnetite nanostructures using hexamine as the directing agent0 aNontemplated hydrothermal growth of anisotropic magnetite nanost a25650 NORTH LEWIS WAY, STEVENSON RANCH, CA 91381-1439 USAbAMER SCIENTIFIC PUBLISHERScOCT a5823-58280 v93 a

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

10aAnisotropic Nanostructures10aHexamine10ahydrothermal10amagnetite10aMossbauer1 aBhagwat, S., V.1 aJouen, Samuel1 aKundaliya, D., C.1 aSingh, H.1 aJagadale, Tushar, C.1 aAthawale, A., A.1 aLofland, S., E.1 aHannoyer, Beatrice1 aOgale, Satishchandra, B. uhttps://library.ncl.res.in/content/non-templated-hydrothermal-growth-anisotropic-magnetite-nanostructures-using-hexamine-001830nas a2200313 4500008004100000022001400041245009600055210006900151260012500220300001100345490000700356520068900363653002201052653002501074653001701099653002801116653002901144653002401173653002101197653001801218653001801236653002901254653002101283653002201304100001901326700001901345700002501364856012701389 2009 eng d a0003-695100aOrigin of high room temperature ferromagnetic moment of nanocrystalline multiferroic BiFeO30 aOrigin of high room temperature ferromagnetic moment of nanocrys aCIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USAbAMER INST PHYSICScMAY a1825070 v943 a

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

10abismuth compounds10aCombustion synthesis10acrystallites10aferromagnetic materials10ahigh-temperature effects10amagnetic impurities10aMagnetic moments10aMagnetisation10aMultiferroics10aNanostructured materials10aNeel temperature10aX-ray diffraction1 aVijayanand, S.1 aPotdar, H., S.1 aJoy, Pattayil, Alias uhttps://library.ncl.res.in/content/origin-high-room-temperature-ferromagnetic-moment-nanocrystalline-multiferroic-bifeo3-001442nas a2200205 4500008004100000022001400041245007300055210006900128260006900197300001200266490000800278520071400286653002001000653004101020653002101061653001601082100001901098700002001117856009901137 2009 eng d a0925-400500aPolypyrrole functionalized with FePcTSA for NO(2) sensor application0 aPolypyrrole functionalized with FePcTSA for NO2 sensor applicati aPO BOX 564, 1001 LAUSANNE, SWITZERLANDbELSEVIER SCIENCE SAcJUL a439-4440 v1403 a

The nitrogen dioxide (NO(2)) sensing capability of polypyrrole (PPy) was enhanced dramatically after functionalized with iron(III)phthalocyanine-4,4',4 `',4'''-tetrasulfonic acid monosodium salt (FePcTSA). The incorporated phthalocyanine was confirmed by different characterization techniques such as UV-vis spectroscopy, FTIR, GFAAS, EDAX, etc. The resistance of the functionalized PPy decreased spontaneously during exposure to NO(2) gas at room temperature. This material exhibited excellent stability, reversibility, and reproducibility. The lowest response time (t(50)) thus obtained is 47 s with a highest response factor (Delta R/R(0) x 100) of 50.25. (C) 2009 Elsevier B.V. All rights reserved.

10aChemical sensor10aFe(III)phthalocyanine tetrasulfonate10aNitrogen dioxide10apolypyrrole1 aPaul, Santhosh1 aJoseph, Michael uhttps://library.ncl.res.in/content/polypyrrole-functionalized-fepctsa-no2-sensor-application-001807nas a2200181 4500008004100000022001400041245015000055210006900205260007100274300001400345490000700359520103400366100002001400700002701420700002601447700002601473856012601499 2009 eng d a0888-588500aQuantitative structure-property relationship (QSPR) prediction of liquid viscosities of pure organic compounds employing random forest regression0 aQuantitative structureproperty relationship QSPR prediction of l a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcNOV a9708-97120 v483 a

A quantitative structure-property relationship (QSPR) approach was used to develop a predictive model for viscosities of pure organic liquids using a set of 403 compounds that belong to diverse classes of organic chemicals. A pool of 116 descriptors that encode topostructural, topochemical, electrotopological, geometrical, and quantum chemical properties of the organic compounds was used to develop QSPR models, based on the robust Random Forest (RF) regression algorithm. The performance of the algorithm, in terms of correlation coefficients and mean square errors, was determined to be good. The capability of the algorithm to build models and select the most-informative features simultaneously is very useful for several quantitative structure-activity/property relationship tasks. The eight most-dominant features selected by the RF regression algorithm primarily contained predictors that encode characteristics of atoms and groups that form hydrogen bonds, as well as factors involving molecular shape and size.

1 aRajappan, Remya1 aShingade, Prashant, D.1 aNatarajan, Ramanathan1 aJayaraman, Valadi, K. uhttps://library.ncl.res.in/content/quantitative-structure-property-relationship-qspr-prediction-liquid-viscosities-pure-000970nas a2200229 4500008004100000245013700041210006900178260000800247300001600255520012200271653001700393653002300410653003800433100001400471700002200485700001700507700002300524700002200547700002400569700001600593856013100609 2009 eng d00aReactions of morita-baylis-hillman acetates with huisgen zwitterions: a novel strategy for the synthesis of ?-amino acid derivatives0 aReactions of moritabaylishillman acetates with huisgen zwitterio cAPR a1829–18333 a

The reaction of Huisgen Zwitterion with Morita–Baylis– Hillman acetates afforded b-amino acid derivatives.

10ab-amino acid10aHuisgen zwitterion10aMorita–Baylis–Hillman acetate1 aJose, Anu1 aPaul, Rony, Rajan1 aMohan, Resmi1 aMathew, Smitha, C.1 aBiju, Akkattu, T.1 aEringathodi, Suresh1 aNair, Vijay uhttps://library.ncl.res.in/content/reactions-morita-baylis-hillman-acetates-huisgen-zwitterions-novel-strategy-synthesis-amino01863nas a2200229 4500008004100000022001400041245009600055210006900151260009900220300001400319490000800333520101200341653001701353653001401370653001301384653001301397653002101410100002501431700002701456700002701483856012301510 2009 eng d a0008-621500aRelative reactivity of hydroxyl groups in inositol derivatives: role of metal ion chelation0 aRelative reactivity of hydroxyl groups in inositol derivatives r aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLANDbELSEVIER SCI LTDcJUL a1159-11660 v3443 a

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

10aCarbohydrate10aChelation10aCyclitol10aInositol10aProtecting group1 aDevaraj, Subramanian1 aJagdhane, Rajendra, C.1 aShashidhar, Mysore, S. uhttps://library.ncl.res.in/content/relative-reactivity-hydroxyl-groups-inositol-derivatives-role-metal-ion-chelation-000518nas a2200169 4500008004100000245005500041210005400096260000900150300001200159490000700171100001700178700001300195700001700208700002000225700001300245856009000258 2009 eng d00aResponsive assemblies and microgel-based materials0 aResponsive assemblies and microgelbased materials c2009 a865-8740 v381 aLyon, Andrew1 aMeng, Z.1 aSingh, Neetu1 aSorrell, C., D.1 aJohn, A. uhttps://library.ncl.res.in/content/responsive-assemblies-and-microgel-based-materials01794nas a2200229 4500008004100000022001400041245007000055210006900125260011100194300001200305490000700317520093200324653001901256653001801275653002101293653005601314653001501370100002601385700002601411700002601437856010101463 2009 eng d a1386-207300aReview on lazy learning regressors and their applications in QSAR0 aReview on lazy learning regressors and their applications in QSA aEXECUTIVE STE Y26, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATESbBENTHAM SCIENCE PUBL LTDcMAY a440-4500 v123 a

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

10aclassification10alazy learning10amachine learning10aQuantitative structure activity relationship (QSAR)10aregression1 aKulkarni, Abhijit, J.1 aJayaraman, Valadi, K.1 aKulkarni, Bhaskar, D. uhttps://library.ncl.res.in/content/review-lazy-learning-regressors-and-their-applications-qsar-002488nas a2200157 4500008004100000022001400041245010600055210006900161260007100230300001600301490000800317520183900325100001802164700001902182856012902201 2009 eng d a1520-610600aSelf-assembled cylindrical and vesicular molecular templates for polyaniline nanofibers and nanotapes0 aSelfassembled cylindrical and vesicular molecular templates for  a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcAUG a11614-116240 v1133 a

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

1 aAnilkumar, P.1 aJayakannan, M. uhttps://library.ncl.res.in/content/self-assembled-cylindrical-and-vesicular-molecular-templates-polyaniline-nanofibers-and-002288nas a2200181 4500008004100000022001400041245011900055210006900174260007100243300001400314490000700328520154400335100002401879700002101903700002301924700003201947856012701979 2009 eng d a0888-588500aSelf-similar dynamics of a flexible ring polymer in a fixed obstacle environment: a coarse-grained molecular model0 aSelfsimilar dynamics of a flexible ring polymer in a fixed obsta a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcNOV a9514-95220 v483 a

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

1 aIyer, Balaji, V. S.1 aLele, Ashish, K.1 aJuvekar, Vinay, A.1 aMashelkar, Raghunath, Anant uhttps://library.ncl.res.in/content/self-similar-dynamics-flexible-ring-polymer-fixed-obstacle-environment-coarse-grained-001909nas a2200301 4500008004100000022001400041245012900055210006900184260007400253300001400327490000700341520085400348653002201202653004101224653003201265653002201297653001501319653002301334100001501357700001601372700001101388700001401399700001401413700002201427700002501449700001301474856012001487 2009 eng d a0141-549200aSimple and efficient enzymatic transglycosylation of stevioside by beta-cyclodextrin glucanotransferase from Bacillus firmus0 aSimple and efficient enzymatic transglycosylation of stevioside  aVAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDSbSPRINGERcSEP a1415-14200 v313 a

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

10abeta-cyclodextrin10abeta-Cyclodextrin glucanotransferase10aMicrowave-assisted reaction10aStevia rebaudiana10aStevioside10aTransglycosylation1 aJaitak, V.1 aKaul, Kumar1 aBandna1 aKumar, N.1 aSingh, B.1 aSavergave, L., S.1 aJogdand, Vitthal, V.1 aNene, S. uhttps://library.ncl.res.in/content/simple-and-efficient-enzymatic-transglycosylation-stevioside-beta-cyclodextrin-001562nas a2200241 4500008004100000022001400041245010800055210006900163260009200232300001200324490000600336520069000342653001501032653001201047653002401059653001801083653002001101653001701121100001801138700002501156700002001181856011901201 2009 eng d a1947-293500aSingle step synthesis and properties of M/MFe2O4 and PVDF/M/MFe2O4 (M = Co, Ni) magnetic nanocomposites0 aSingle step synthesis and properties of MMFe2O4 and PVDFMMFe2O4  a26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USAbAMER SCIENTIFIC PUBLISHERScDEC a262-2680 v13 a

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

10aDielectric10aFerrite10amagnetic properties10aNanocomposite10aNanocrystalline10apermeability1 aDeka, Sasanka1 aJoy, Pattayil, Alias1 aKumar, Pratheep uhttps://library.ncl.res.in/content/single-step-synthesis-and-properties-mmfe2o4-and-pvdfmmfe2o4-m-co-ni-magnetic-001799nas a2200229 4500008004100000022001400041245009900055210006900154260007400223300001200297490000700309520099100316653001901307653001901326653002501345653001401370653000801384100001401392700001901406700002501425856011901450 2009 eng d a1388-076400aSolid state synthesis and room temperature magnetic properties of iron phosphide nanoparticles0 aSolid state synthesis and room temperature magnetic properties o aVAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDSbSPRINGERcFEB a491-4970 v113 a

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

10aIron phosphide10aSemiconductors10aSolid state reaction10asynthesis10aXRD1 aSingh, N.1 aKhanna, P., K.1 aJoy, Pattayil, Alias uhttps://library.ncl.res.in/content/solid-state-synthesis-and-room-temperature-magnetic-properties-iron-phosphide-001758nas a2200181 4500008004100000022001400041245007500055210006900130260007100199300001400270490000700284520108000291100003001371700002101401700002301422700002201445856010901467 2009 eng d a0888-588500aSolid suspension and liquid phase mixing in solid-liquid stirred tanks0 aSolid suspension and liquid phase mixing in solidliquid stirred  a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcNOV a9713-97220 v483 a

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

1 aSardeshpande, Madhavi, V.1 aSagi, Aparna, R.1 aJuvekar, Vinay, A.1 aRanade, Vivek, V. uhttps://library.ncl.res.in/content/solid-suspension-and-liquid-phase-mixing-solid-liquid-stirred-tanks-001661nas a2200241 4500008004100000022001400041245014700055210006900202260010600271300001400377490000700391520069900398653001901097653002201116653001601138653001601154100002501170700002501195700002601220700002301246700002001269856013001289 2009 eng d a0040-403900aStereo-controlled approach to pyrrolidine iminosugar C-glycosides and 1,4-dideoxy-1,4-imino-L-allitol using a D-mannose-derived cyclic nitrone0 aStereocontrolled approach to pyrrolidine iminosugar Cglycosides  aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcDEC a6906-69080 v503 a

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

10aCyclic nitrone10aEnzyme inhibitors10aIminosugars10apyrrolidine1 aBande, Omprakash, P.1 aJadhav, Vrushali, H.1 aPuranik, Vedavati, G.1 aDhavale, Dilip, D.1 aLombardo, Marco uhttps://library.ncl.res.in/content/stereo-controlled-approach-pyrrolidine-iminosugar-c-glycosides-and-14-dideoxy-14-imino-l-002007nas a2200289 4500008004100000022001400041245010200055210006900157260006900226300001200295490000800307520093700315653002501252653002601277653003501303653001901338653005001357653002201407653002201429100001901451700002501470700002101495700001801516700002201534700003301556856012801589 2009 eng d a0925-838800aOn the structural, magnetic and electrical properties of sol-gel derived nanosized cobalt ferrite0 astructural magnetic and electrical properties of solgel derived  aPO BOX 564, 1001 LAUSANNE, SWITZERLANDbELSEVIER SCIENCE SAcOCT a711-7170 v4853 a

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

10aElectronic Transport10aMagnetic measurements10aMagnetically ordered materials10aNanostructures10aScanning and transmission electron microscopy10aSol-gel synthesis10aX-ray diffraction1 aGopalan, Veena1 aJoy, Pattayil, Alias1 aAl-Omari, I., A.1 aKumar, Sakthi1 aYoshida, Yasuhiko1 aAnantharaman, Maliemadom, R. uhttps://library.ncl.res.in/content/structural-magnetic-and-electrical-properties-sol-gel-derived-nanosized-cobalt-ferrite-001583nas a2200145 4500008004100000022001400041245006100055210006000116260008900176300000800265520102900273100002001302700002401322856009101346 2009 eng d a1618-722900aStudy of dielectric behavior in PVDF/clay nanocomposites0 aStudy of dielectric behavior in PVDFclay nanocomposites a1, QUAI LEZAY-MARNESIA, F067000 STRASBOURG, FRANCEbEUROPEAN POLYMER FEDERATIONcSEP a1123 a

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

1 aChanmal, Chetan1 aJog, Jyoti, Prakash uhttps://library.ncl.res.in/content/study-dielectric-behavior-pvdfclay-nanocomposites-001446nas a2200205 4500008004100000022001400041245010700055210006900162260009500231300001200326490000600338520063300344653002400977653001801001653002301019653002301042100002101065700002501086856012901111 2009 eng d a1941-490000aSuperparamagnetic nanocomposite of magnetite and activated carbon for removal of dyes from waste water0 aSuperparamagnetic nanocomposite of magnetite and activated carbo a25650 NORTH LEWIS WAY, STEVENSON RANCH, CA 91381-1439 USAbAMER SCIENTIFIC PUBLISHERScDEC a171-1750 v13 a

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

10aMagnetic Separation10aNanocomposite10aSuperparamagnetism10aWater Purification1 aThakuria, Pankaj1 aJoy, Pattayil, Alias uhttps://library.ncl.res.in/content/superparamagnetic-nanocomposite-magnetite-and-activated-carbon-removal-dyes-waste-water-002443nas a2200289 4500008004100000022001400041245012500055210006900180260007300249300001200322490000700334520143500341653001301776653002201789653001101811653003401822653002001856653000901876653002201885653000901907100001901916700002801935700001901963700002001982700002302002856012802025 2009 eng d a0926-337300aSupport modification to improve the sulphur tolerance of Ag/Al2O3 for SCR of NOx with propene under lean-burn conditions0 aSupport modification to improve the sulphur tolerance of AgAl2O3 aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcAUG a416-4250 v903 a

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

10aAg/Al2O310aAluminum sulphate10aDRIFTS10aSelective catalytic reduction10aSilver sulphate10aSiO210aSulphur tolerance10aTiO21 aJagtap, Neelam1 aUmbarkar, Shubhangi, B.1 aMiquel, Pierre1 aGranger, Pascal1 aDongare, Mohan, K. uhttps://library.ncl.res.in/content/support-modification-improve-sulphur-tolerance-agal2o3-scr-nox-propene-under-lean-burn-002364nas a2200157 4500008004100000022001400041245008500055210006900140260007100209300001400280490000800294520174500302100002002047700001902067856012002086 2009 eng d a1520-610600aSupramolecular ring banded prototype liquid crystalline oligo(phenylenevinylene)0 aSupramolecular ring banded prototype liquid crystalline oligophe a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcAPR a5083-50910 v1133 a

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

1 aAmrutha, S., R.1 aJayakannan, M. uhttps://library.ncl.res.in/content/supramolecular-ring-banded-prototype-liquid-crystalline-oligophenylenevinylene-001416nas a2200217 4500008004100000022001400041245009900055210006900154260007700223300001200300490000600312520060300318100002500921700001900946700001800965700002000983700002401003700002001027700002101047856013001068 2009 eng d a1612-187200aSusceptibility of aedes aegypti and culex quinquefasciatus larvae to gedunin-related limonoids0 aSusceptibility of aedes aegypti and culex quinquefasciatus larva aPO BOX 10 11 61, D-69451 WEINHEIM, GERMANYbWILEY-V C H VERLAG GMBHcJUN a897-9020 v63 a

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

1 aGurulingappa, Hallur1 aTare, Vrushali1 aPawar, Pushpa1 aTungikar, Vijay1 aJorapur, Yogesh, R.1 aMadhavi, Sriram1 aBhat, Sujata, V. uhttps://library.ncl.res.in/content/susceptibility-aedes-aegypti-and-culex-quinquefasciatus-larvae-gedunin-related-limonoids-001956nas a2200265 4500008004100000022001400041245007000055210006900125260006800194300001400262490000800276520107900284653001401363653001501377653001801392653001401410653002301424100001801447700002501465700001901490700002201509700002801531700002701559856010401586 2009 eng d a0021-899500aSynthesis and characterization of novel schiff base polyurethanes0 aSynthesis and characterization of novel schiff base polyurethane a111 RIVER ST, HOBOKEN, NJ 07030 USAbJOHN WILEY & SONS INCcSEP a2747-27540 v1133 a

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

10aamorphous10aMorphology10apolyurethanes10asynthesis10aThermal properties1 aRaghu, A., V.1 aGadaginamath, G., S.1 aJeong, Han, Mo1 aMathew, Nevin, T.1 aHalligudi, Shivaraj, B.1 aAminabhavi, Tejraj, M. uhttps://library.ncl.res.in/content/synthesis-and-characterization-novel-schiff-base-polyurethanes-001772nas a2200205 4500008004100000022001400041245012400055210006900179260007100248300001400319490000700333520095600340100002501296700002501321700002301346700002401369700002601393700002301419856012401442 2009 eng d a0022-326300aSynthesis and conformational study of chiral oxepines: the baylis-hillman reaction and RCM approach with sugar aldehyde0 aSynthesis and conformational study of chiral oxepines the baylis a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcSEP a6486-64940 v743 a

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

1 aJadhav, Vrushali, H.1 aBande, Omprakash, P.1 aPinjari, Rahul, V.1 aGejji, Shridhar, P.1 aPuranik, Vedavati, G.1 aDhavale, Dilip, D. uhttps://library.ncl.res.in/content/synthesis-and-conformational-study-chiral-oxepines-baylis-hillman-reaction-and-rcm-002452nas a2200229 4500008004100000022001400041245012000055210006900175260006800244300001400312490000700326520157900333653001701912653002101929653003301950653002701983653002202010653003302032100001402065700001702079856012602096 2009 eng d a0887-624X00aSynthesis and self-organization properties of copolyurethanes based on perylenediimide and naphthalenediimide units0 aSynthesis and selforganization properties of copolyurethanes bas a111 RIVER ST, HOBOKEN, NJ 07030 USAbJOHN WILEY & SONS INCcFEB a1224-12350 v473 a

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

10afluorescence10ahydrogen bonding10anaphthalene diimide polymers10apolyurethane copolymer10aself-organization10astructure-property relations1 aJancy, B.1 aAsha, S., K. uhttps://library.ncl.res.in/content/synthesis-and-self-organization-properties-copolyurethanes-based-perylenediimide-and-001532nas a2200253 4500008004100000022001400041245013100055210006900186260007300255300001000328490000800338520056900346653002100915653002800936653002700964653003200991653003301023653001401056100002101070700002001091700001701111700001801128856013201146 2009 eng d a0926-860X00aSynthesis, characterization and catalytic performance of Sn-MCM-48 in solvent-free Mukaiyama-type aldol condensation reactions0 aSynthesis characterization and catalytic performance of SnMCM48  aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcAPR a88-940 v3583 a

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

10aCharacterization10aheterogeneous catalysis10aHydrothermal synthesis10aMesoporous molecular sieves10aMukaiyama-aldol condensation10aSn-MCM-481 aTaralkar, U., S.1 aKalita, Pranjal1 aKumar, Rajiv1 aJoshi, P., N. uhttps://library.ncl.res.in/content/synthesis-characterization-and-catalytic-performance-sn-mcm-48-solvent-free-mukaiyama-type-001985nas a2200265 4500008004100000022001400041245014300055210006900198260006900267300001200336490000800348520101100356653002301367653001301390653001001403653003301413653002201446100002001468700001901488700002001507700002401527700002101551700002101572856012601593 2009 eng d a0925-838800aSynthesis, characterization and effect of sintering temperature on magnetic properties of MgNi ferrite prepared by co-precipitation method0 aSynthesis characterization and effect of sintering temperature o aPO BOX 564, 1001 LAUSANNE, SWITZERLANDbELSEVIER SCIENCE SAcMAY a926-9290 v4753 a

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

10aChemical synthesis10aFerrites10aFT-IR10ascanning electron microscopy10aX-ray diffraction1 aHankare, P., P.1 aJadhav, S., D.1 aSankpal, U., B.1 aChavan, Santosh, S.1 aWaghmare, K., J.1 aChougule, B., K. uhttps://library.ncl.res.in/content/synthesis-characterization-and-effect-sintering-temperature-magnetic-properties-mgni-001842nas a2200217 4500008004100000022001400041245009200055210006900147260007300216300001000289490000800299520101600307653002601323653002901349653001901378100002701397700002501424700001901449700003301468856012301501 2009 eng d a0921-510700aSynthesis of nickel-rubber nanocomposites and evaluation of their dielectric properties0 aSynthesis of nickelrubber nanocomposites and evaluation of their aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcJAN a24-310 v1563 a

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

10aDielectric relaxation10aInterfacial polarization10aNanocomposites1 aJamal, Muhammad, Abdul1 aJoy, Pattayil, Alias1 aKurian, Philip1 aAnantharaman, Maliemadom, R. uhttps://library.ncl.res.in/content/synthesis-nickel-rubber-nanocomposites-and-evaluation-their-dielectric-properties-001711nas a2200253 4500008004100000022001400041245009700055210006900152260005700221300001200278490000800290520085800298653001201156653001501168653001301183653002001196653001101216100002201227700001801249700001801267700002701285700002201312856012301334 2009 eng d a1011-372X00aSynthesis of N-methylaniline by aniline alkylation with methanol over Sn-MFI molecular sieve0 aSynthesis of Nmethylaniline by aniline alkylation with methanol  a233 SPRING ST, NEW YORK, NY 10013 USAbSPRINGERcNOV a175-1840 v1333 a

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

10aAniline10aLewis acid10aMethanol10aN-methylaniline10aSn-MFI1 aNiphadkar, P., S.1 aJoshi, P., N.1 aGurav, H., R.1 aDeshpande, Suvarna, S.1 aBokade, Vijay, V. uhttps://library.ncl.res.in/content/synthesis-n-methylaniline-aniline-alkylation-methanol-over-sn-mfi-molecular-sieve-001866nas a2200241 4500008004100000022001400041245009100055210006900146260007400215300001200289490000700301520101100308653002301319653002301342653001401365653001901379653002501398653002401423100002101447700002201468700001801490856011601508 2009 eng d a0928-070700aSynthesis of Si-MCM-41 from ternary SiO2-CTAOH-H2O system via dry gel conversion route0 aSynthesis of SiMCM41 from ternary SiO2CTAOHH2O system via dry ge aVAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDSbSPRINGERcAUG a244-2500 v513 a

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

10aDry gel conversion10apowder diffraction10aSi-MCM-4110aSol-gel growth10aStructural stability10aTextural properties1 aTaralkar, U., S.1 aNiphadkar, P., S.1 aJoshi, P., N. uhttps://library.ncl.res.in/content/synthesis-si-mcm-41-ternary-sio2-ctaoh-h2o-system-dry-gel-conversion-route-002427nas a2200241 4500008004100000022001400041245013100055210006900186260006900255300001200324490000800336520150300344653002001847653002301867653002601890653001101916100002801927700002701955700002601982700002202008700002502030856013002055 2009 eng d a0254-058400aTin-silicalite-1: synthesis by dry gel conversion, characterization and catalytic performance in phenol hydroxylation reaction0 aTinsilicalite1 synthesis by dry gel conversion characterization  aPO BOX 564, 1001 LAUSANNE, SWITZERLANDbELSEVIER SCIENCE SAcMAR a344-3490 v1143 a

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

10acrystallisation10aDry gel conversion10amicroporous materials10aSn-MFI1 aNiphadkar, Prashant, S.1 aKotwal, Mehejabeen, S.1 aDeshpande, Shilpa, S.1 aBokade, Vijay, V.1 aJoshi, Praphulla, N. uhttps://library.ncl.res.in/content/tin-silicalite-1-synthesis-dry-gel-conversion-characterization-and-catalytic-performance-001694nas a2200253 4500008004100000022001400041245008300055210006900138260009900207300001400306490000700320520079400327653001101121653002701132653001701159653001801176653002401194100001901218700002201237700002701259700002201286700001801308856011401326 2009 eng d a0016-236100aTransesterification of sunflower oil catalyzed by flyash-based solid catalysts0 aTransesterification of sunflower oil catalyzed by flyashbased so aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLANDbELSEVIER SCI LTDcSEP a1773-17780 v883 a

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

10aFlyash10aheterogeneous catalyst10aMethyl ester10aSunflower oil10atransesterification1 aKotwal, M., S.1 aNiphadkar, P., S.1 aDeshpande, Suvarna, S.1 aBokade, Vijay, V.1 aJoshi, P., N. uhttps://library.ncl.res.in/content/transesterification-sunflower-oil-catalyzed-flyash-based-solid-catalysts-002206nas a2200265 4500008004100000022001400041245008800055210006900143260007300212300001000285490000800295520125800303653001501561653001301576653002201589653003101611653003301642100002201675700002601697700002601723700002501749700002301774700002401797856011901821 2009 eng d a0926-860X00aVisible light induced photoreduction of methyl orange by N-doped mesoporous titania0 aVisible light induced photoreduction of methyl orange by Ndoped  aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcMAR a26-330 v3573 a

N-doped mesoporous titania was synthesized using templating method. Biopolymer chitosan was used as a template and also as a nitrogen source along with ammonium hydroxide. Three different types of N-doped mesoporous titania were synthesized by varying composition of chitosan and titania precursor. These photocatalysts were characterized using XRD, BET-SA, FTIR, UV-DRS, SEM-EDX and XPS analysis. The photocatalytic activity of mesoporous titania was studied by methyl orange (MO) photoreduction reaction. From the experimental results it was observed that the N-doped mesoporous titania (1:2) gives the highest photocatalytic reduction of MO as compared to N-doped mesoporous titania prepared with (1:1) and (1:3) stoichiometry. This could be due to the optimal level of `N' incorporation in the N-doped mesoporous titania (1:2). Photocatalysts reduce the MO dye into derivative of hydrazine. Photoactivity of N-doped mesoporous titania (1:2) is 1.0721 mg of MO reduced per g of TiO2 vis-a-vis 0.508 mg of MO reduced per g of TiO2 for Degussa P25 photocatalyst. The effect of various operating parameters like photocatalyst loading. initial concentration and intensity of light also has been studied. (C) 2009 Elsevier B.V. All rights reserved.

10abiopolymer10aChitosan10aMO photoreduction10aN-doped mesoporous titania10aVisible active photocatalyst1 aJoshi, Meenal, M.1 aLabhsetwar, Nitin, K.1 aMangrulkar, Priti, A.1 aTijare, Saumitra, N.1 aKamble, Sanjay, P.1 aRayalu, Sadhana, S. uhttps://library.ncl.res.in/content/visible-light-induced-photoreduction-methyl-orange-n-doped-mesoporous-titania-001904nas a2200265 4500008004100000022001400041245012400055210006900179260007300248300001200321490000700333520090600340653001901246653005301265653002201318653001701340653003801357100002101395700002301416700001701439700002501456700001801481700001701499856012201516 2010 eng d a0169-131700aAcidity tuning of montmorillonite K10 by impregnation with dodecatungstophosphoric acid and hydroxyalkylation of phenol0 aAcidity tuning of montmorillonite K10 by impregnation with dodec aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcMAR a164-1700 v483 a

Acidity tuning of montmorillonite K10 (mont K10) was achieved by impregnating with dodecatungstophosphoric acid (DTP). The effect on the hydroxyalkylation of phenol was studied at 353 K with phenol to formaldehyde molar ratio of 5. The nature and strength of acid sites were determined by NH(3)-TPD measurement while the distribution of Brensted and Lewis acid sites expressed as B/L ratio, was determined by pyridine IR technique. Among various loadings of DTP (5-60%) studied for the hydroxyalkylation of phenol, 20% DTP/mont K10 showed the highest catalyst activity (90% selectivity to bisphenol F with 28% conversion of phenol). Both total concentration of acid sites and the distribution of acid sites in a high temperature region were required for the high bisphenol F selectivity. Our catalyst (20% DTP/Mont K10) could be recycled three times. (C) 2009 Elsevier B.V. All rights reserved.

10aAcidity tuning10aDodecatungstophosphoric acid/Montmorillonite K1010aHydroxyalkylation10aImpregnation10aTemperature programmed desorption1 aGarade, Ajit, C.1 aKshirsagar, V., S.1 aMane, R., B.1 aGhalwadkar, Ajay, A.1 aJoshi, U., D.1 aRode, C., V. uhttps://library.ncl.res.in/content/acidity-tuning-montmorillonite-k10-impregnation-dodecatungstophosphoric-acid-and-002517nas a2200217 4500008004100000022001400041245021100055210006900266260007100335300001400406490000700420520157400427100001902001700003102020700002402051700002202075700002402097700003002121700002502151856012302176 2010 eng d a0743-746300aAdsorption induced enzyme denaturation: the role of polymer hydrophobicity in adsorption and denaturation of alpha-chymotrypsin on allyl glycidyl ether (AGE)-ethylene glycol dimethacrylate (EGDM) copolymers0 aAdsorption induced enzyme denaturation the role of polymer hydro a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcJAN a1096-11060 v263 a

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

1 aLahari, Challa1 aJasti, Lakshmi, Swarnalath1 aFadnavis, Nitin, W.1 aSontakke, Kalpana1 aIngavle, Ganesh, C.1 aDeokar, Sarika, Babasaheb1 aPonrathnam, Surendra uhttps://library.ncl.res.in/content/adsorption-induced-enzyme-denaturation-role-polymer-hydrophobicity-adsorption-and-003186nas a2200289 4500008004100000022001400041245006600055210006300121260008700184300001000271490000800281520220700289653002702496653002602523653002502549653002102574653002902595653001902624100002002643700002802663700001402691700001702705700003102722700002102753700002502774856009702799 2010 eng d a0971-591600aAntibacterial & antiplasmid activities of Helicteres isora L.0 aAntibacterial antiplasmid activities of Helicteres isora L aPO BOX 4911 ANSARI NAGAR, NEW DELHI 110029, INDIAbINDIAN COUNCIL MEDICAL REScJUL a94-990 v1323 a

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

10aantibacterial activity10aAntibiotic resistance10aantiplasmid activity10aHelicteres isora10amultiple drug resistance10aplasmid-curing1 aShriram, Varsha1 aJahagirdar, Sheetal, S.1 aLatha, C.1 aKumar, Vinay1 aDhakephalkar, Prashant, K.1 aRojatkar, Supada1 aShitole, Mahadeo, G. uhttps://library.ncl.res.in/content/antibacterial-antiplasmid-activities-helicteres-isora-l-001093nas a2200217 4500008004100000020002200041022001400063245008700077210006900164260007200233300001200305520028700317100002600604700001800630700001800648700002200666700002100688700002300709700002200732856012100754 2010 eng d a978-3-642-10321-6 a1570-659100aChemical shielding of closed-shell molecules using extended coupled-cluster theory0 aChemical shielding of closedshell molecules using extended coupl a233 Spring Street, New York, NY 10013, United StatesbSpringercMAR a111-1213 a

In this paper we report calculation of the nuclear magnetic shielding constant using extended coupled cluster response approach. We present the results for the HF, BH, CO and N(2) molecules. These results show importance of correlation corrections for the shielding constant.

1 aRavichandran, Lalitha1 aJoshi, Sayali1 aVaval, Nayana1 aChaudhuri, R., K.1 aMekkaden, M., V.1 aRaveendran, A., V.1 aNarayanan, A., S. uhttps://library.ncl.res.in/content/chemical-shielding-closed-shell-molecules-using-extended-coupled-cluster-theory-001510nas a2200217 4500008004100000022001400041245005400055210005300109260010300162300001000265490000700275520078400282100001401066700001601080700002501096700001801121700001501139700001701154700003301171856008801204 2010 eng d a0295-507500aColossal thermoelectric power in Gd-Sr manganites0 aColossal thermoelectric power in GdSr manganites a6 RUE DES FRERES LUMIERE, MULHOUSE, 68200, FRANCEbEPL ASSOCIATION, EUROPEAN PHYSICAL SOCIETYcJUL a170080 v913 a

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

1 aSagar, S.1 aGanesan, V.1 aJoy, Pattayil, Alias1 aThomas, Senoy1 aLiebig, A.1 aAlbrecht, M.1 aAnantharaman, Maliemadom, R. uhttps://library.ncl.res.in/content/colossal-thermoelectric-power-gd-sr-manganites-002024nas a2200289 4500008004100000022001400041245014200055210006900197260007600266300001400342490000600356520097700362653001201339653002801351653001801379653002501397653001201422100001401434700001701448700003501465700002101500700002101521700001801542700002201560700002201582856013001604 2010 eng d a1867-388000aCovalently immobilized triphenylphosphine rhodium complex: synthesis, characterization, and application in catalytic olefin hydrogenation0 aCovalently immobilized triphenylphosphine rhodium complex synthe aCOMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USAbWILEY-BLACKWELLcNOV a1477-14820 v23 a

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

10aalkenes10aheterogeneous catalysis10aHydrogenation10amesoporous materials10aRhodium1 aWang, Lei1 aJia, Mingjun1 aShylesh, Sankaranarayanapillai1 aPhilippi, Thomas1 aSeifert, Andreas1 aErnst, Stefan1 aSingh, Anand, Pal1 aThiel, Werner, R. uhttps://library.ncl.res.in/content/covalently-immobilized-triphenylphosphine-rhodium-complex-synthesis-characterization-and-002351nas a2200193 4500008004100000022001400041245010100055210006900156260011000225300001400335490000700349520156800356100001901924700001701943700002201960700002301982700002602005856012602031 2010 eng d a1463-926200aD-(-)-Lactic acid production from cellobiose and cellulose by Lactobacillus lactis mutant RM2-240 aDLactic acid production from cellobiose and cellulose by Lactoba aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcMAY a1106-11090 v123 a

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

1 aSinghvi, Mamta1 aJoshi, Dipti1 aAdsul, Mukund, G.1 aVarma, Anjanikumar1 aGokhale, Digambar, V. uhttps://library.ncl.res.in/content/d-lactic-acid-production-cellobiose-and-cellulose-lactobacillus-lactis-mutant-rm2-24-002407nas a2200289 4500008004100000020002200041022001400063245010400077210006900181260019400250300001200444490000900456520127500465653002101740653003301761653002101794653001901815653001801834100002501852700002801877700001901905700002701924700001501951700001201966700001201978856012701990 2010 eng d a978-0-7354-0854-8 a0094-243X00aDynamic modeling of hydro- formylation of 1-decene on Rh/C catalyst in bubble colunm slurry reactor0 aDynamic modeling of hydro formylation of 1decene on RhC catalyst a2 Huntington Quadrangle, STE 1NO1, Melville, NY 11747-4501 USAbNatl Inst Technol Durgapur; SERC, Dept Sci & Technol; Caledonian Coll Engn; BRNS, Dept Atom Energy; DRDO, Minist DefencecOCT a143-1500 v12983 a

A dynamic model has been developed for the bubble column slurry reactor operating under non-isothermal conditions. The model consists of mass and heat balance equations for the gas and liquid phases and the catalyst particle. The model equations consisted of partial differential equations (PDE) which were converted to ordinary differential equations (ODE) by using finite difference relationships for the spatial derivatives and the ordinary differential equations for the time derivatives (Numerical Method of Lines-NMoL). The model was applied to describe the dynamic behaviour of bubble column slurry reactor during the hydroformylation of 1-decene on Rh/C catalyst. Model simulations were performed to obtain a meaningful path to steady state and to reproduce the other characteristics of the dynamic behaviour of the reactor. Under given conditions, the reaction required approximately 3750 seconds to reach the steady state concentrations at various reactor positions. It was observed with increase in the fluid velocities, the dynamics of the system was altered to 2500 seconds to reach the steady state condition. The effect of axial dispersion on the substrate concentration and the temperature rise along the reactor was further studied and discussed.

10aaxial dispersion10abubble column slurry reactor10aDynamic modeling10amethod of line10aPDE solutions1 aUpkare, Makarand, M.1 aRajurkar, Kalpendra, B.1 aDas, Samir, K.1 aJaganathan, Rengaswamy1 aParuya, S.1 aKar, S.1 aRoy, S. uhttps://library.ncl.res.in/content/dynamic-modeling-hydro-formylation-1-decene-rhc-catalyst-bubble-colunm-slurry-reactor-002004nas a2200217 4500008004100000022001400041245009300055210006900148260007300217300001200290490000800302520123300310653001401543653002201557653001301579653001901592653001701611100001801628700002301646856011701669 2010 eng d a0921-510700aEffect of additives on the co-electrodeposition of Sn-Ag-Cu lead-free solder composition0 aEffect of additives on the coelectrodeposition of SnAgCu leadfre aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcAPR a219-2230 v1683 a

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

10aAdditives10aLead-free solders10aSn-Ag-Cu10aSolder bumping10aTernary bath1 aJoseph, Shany1 aPhatak, Girish, J. uhttps://library.ncl.res.in/content/effect-additives-co-electrodeposition-sn-ag-cu-lead-free-solder-composition-002054nas a2200205 4500008004100000022001400041245010900055210006900164260007100233300001400304490000800318520127800326100002001604700001401624700001901638700002501657700002701682700001901709856012001728 2010 eng d a1932-744700aEffect of reduced particle size on the magnetic properties of chemically synthesized BiFeO3 nanocrystals0 aEffect of reduced particle size on the magnetic properties of ch a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcFEB a2108-21150 v1143 a

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

1 aJaiswal, Adhish1 aDas, Raja1 aVivekanand, K.1 aAbraham, Priya, Mary1 aAdyanthaya, Suguna, D.1 aPoddar, Pankaj uhttps://library.ncl.res.in/content/effect-reduced-particle-size-magnetic-properties-chemically-synthesized-bifeo3-001972nas a2200253 4500008004100000022001400041245008700055210006900142260009500211300001400306490000700320520108100327653001901408653001001427653002201437653001601459653001801475653001501493100002301508700002201531700002401553700002601577856011501603 2010 eng d a0147-651300aEfficient industrial dye decolorization by Bacillus sp. VUS with its enzyme system0 aEfficient industrial dye decolorization by Bacillus sp VUS with  a525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USAbACADEMIC PRESS INC ELSEVIER SCIENCEcOCT a1696-17030 v733 a

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

10aDecolorization10aGC-MS10aLignin peroxidase10aOrange T4LL10aPhytotoxicity10aReductases1 aDawkar, Vishal, V.1 aJadhav, Umesh, U.1 aTamboli, Dhawal, P.1 aGovindwar, Sanjay, P. uhttps://library.ncl.res.in/content/efficient-industrial-dye-decolorization-bacillus-sp-vus-its-enzyme-system-002208nas a2200217 4500008004100000022001400041245012400055210006900179260011000248300001400358490000700372520133700379100001601716700002201732700001801754700001801772700002501790700002301815700002501838856012701863 2010 eng d a1463-907600aElucidation of the role of hexamine and other precursors in the formation of magnetite nanorods and their stoichiometry0 aElucidation of the role of hexamine and other precursors in the  aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcFEB a3246-32530 v123 a

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

1 aSingh, Hema1 aBhagwat, Shrikant1 aJouen, Samuel1 aLefez, Benoit1 aAthawale, Anjali, A.1 aHannoyer, Beatrice1 aOgale, Satishchandra uhttps://library.ncl.res.in/content/elucidation-role-hexamine-and-other-precursors-formation-magnetite-nanorods-and-their-001100nas a2200181 4500008004100000022001400041245014500055210006900200260010600269300001400375490000700389520030100396100002700697700002400724700002400748700002300772856012300795 2010 eng d a0040-403900aEnantioselective synthesis of (R)-(+)-alpha-lipoic acid via proline-catalyzed sequential alpha-aminoxylation and HWE olefination of aldehyde0 aEnantioselective synthesis of Ralphalipoic acid via prolinecatal aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcJUL a3587-35890 v513 a

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

1 aPanchgalle, Sharad, P.1 aJogdand, Ganesh, F.1 aChavan, Subhash, P.1 aKalkote, Uttam, R. uhttps://library.ncl.res.in/content/enantioselective-synthesis-r-alpha-lipoic-acid-proline-catalyzed-sequential-alpha-001179nas a2200169 4500008004100000022001400041245018400055210006900239260007100308300001400379490000700393520041400400100002000814700002700834700001900861856012900880 2010 eng d a1523-706000aEnantioselective synthesis of syn/anti-1,3-amino alcohols via proline-catalyzed sequential alpha-aminoxylation/alpha-amination and horner-wadsworth-emmons olefination of aldehydes0 aEnantioselective synthesis of synanti13amino alcohols via prolin a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcJUN a2762-27650 v123 a

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

1 aJha, Vishwajeet1 aKondekar, Nagendra, B.1 aKumar, Pradeep uhttps://library.ncl.res.in/content/enantioselective-synthesis-synanti-13-amino-alcohols-proline-catalyzed-sequential-alpha-001993nas a2200265 4500008004100000022001400041245013600055210006900191260010600260300001200366490000800378520095700386653002001343653001001363653003101373653002401404100002101428700002301449700002001472700002301492700002901515700003201544700002501576856012601601 2010 eng d a0038-109800aEvidence for the co-existence of distorted tetrahedral and trigonal bipyramidal aluminium sites in SrAl12O19 from Al-27 NMR studies0 aEvidence for the coexistence of distorted tetrahedral and trigon aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcJAN a262-2660 v1503 a

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

10aLocal structure10aMQMAS10aNuclear magnetic resonance10aStrontium aluminate1 aHarindranath, K.1 aViswanath, Anusree1 aChandran, Vinod1 aBraeuniger, Thomas1 aMadhu, Perunthiruthy, K.1 aAjithkumar, Thalasseril, G.1 aJoy, Pattayil, Alias uhttps://library.ncl.res.in/content/evidence-co-existence-distorted-tetrahedral-and-trigonal-bipyramidal-aluminium-sites-002141nas a2200265 4500008004100000022001400041245015400055210006900209260010600278300001400384490000700398520101700405653003501422653001801457653005001475653002601525653001301551653003801564653004801602100002401650700002401674700002501698700002301723856012901746 2010 eng d a0013-468600aFabrication, characterization and electrochemical performance of single strand carbon fiber prepared by catalytic chemical vapor decomposition method0 aFabrication characterization and electrochemical performance of  aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcFEB a2022-20280 v553 a

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

10aalpha-Methylferrocene methanol10aAscorbic acid10aCatalytic chemical vapor decomposition (CCVD)10aCylindrical diffusion10adopamine10aHexaammineruthenium(III) chloride10aSingle strand carbon fiber (SSCF) electrode1 aJoshi, Vrushali, S.1 aGokhale, Suresh, P.1 aPatil, Kashinath, R.1 aHaram, Santosh, K. uhttps://library.ncl.res.in/content/fabrication-characterization-and-electrochemical-performance-single-strand-carbon-fiber-001688nas a2200289 4500008004100000022001400041245008700055210006900142260009200211300001800303490000600321520071700327653001801044653001101062653001101073653001901084653001401103653000901117100002101126700002401147700001401171700002301185700002201208700003001230700002001260856011801280 2010 eng d a1745-808000aFabrication of In-doped SnO2 nanowire arrays and its field emission investigations0 aFabrication of Indoped SnO2 nanowire arrays and its field emissi a4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLANDbTAYLOR & FRANCIS LTDcDEC aPII 9312836630 v53 a

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

10acold cathodes10adevice10aDoping10afield emission10aNanowires10aSnO21 aBhise, Ashok, B.1 aLate, Dattatray, J.1 aSathe, B.1 aMore, Mahendra, A.1 aMulla, Imtiaz, S.1 aPillai, Vijayamohanan, K.1 aJoag, Dilip, S. uhttps://library.ncl.res.in/content/fabrication-doped-sno2-nanowire-arrays-and-its-field-emission-investigations-001783nas a2200265 4500008004100000022001400041245007000055210006900125260006900194300001200263490000800275520088300283653002401166653002501190653002501215653002301240653001901263653001901282100001901301700001901320700001601339700002501355700003301380856010401413 2010 eng d a0925-838800aFlexible microwave absorber based on nickel ferrite nanocomposite0 aFlexible microwave absorber based on nickel ferrite nanocomposit aPO BOX 564, 1001 LAUSANNE, SWITZERLANDbELSEVIER SCIENCE SAcJAN a297-3030 v4893 a

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

10aCavity perturbation10aComplex permeability10aComplex permittivity10aMicrowave absorber10aNanocomposites10aNickel ferrite1 aSunny, Vijutha1 aKurian, Philip1 aMohanan, P.1 aJoy, Pattayil, Alias1 aAnantharaman, Maliemadom, R. uhttps://library.ncl.res.in/content/flexible-microwave-absorber-based-nickel-ferrite-nanocomposite-002016nas a2200277 4500008004100000022001400041245011600055210006900171260009900240300001400339490000800353520100300361653002801364653001501392653001701407653003201424100001801456700002201474700001401496700001701510700001601527700002101543700002101564700002601585856012701611 2010 eng d a0960-852400aFlocculation of dimorphic yeast benjaminiella poitrasii is altered by modulation of NAD-glutamate dehydrogenase0 aFlocculation of dimorphic yeast benjaminiella poitrasii is alter aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLANDbELSEVIER SCI LTDcFEB a1393-13950 v1013 a

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

10aBenjaminiella poitrasii10adimorphism10aflocculation10aNAD-glutamate dehydrogenase1 aJoshi, C., V.1 aGhormade, Vandana1 aKunde, P.1 aKulkarni, P.1 aMamgain, H.1 aBhat, Suresh, K.1 aPaknikar, K., M.1 aDeshpande, Mukund, V. uhttps://library.ncl.res.in/content/flocculation-dimorphic-yeast-benjaminiella-poitrasii-altered-modulation-nad-glutamate-001728nas a2200313 4500008004100000022001400041245014500055210006900200260010600269300001200375490000700387520055600394653001500950653002000965653001800985653001601003100002501019700002401044700003101068700002801099700002501127700002101152700002701173700001601200700002301216700002401239700002201263856012901285 2010 eng d a0960-894X00aFluconazole analogues containing 2H-1,4-benzothiazin-3(4H)-one or 2H-1,4-benzoxazin-3(4H)-one moieties, a novel class of anti-Candida agents0 aFluconazole analogues containing 2H14benzothiazin34Hone or 2H14b aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcJAN a722-7250 v203 a

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

10aantifungal10aBenzothiazinone10aBenzoxazinone10aFluconazole1 aBorate, Hanumant, B.1 aMaujan, Suleman, R.1 aSawargave, Sangmeshwer, P.1 aChandavarkar, Mohan, A.1 aVaiude, Sharangi, R.1 aJoshi, Vinay, A.1 aWakharkar, Radhika, D.1 aIyer, Ramki1 aKelkar, Ramesh, G.1 aChavan, Subhash, P.1 aKunte, Sunita, S. uhttps://library.ncl.res.in/content/fluconazole-analogues-containing-2h-14-benzothiazin-34h-one-or-2h-14-benzoxazin-34h-one-001602nas a2200253 4500008004100000022001400041245010500055210006900160260007100229300001400300490000600314520069700320653001901017653002501036653001901061653001701080653000801097100002601105700002301131700002001154700002201174700003001196856012201226 2010 eng d a1936-085100aFowler-nordheim plot behavior and mechanism of field electron emission from ZnO tetrapod structures 0 aFowlernordheim plot behavior and mechanism of field electron emi a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcOCT a5585-55900 v43 a

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

10afield emission10aFowler-Nordheim plot10aNanostructures10anonlinearity10aZnO1 aAl-Tabbakh, Ahmed, A.1 aMore, Mahendra, A.1 aJoag, Dilip, S.1 aMulla, Imtiaz, S.1 aPillai, Vijayamohanan, K. uhttps://library.ncl.res.in/content/fowler-nordheim-plot-behavior-and-mechanism-field-electron-emission-zno-tetrapod-000792nas a2200181 4500008004100000022001400041245012900055210006900184260007100253490000800324100002600332700002400358700002600382700002500408700002300433700002700456856012700483 2010 eng d a0065-772700aGlycerine to renewable amino alcohol: reaction mechanism and kinetics of the catalytic reductive amination of hydroxyacetone0 aGlycerine to renewable amino alcohol reaction mechanism and kine a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcMAR0 v2391 aArredondo, Victor, M.1 aGibson, Michael, S.1 aFairweather, Neil, T.1 aDaniels, Angella, C.1 aKreuzer, David, P.1 aJaganathan, Rengaswamy uhttps://library.ncl.res.in/content/glycerine-renewable-amino-alcohol-reaction-mechanism-and-kinetics-catalytic-reductive-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-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-bifeo3-001979nas 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-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-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-001632nas a2200193 4500008004100000022001400041245008400055210006900139260007100208300001400279490000700293520090800300100002501208700001601233700002101249700002101270700002901291856011801320 2010 eng d a0888-588500aImmobilized palladium nanoparticles catalyzed oxidative carbonylation of amines0 aImmobilized palladium nanoparticles catalyzed oxidative carbonyl a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcFEB a1027-10320 v493 a

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

1 aDidgikar, Mahesh, R.1 aRoy, Debdut1 aGupte, Sunil, P.1 aJoshi, Sunil, S.1 aChaudhari, Raghunath, V. uhttps://library.ncl.res.in/content/immobilized-palladium-nanoparticles-catalyzed-oxidative-carbonylation-amines-001815nas a2200253 4500008004100000022001400041245013700055210006900192260007300261300001000334490000800344520087200352653001701224653001401241653002401255653001401279653002301293100002701316700002501343700002401368700002101392700002201413856012601435 2010 eng d a0921-510700aInfluence of filler size and morphology in controlling the thermal emissivity of aluminium/polymer composites for space applications0 aInfluence of filler size and morphology in controlling the therm aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcAPR a40-440 v1683 a

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

10aCamouflaging10aComposite10adielectric constant10aInfra-red10aThermal emissivity1 aBabrekar, Harshada, A.1 aKulkarni, Naveen, V.1 aJog, Jyoti, Prakash1 aMathe, Vikas, L.1 aBhoraskar, S., V. uhttps://library.ncl.res.in/content/influence-filler-size-and-morphology-controlling-thermal-emissivity-aluminiumpolymer-002206nas a2200265 4500008004100000022001400041245009500055210006900150260010600219300001400325490000700339520123800346653001901584653001801603653001601621653002001637653002201657100002801679700001701707700002201724700002601746700001801772700002401790856012601814 2010 eng d a0360-319900aInfluence of zeolitic structure on photoreduction property and hydrogen evolution reaction0 aInfluence of zeolitic structure on photoreduction property and h aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcMAR a1911-19200 v353 a

A new photocatalytic material developed by supporting TiO(2) in combination with transition metal ion like cobalt and heteropolyacid (HPA) on the surface is facilitating enhanced photoreduction of water and methyl orange Zeolites being a solid acid play an important role in the electron transfer reaction, facilitated by the Lewis acid sites in the form of aluminium ions In the present work, four different zeolite matrices namely, NaY zeolite, ultrastable zeolite Y, beta zeolite and titanium silicate-1 have been used for the synthesis of new photocatalytic materials These materials have been evaluated for water splitting by an initial screening procedure using methyl orange photoreduction The photocatalyst containing Na Y has emerged as a potential photocatalyst with hydrogen evolution rate of 2730 mu mol/h/g of TiO(2) Hydrogen evolution was not observed for the composite photocatalysts synthesized using the other zeolite matrices It has been observed that physicochemical properties like Si/Al ratio, acidity and basicity of the zeolite support have a tremendous influence on the photoreduction property of these zeolite matrices (C) 2010 Professor T Nejat Veziroglu Published by Elsevier Ltd All rights reserved

10aH(2) evolution10aLewis acidity10aSi/Al ratio10awater splitting10aZeolite structure1 aChatti, Ravikrishna, V.1 aDubey, Nidhi1 aJoshi, Meenal, V.1 aLabhsetwar, Nitin, K.1 aJoshi, P., N.1 aRayalu, Sadhana, S. uhttps://library.ncl.res.in/content/influence-zeolitic-structure-photoreduction-property-and-hydrogen-evolution-reaction-001464nas a2200205 4500008004100000022001400041245007800055210006900133260005700202300001200259490000700271520073000278100001901008700002101027700001801048700002201066700002501088700003301113856011201146 2010 eng d a0947-839600aInverse magnetocaloric effect in sol-gel derived nanosized cobalt ferrite0 aInverse magnetocaloric effect in solgel derived nanosized cobalt a233 SPRING ST, NEW YORK, NY 10013 USAbSPRINGERcMAY a497-5030 v993 a

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

1 aGopalan, Veena1 aAl-Omari, I., A.1 aKumar, Sakthi1 aYoshida, Yasuhiko1 aJoy, Pattayil, Alias1 aAnantharaman, Maliemadom, R. uhttps://library.ncl.res.in/content/inverse-magnetocaloric-effect-sol-gel-derived-nanosized-cobalt-ferrite-001477nas a2200217 4500008004100000022001400041245008700055210006900142260007300211300001400284490000800298520073400306653001101040653000801051653001301059653000801072100001801080700002501098700001801123856011801141 2010 eng d a0169-433200aInvestigations of CdS and Ag-CdS nanoparticles by X-ray photoelectron spectroscopy0 aInvestigations of CdS and AgCdS nanoparticles by Xray photoelect aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcDEC a1390-13940 v2573 a

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

10aAg-CdS10aCdS10aCysteine10aXPS1 aThakur, Priya1 aJoshi, Satyawati, S.1 aPatil, K., R. uhttps://library.ncl.res.in/content/investigations-cds-and-ag-cds-nanoparticles-x-ray-photoelectron-spectroscopy-002169nas a2200229 4500008004100000022001400041245020700055210006900262260007100331300001400402490000700416520120600423100002401629700002101653700002401674700001701698700002401715700002101739700002501760700002601785856012801811 2010 eng d a0022-262300aIsolation, structure, and functional elucidation of a modified pentapeptide, cysteine protease inhibitor (CPI-2081) from streptomyces species 2081 that exhibit inhibitory effect on cancer cell migration0 aIsolation structure and functional elucidation of a modified pen a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcJUL a5121-51280 v533 a

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

1 aSingh, Jay, Prakash1 aTamang, Sudarsan1 aRajamohanan, P., R.1 aJima, N., C.1 aChakraborty, Goutam1 aKundu, Gopal, C.1 aGaikwad, Sushama, M.1 aKhan, Mohammad, Islam uhttps://library.ncl.res.in/content/isolation-structure-and-functional-elucidation-modified-pentapeptide-cysteine-protease-003023nas a2200337 4500008004100000022001400041245008600055210006900141260012500210300001100335490000800346520187100354653002202225653002502247653001802272653001802290653002002308653001802328653001702346653001202363653001802375653003102393100002002424700001402444700001902458700001702477700002502494700002702519700001902546856012002565 2010 eng d a0021-897900aMagnetic and dielectric properties and Raman spectroscopy of GdCrO3 nanoparticles0 aMagnetic and dielectric properties and Raman spectroscopy of GdC aCIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USAbAMER INST PHYSICScJAN a0139120 v1073 a

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

10adielectric losses10agadolinium compounds10aMagnetisation10aMultiferroics10ananofabrication10aNanoparticles10apermittivity10aphonons10aRaman spectra10asuperexchange interactions1 aJaiswal, Adhish1 aDas, Raja1 aVivekanand, K.1 aMaity, Tuhin1 aAbraham, Priya, Mary1 aAdyanthaya, Suguna, D.1 aPoddar, Pankaj uhttps://library.ncl.res.in/content/magnetic-and-dielectric-properties-and-raman-spectroscopy-gdcro3-nanoparticles-001863nas a2200229 4500008004100000022001400041245008100055210006900136260006900205300001200274490000800286520103800294653002401332653002601356653001501382653002401397100002701421700002501448700001901473700003301492856010801525 2010 eng d a0254-058400aOn the magnetic and dielectric properties of nickel-neoprene nanoconaposites0 amagnetic and dielectric properties of nickelneoprene nanoconapos aPO BOX 564, 1001 LAUSANNE, SWITZERLANDbELSEVIER SCIENCE SAcMAY a154-1600 v1213 a

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

10aComposite materials10adielectric properties10aElastomers10amagnetic properties1 aJamal, Muhammad, Abdul1 aJoy, Pattayil, Alias1 aKurian, Philip1 aAnantharaman, Maliemadom, R. uhttps://library.ncl.res.in/content/magnetic-and-dielectric-properties-nickel-neoprene-nanoconaposites-001870nas a2200229 4500008004100000022001400041245009100055210006900146260005700215300001200272490000700284520104000291653002501331653002001356653002401376653001901400100002701419700002501446700001901471700003301490856011701523 2010 eng d a0170-083900aOn the magnetic, mechanical and rheological properties of rubber-nickel nanocomposites0 amagnetic mechanical and rheological properties of rubbernickel n a233 SPRING ST, NEW YORK, NY 10013 USAbSPRINGERcMAY a907-9230 v643 a

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

10aCure characteristics10aElastic modulus10amagnetic properties10aNanocomposites1 aJamal, Muhammad, Abdul1 aJoy, Pattayil, Alias1 aKurian, Philip1 aAnantharaman, Maliemadom, R. uhttps://library.ncl.res.in/content/magnetic-mechanical-and-rheological-properties-rubber-nickel-nanocomposites-001740nas a2200265 4500008004100000020002200041022001400063245011200077210006900189260019400258300001200452490000900464520062700473653002401100653002601124653005201150100002501202700002801227700002201255700002701277700001501304700001201319700001101331856013201342 2010 eng d a978-0-7354-0854-8 a0094-243X00aMathematical modeling and simulation of bubble column reactor for aerial liquid phase cyclohexane oxidation0 aMathematical modeling and simulation of bubble column reactor fo a2 Huntington Quadrangle, STE 1no1, Melville, NY 11747-4501 USAbNatl Inst Technol Durgapur; SERC, Dept Sci & Technol; Caledonian Coll Engn; BRNS, Dept Atom Energy; DRDO, Minist DefencecOCT a151-1590 v12983 a

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

10aK-A Oil Selectivity10aMathematical modeling10asubstrate conversion and product yield analysis1 aUpkare, Makarand, M.1 aRajurkar, Kalpendra, B.1 aGupta, Pankaj, R.1 aJaganathan, Rengaswamy1 aParuya, S.1 aKar, S.1 aRoy, S uhttps://library.ncl.res.in/content/mathematical-modeling-and-simulation-bubble-column-reactor-aerial-liquid-phase-cyclohexane-001826nas a2200265 4500008004100000022001400041245014000055210006900195260007300264300001200337490000800349520081600357653001501173653002001188653003801208653003101246653001401277653001101291100002801302700002101330700002401351700002901375700002501404856013101429 2010 eng d a1387-181100aMicro-/meso-porous stannosilicate composites (Sn-MFI/MCM-41) via two-step crystallization process: process parameter-phase relationship0 aMicromesoporous stannosilicate composites SnMFIMCM41 via twostep aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcDEC a115-1250 v1363 a

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

10acomposites10aCrystallization10aMicro-/meso-porous stannosilicate10ap-Cresol hydroxyalkylation10aSn-MCM-4110aSn-MFI1 aNiphadkar, Prashant, S.1 aGarade, Ajit, C.1 aJha, Ratnesh, Kumar1 aRode, Chandrashekhar, V.1 aJoshi, Praphulla, N. uhttps://library.ncl.res.in/content/micro-meso-porous-stannosilicate-composites-sn-mfimcm-41-two-step-crystallization-process-001805nas a2200265 4500008004100000022001400041245010700055210006900162260007300231300001000304490000800314520089400322653002901216653000901245653001501254653001701269653000801286100001501294700001601309700001901325700002801344700002301372700002501395856011901420 2010 eng d a1381-116900aNO reduction under diesel exhaust conditions over Au/Al2O3 prepared by deposition-precipitation method0 aNO reduction under diesel exhaust conditions over AuAl2O3 prepar aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcMAY a90-970 v3223 a

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

10aDeposition-precipitation10aGold10aIn situ IR10aNO reduction10aXPS1 aMiguel, P.1 aGranger, P.1 aJagtap, Neelam1 aUmbarkar, Shubhangi, B.1 aDongare, Mohan, K.1 aDujardin, Christophe uhttps://library.ncl.res.in/content/no-reduction-under-diesel-exhaust-conditions-over-aual2o3-prepared-deposition-002419nas a2200157 4500008004100000022001400041245009400055210006900149260007100218300001200289490000800301520178800309100001802097700001902115856012702134 2010 eng d a1520-610600aNovel supramolecular organogel nanotubular template approach for conducting nanomaterials0 aNovel supramolecular organogel nanotubular template approach for a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcJAN a728-7360 v1143 a

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

1 aAnilkumar, P.1 aJayakannan, M. uhttps://library.ncl.res.in/content/novel-supramolecular-organogel-nanotubular-template-approach-conducting-nanomaterials-002208nas a2200205 4500008004100000022001400041245011100055210006900166260007100235300001400306490000800320520141000328100002601738700002301764700002401787700001801811700002901829700002001858856012401878 2010 eng d a1932-744700aObservation of photoconductivity in Sn-doped ZnO nanowires and their photoenhanced field emission behavior0 aObservation of photoconductivity in Sndoped ZnO nanowires and th a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcMAR a3843-38490 v1143 a

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

1 aSheini, Farid, Jamali1 aMore, Mahendra, A.1 aJadkar, Sandesh, R.1 aPatil, K., R.1 aPillai, Vijaymohanan, K.1 aJoag, Dilip, S. uhttps://library.ncl.res.in/content/observation-photoconductivity-sn-doped-zno-nanowires-and-their-photoenhanced-field-002571nas a2200181 4500008004100000022001400041245008600055210006900141260007100210300001600281490000800297520189100305100001402196700002002210700002702230700001902257856011302276 2010 eng d a1932-744700aOrigin of magnetic anomalies below the neel temperature in nanocrystalline LuMnO30 aOrigin of magnetic anomalies below the neel temperature in nanoc a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcJUL a12104-121090 v1143 a

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

1 aDas, Raja1 aJaiswal, Adhish1 aAdyanthaya, Suguna, D.1 aPoddar, Pankaj uhttps://library.ncl.res.in/content/origin-magnetic-anomalies-below-neel-temperature-nanocrystalline-lumno3-001623nas a2200205 4500008004100000022001400041245013900055210006900194260007600263300001400339520079900353653001501152653001401167653001301181653002201194653002101216100002701237700002701264856012601291 2010 eng d a1434-193X00aOrthogonally protected cyclohexanehexols by a ``one reaction - one product'' approach: efficient access to cyclitols and their analogs0 aOrthogonally protected cyclohexanehexols by a one reaction one p aCOMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USAbWILEY-BLACKWELLcMAY a2945-29533 a

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

10aAlkylation10acyclitols10aInositol10aProtecting groups10aRegioselectivity1 aJagdhane, Rajendra, C.1 aShashidhar, Mysore, S. uhttps://library.ncl.res.in/content/orthogonally-protected-cyclohexanehexols-one-reaction-one-product-approach-efficient-001646nas a2200241 4500008004100000022001400041245009700055210006900152260006900221300001000290490000800300520079800308653001201106653002301118653001501141653002201156100002001178700001901198700001801217700001901235700002201254856012801276 2010 eng d a0925-838800aPreparation and characterization of CuInSe2 thin films by chemical bath deposition technique0 aPreparation and characterization of CuInSe2 thin films by chemic aPO BOX 564, 1001 LAUSANNE, SWITZERLANDbELSEVIER SCIENCE SAcJUN a78-810 v5003 a

Copper indium diselenide (CIS) thin films have been deposited using a precursor solution containing copper sulphate, indium trichoride, hydrazine hydrate and sodium selenosulphate in an aqueous alkaline medium at room temperature. The as grown brown colored films were found to be well adherent to glass substrates. The films were characterized by X-ray diffraction, scanning electron microscopy, atomic absorption spectroscopy, optical absorption, electrical resistivity, and thermo electric measurement techniques. The analysis of optical absorption data shows band-gap energy (E-g) to be 1.1 eV. The electrical resistivity of the thin film was found to be of the order of 10(2) (Omega cm). Thermoelectric power measurement shows n-type conduction. (C) 2010 Published by Elsevier B.V.

10aCuInSe210aOptical properties10aThin films10aX-ray diffraction1 aHankare, P., P.1 aRathod, K., C.1 aChate, P., A.1 aJadhav, A., V.1 aMulla, Imtiaz, S. uhttps://library.ncl.res.in/content/preparation-and-characterization-cuinse2-thin-films-chemical-bath-deposition-technique-002131nas a2200229 4500008004100000022001400041245021700055210006900272260009900341300001400440490000800454520111600462653002701578653002501605653002601630100002101656700002501677700002401702700002001726700002401746856013101770 2010 eng d a0960-852400aProduction and characterization of a biodegradable poly (hydroxybutyrate-co-hydroxyvalerate) (PHB-co-PHV) copolymer by moderately haloalkalitolerant Halomonas campisalis MCM B-1027 isolated from Lonar Lake, India0 aProduction and characterization of a biodegradable poly hydroxyb aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLANDbELSEVIER SCI LTDcDEC a9765-97710 v1013 a

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

10aBiodegradable plastics10aHalomonas campisalis10aPolyhydroxyalkanoates1 aKulkarni, S., O.1 aKanekar, Pradnya, P.1 aNilegaonkar, S., S.1 aSarnaik, S., S.1 aJog, Jyoti, Prakash uhttps://library.ncl.res.in/content/production-and-characterization-biodegradable-poly-hydroxybutyrate-co-hydroxyvalerate-phb-001613nas a2200217 4500008004100000022001400041245007100055210006900126260005700195300001100252490000700263520084700270653003001117653002501147653002801172100001901200700001701219700002801236700002601264856010501290 2010 eng d a0046-899100aProtoplast formation and regeneration in lactobacillus delbrueckii0 aProtoplast formation and regeneration in lactobacillus delbrueck a233 SPRING ST, NEW YORK, NY 10013 USAbSPRINGERcMAR a97-1000 v503 a

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

10aLactobacillus delbrueckii10aProtoplast formation10aProtoplast regeneration1 aSinghvi, Mamta1 aJoshi, Dipti1 aGaikaiwari, Shalaka, A.1 aGokhale, Digambar, V. uhttps://library.ncl.res.in/content/protoplast-formation-and-regeneration-lactobacillus-delbrueckii-002190nas a2200277 4500008004100000022001400041245007700055210006900132260007300201300001200274490000800286520122600294653003401520653002401554653001801578653001401596653002901610653002001639653003201659653002301691100002301714700002401737700002401761700001901785856010801804 2010 eng d a0921-510700aRing opening polymerization of dilactide using salen complex as catalyst0 aRing opening polymerization of dilactide using salen complex as  aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcAPR a193-1980 v1683 a

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

10aGel permeation chromatography10aIron salen catalyst10aL-Lactic acid10aL-Lactide10aManganese salen catalyst10aPoly(L-lactide)10aring opening polymerization10aSolution viscosity1 aIdage, Bhaskar, B.1 aIdage, Susheela, B.1 aKasegaonkar, A., S.1 aJadhav, R., V. uhttps://library.ncl.res.in/content/ring-opening-polymerization-dilactide-using-salen-complex-catalyst-001723nas a2200205 4500008004100000022001400041245011500055210006900170260007100239300001400310490000700324520091700331100002801248700002501276700001701301700002101318700002301339700002501362856013001387 2010 eng d a1083-616000aSelective hydrogenolysis of glycerol to 1,2-propanediol: comparison of batch and continuous process operations0 aSelective hydrogenolysis of glycerol to 12propanediol comparison a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcNOV a1393-14000 v143 a

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

1 aRode, Chandrashekhar, V1 aGhalwadkar, Ajay, A.1 aMane, R., B.1 aHengne, Amol, M.1 aJadkar, Sachin, T.1 aBiradar, Narayan, S. uhttps://library.ncl.res.in/content/selective-hydrogenolysis-glycerol-12-propanediol-comparison-batch-and-continuous-process-002525nas a2200289 4500008004100000020002200041022001400063245005200077210005200129260021600181300001200397490000900409520151800418653000801936653001401944653001301958653001901971653001101990653002302001100002102024700002302045700002502068700002002093700002002113700001602133856008602149 2010 eng d a978-0-7354-0772-5 a0094-243X00aShear induced diffusion in dense granular flows0 aShear induced diffusion in dense granular flows a2 Huntington Quadrangle, STE 1NO1, Melville, NY 11747-4501 USAbIUTAM; ISIMM; Italian Inst Higher Math; US Natl Sci Fdn; Reg Council Reggio Calabria; Prov Reggio Calabria; Mediterranean Univ Reggio CalabriacJUN a221-2290 v12273 a

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

10aDEM10aDiffusion10agranular10aindex matching10aLAMMPS10alaser fluorescence1 aOrpe, Ashish, V.1 aRycroft, Chris, H.1 aKudrolli, Arshad, A.1 aGoddard, J., D.1 aJenkins, J., T.1 aGiovine, P. uhttps://library.ncl.res.in/content/shear-induced-diffusion-dense-granular-flows-002296nas a2200289 4500008004100000022001400041245011600055210006900171260006900240300001200309490000800321520129400329653001301623653002301636653001101659653001401670100001901684700001901703700002801722700001801750700002501768700001901793700002101812700002301833700001901856856013101875 2010 eng d a0254-058400aSimple chemical co-precipitation/calcination route for the synthesis of simulated synroc-B and synroc-C powders0 aSimple chemical coprecipitationcalcination route for the synthes aPO BOX 564, 1001 LAUSANNE, SWITZERLANDbELSEVIER SCIENCE SAcOCT a695-6990 v1233 a

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

10aCeramics10aChemical synthesis10aOxides10aSintering1 aPotdar, H., S.1 aVijayanand, S.1 aMohaideen, Kamal, Khaja1 aPatil, K., R.1 aJoy, Pattayil, Alias1 aMadhavan, Raja1 aKutty, K., V. G.1 aAmbashta, Ritu, D.1 aWattal, P., K. uhttps://library.ncl.res.in/content/simple-chemical-co-precipitationcalcination-route-synthesis-simulated-synroc-b-and-synroc-001275nas a2200229 4500008004100000022001400041245009800055210006900153260010600222300001400328490000700342520039700349653000600746653001900752653003000771653002300801653003200824100001800856700002600874700002800900856011700928 2010 eng d a0040-403900aStereocontrolled route to the synthesis of (+/-)-3-amino-2,2-dimethyl-1,3-diphenylpropan-1-ol0 aStereocontrolled route to the synthesis of 3amino22dimethyl13dip aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcNOV a5927-59290 v513 a

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

10a110a3-Aminoalcohol10aAldol-Tishchenko reaction10abeta-Hydroxy oxime10aDiastereoslective reduction1 aPatil, M., N.1 aBhowmick, Kartick, C.1 aJoshi, Navalkishore, N. uhttps://library.ncl.res.in/content/stereocontrolled-route-synthesis-3-amino-22-dimethyl-13-diphenylpropan-1-ol-001560nas a2200241 4500008004100000022001400041245007600055210006900131260007400200300001200274490000700286520071800293653002701011653002901038653002501067653001101092653002501103100001801128700002001146700002601166700002001192856010601212 2010 eng d a0141-549200aStrain improvement of lactobacillus lactis for d-lactic acid production0 aStrain improvement of lactobacillus lactis for dlactic acid prod aVAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDSbSPRINGERcAPR a517-5200 v323 a

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

10aCellobiose utilization10aD-Lactic acid production10aLactobacillus lactis10aMutant10aSucrose (cane sugar)1 aJoshi, D., S.1 aSinghvi, M., S.1 aKhire, Jayant, Malhar1 aGokhale, D., V. uhttps://library.ncl.res.in/content/strain-improvement-lactobacillus-lactis-d-lactic-acid-production-001559nas a2200241 4500008004100000022001400041245013200055210006900187260007300256300001200329490000700341520067600348653002001024653001401044653002201058653001301080653002501093100002101118700002301139700001401162700001701176856012401193 2010 eng d a1566-736700aStructure-activity studies of dodecatungstophosphoric acid impregnated bentonite clay catalyst in hydroxyalkylation of p-cresol0 aStructureactivity studies of dodecatungstophosphoric acid impreg aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcJUN a942-9450 v113 a

Bentonite clay impregnated with dodecatungstophosphoric acid (20% DTP/BNT) showed an excellent activity, selectivity and stability [95% product yield with 94% selectivity to 2, 2'-methylenebis (4-methylphenol), DAM] for the hydroxyalkylation of p-cresol with formaldehyde at 353 K and for a mole ratio of 5. Ammonia-TPD results showed that an increase in total concentration of acid sites from 4.9 of parent bentonite to 11.6 micromoles per surface area NH(3) (mu molS(-1) NH(3)) of 20% DTP/BNT was due to a strong interaction of protons of bulk DTP with surface hydroxyl groups of BNT as evidenced by (31)P NMR studies. (C) 2010 Elsevier B.V. All rights reserved.

10a(31)P CPMAS NMR10aBentonite10aHydroxyalkylation10ap-Cresol10asurface modification1 aGarade, Ajit, C.1 aKshirsagar, V., S.1 aJha, Ajay1 aRode, C., V. uhttps://library.ncl.res.in/content/structure-activity-studies-dodecatungstophosphoric-acid-impregnated-bentonite-clay-001406nas a2200253 4500008004100000022001400041245010000055210006900155260010600224300001400330490000700344520045900351653002500810653001900835653001100854653002200865653002200887100002200909700002700931700002000958700002500978700002901003856012001032 2010 eng d a0025-540800aSurface texture and specific adsorption sites of sol-gel synthesized anatase TiO2 nanoparticles0 aSurface texture and specific adsorption sites of solgel synthesi aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcOCT a1470-14750 v453 a

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

10aCatalytic properties10aNanostructures10aOxides10aSol-gel chemistry10aX-ray diffraction1 aZaki, Mohamed, I.1 aMekhemer, Gamal, A. H.1 aFouad, Nasr, E.1 aJagadale, Tushar, C.1 aOgale, Satishchandra, B. uhttps://library.ncl.res.in/content/surface-texture-and-specific-adsorption-sites-sol-gel-synthesized-anatase-tio2-001635nas a2200253 4500008004100000022001400041245009400055210006900149260006900218300001200287490000800299520075400307653001901061653001901080653001501099653002201114100002001136700001901156700002101175700001801196700002201214700002001236856012501256 2010 eng d a0925-838800aSynthesis and characterization of nickel selenide thin films deposited by chemical method0 aSynthesis and characterization of nickel selenide thin films dep aPO BOX 564, 1001 LAUSANNE, SWITZERLANDbELSEVIER SCIENCE SAcFEB a228-2310 v4903 a

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

10aCrystal growth10aSemiconductors10aThin films10aX-ray diffraction1 aHankare, P., P.1 aJadhav, B., V.1 aGaradkar, K., M.1 aChate, P., A.1 aMulla, Imtiaz, S.1 aDelekar, S., D. uhttps://library.ncl.res.in/content/synthesis-and-characterization-nickel-selenide-thin-films-deposited-chemical-method-001487nas a2200181 4500008004100000022001400041245019200055210006900247260010600316300001200422490000700434520063500441100002501076700002501101700002601126700002301152856013001175 2010 eng d a0957-416600aSynthesis of azepane and nojirimycin iminosugars: the sharpless asymmetric epoxidation of D-glucose-derived allyl alcohol and highly regioselective epoxide ring opening using sodium azide0 aSynthesis of azepane and nojirimycin iminosugars the sharpless a aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcFEB a163-1700 v213 a

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

1 aJadhav, Vrushali, H.1 aBande, Omprakash, P.1 aPuranik, Vedavati, G.1 aDhavale, Dilip, D. uhttps://library.ncl.res.in/content/synthesis-azepane-and-nojirimycin-iminosugars-sharpless-asymmetric-epoxidation-d-glucose-002114nas a2200277 4500008004100000022001400041245013400055210006900189260005700258300001400315490000600329520109600335653002101431653002601452653002401478653001501502653002301517100002701540700002201567700001901589700002001608700002201628700002501650700003301675856012801708 2010 eng d a1931-757300aSynthesis of bio-compatible SPION-based aqueous ferrofluids and evaluation of radiofrequency power loss for magnetic hyperthermia0 aSynthesis of biocompatible SPIONbased aqueous ferrofluids and ev a233 SPRING ST, NEW YORK, NY 10013 USAbSPRINGERcOCT a1706-17110 v53 a

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

10aMagnetic heating10aMagnetic hyperthermia10aMagnetic relaxation10aPower loss10aSuperparamagnetism1 aMary, Antony, P. Reena1 aNarayanan, T., N.1 aSunny, Vijutha1 aSakthikumar, D.1 aYoshida, Yasuhiko1 aJoy, Pattayil, Alias1 aAnantharaman, Maliemadom, R. uhttps://library.ncl.res.in/content/synthesis-bio-compatible-spion-based-aqueous-ferrofluids-and-evaluation-radiofrequency-001433nas a2200229 4500008004100000022001400041245006200055210006000117260010700177300001400284490000700298520061600305653002800921653002300949653002500972653001600997100002501013700002501038700002601063700002301089856009101112 2010 eng d a0040-402000aSynthesis of eight-membered iminocyclitols from D-glucose0 aSynthesis of eightmembered iminocyclitols from Dglucose aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcAPR0 a2830-28340 v663 a

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

10aBaylis-Hillman reaction10aConjugate addition10adiastereoselectivity10aIminosugars1 aJadhav, Vrushali, H.1 aBande, Omprakash, P.1 aPuranik, Vedavati, G.1 aDhavale, Dilip, D. uhttps://library.ncl.res.in/content/synthesis-eight-membered-iminocyclitols-d-glucose-001400nas a2200241 4500008004100000022001400041245014000055210006900195260010600264300001400370490000700384520047100391653000600862653001900868653003000887653001600917653001800933653001500951100001800966700002400984700002801008856012201036 2010 eng d a0040-402000aSynthesis, resolution, and applications of 3-amino-2,2-dimethy1-1,3-diphenylpropan-1-ol, a conformationally restricted 1,3-aminoalcohol0 aSynthesis resolution and applications of 3amino22dimethy113diphe aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcJUL a5036-50410 v663 a

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

10a110a3-Aminoalcohol10aAldol-Tishchenko reaction10aDiethylzinc10aOxazaborinane10aResolution1 aPatil, M., N.1 aGonnade, Rajesh, G.1 aJoshi, Navalkishore, N. uhttps://library.ncl.res.in/content/synthesis-resolution-and-applications-3-amino-22-dimethy1-13-diphenylpropan-1-ol-002541nas a2200205 4500008004100000022001400041245014000055210006900195260007100264300001600335490000800351520173100359100002002090700001402110700001702124700001902141700002702160700001902187856012902206 2010 eng d a1932-744700aTemperature-dependent raman and dielectric spectroscopy of BiFeO3 nanoparticles: signatures of spin-phonon and magnetoelectric coupling0 aTemperaturedependent raman and dielectric spectroscopy of BiFeO3 a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcJUL a12432-124390 v1143 a

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

1 aJaiswal, Adhish1 aDas, Raja1 aMaity, Tuhin1 aVivekanand, K.1 aAdyanthaya, Suguna, D.1 aPoddar, Pankaj uhttps://library.ncl.res.in/content/temperature-dependent-raman-and-dielectric-spectroscopy-bifeo3-nanoparticles-signatures-002649nas a2200301 4500008004100000022001400041245008800055210006900143260005700212300001200269490000600281520155900287653002501846653003301871653004201904653003801946653004001984100001902024700001902043700002202062700002202084700002502106700002102131700001802152700002202170700003302192856012202225 2010 eng d a1556-276X00aTemplate-assisted synthesis and characterization of passivated nickel nanoparticles0 aTemplateassisted synthesis and characterization of passivated ni a233 SPRING ST, NEW YORK, NY 10013 USAbSPRINGERcMAY a889-8970 v53 a

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

10aNickel nanoparticles10aPolymer-metal nanocomposites10aStrongly acidic cation exchange resin10aStuctural and magnetic properties10aWeakly acidic cation exchange resin1 aGopalan, Veena1 aMalini, K., A.1 aSanthoshkumar, G.1 aNarayanan, T., N.1 aJoy, Pattayil, Alias1 aAl-Omari, I., A.1 aKumar, Sakthi1 aYoshida, Yasuhiko1 aAnantharaman, Maliemadom, R. uhttps://library.ncl.res.in/content/template-assisted-synthesis-and-characterization-passivated-nickel-nanoparticles-002218nas a2200217 4500008004100000022001400041245009900055210006900154260009900223300001400322490000700336520137600343653003201719653000801751653002201759653002201781100002101803700002601824700002001850856013001870 2010 eng d a0016-236100aThermodynamic study of combining chemical looping combustion and combined reforming of propane0 aThermodynamic study of combining chemical looping combustion and aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLANDbELSEVIER SCI LTDcOCT a3141-31460 v893 a

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

10aChemical looping combustion10aCLC10aCO(2) utilization10aEnergy generation1 aKale, Ganesh, R.1 aKulkarni, Bhaskar, D.1 aJoshi, Ajit, R. uhttps://library.ncl.res.in/content/thermodynamic-study-combining-chemical-looping-combustion-and-combined-reforming-propane-002591nas a2200229 4500008004100000022001400041245007700055210006900132260007100201300001400272490000700286520177200293100001702065700002502082700001802107700002202125700002402147700003202171700002502203700002702228856010602255 2010 eng d a0024-929700aVolume transition of PNIPAM in a nonionic surfactant hexagonal mesophase0 aVolume transition of PNIPAM in a nonionic surfactant hexagonal m a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcMAY a4782-47900 v433 a

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

1 aJijo, V., J.1 aSharma, Kamendra, P.1 aMathew, Renny1 aKamble, Samruddhi1 aRajamohanan, P., R.1 aAjithkumar, Thalasseril, G.1 aBadiger, Manohar, V.1 aKumaraswamy, Guruswamy uhttps://library.ncl.res.in/content/volume-transition-pnipam-nonionic-surfactant-hexagonal-mesophase-002225nas a2200241 4500008004100000022001400041245009500055210006900150260010000219300001200319490000700331520133700338653001501675653001901690653002601709653002401735100002701759700001801786700002501804700001701829700001901846856011801865 2011 eng d a0254-870400aActive pharmaceutical ingredient (api) from an estuarine fungus, microdochium nivale (Fr.)0 aActive pharmaceutical ingredient api from an estuarine fungus mi aC/O KIRAN DALELA, 1/206 VIKAS NAGAR, KURSI RD, LUCKNOW 226 022, INDIAbTRIVENI ENTERPRISEScSEP a653-6580 v323 a

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

10aantifungal10aCyclosporine A10aEstuarine environment10aMicrodochium nivale1 aBhosale, Siddharth, H.1 aPatil, K., B.1 aParameswaran, P., S.1 aNaik, C., G.1 aJagtap, T., G. uhttps://library.ncl.res.in/content/active-pharmaceutical-ingredient-api-estuarine-fungus-microdochium-nivale-fr-001104nas a2200193 4500008004100000022001400041245011100055210006900166260011000235300001400345490000700359520032500366100001700691700002100708700001600729700001900745700002000764856012600784 2011 eng d a1359-734500aAmino functionalized zeolitic tetrazolate framework (ZTF) with high capacity for storage of carbon dioxide0 aAmino functionalized zeolitic tetrazolate framework ZTF with hig aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcJAN a2011-20130 v473 a

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

1 aPanda, Tamas1 aPachfule, Pradip1 aChen, Yifei1 aJiang, Jianwen1 aBanerjee, Rahul uhttps://library.ncl.res.in/content/amino-functionalized-zeolitic-tetrazolate-framework-ztf-high-capacity-storage-carbon-002008nas a2200253 4500008004100000022001400041245014100055210006900196260007400265300001200339490000800351520105100359653002701410653001501437653002201452653000901474653000901483653003301492653002701525100002101552700002101573700003301594856012701627 2011 eng d a0378-269700aAssociation between chemical and genetic variation in calophyllum inophyllum, a medicinally important tree of the Western Ghats of India0 aAssociation between chemical and genetic variation in calophyllu aSACHSENPLATZ 4-6, PO BOX 89, A-1201 WIEN, AUSTRIAbSPRINGER WIENcAPR a257-2650 v2923 a

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

10aCalophyllum inophyllum10aDendrogram10adipyranocoumarins10aHPLC10aISSR10aPrincipal component analysis10aWestern Ghats of India1 aPawar, Kiran, D.1 aJoshi, Swati, P.1 aThengane, Shubhada, Ratnakar uhttps://library.ncl.res.in/content/association-between-chemical-and-genetic-variation-calophyllum-inophyllum-medicinally-000855nas a2200217 4500008004100000022001400041245008100055210006900136260010600205300001400311490000700325520005700332653000600389653001500395653002500410653002200435653001500457100002500472700002800497856011200525 2011 eng d a0040-403900aBidentate ligand-catalyzed enantioselective addition of RZnX to benzaldehyde0 aBidentate ligandcatalyzed enantioselective addition of RZnX to b aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcNOV a6501-65030 v523 a

{Enantioselective addition of RZnX (R = alkyl

10a110a2-Addition10aAsymmetric synthesis10aChelating ligands10aOrganozinc1 aJagtap, Ravindra, S.1 aJoshi, Navalkishore, N. uhttps://library.ncl.res.in/content/bidentate-ligand-catalyzed-enantioselective-addition-rznx-benzaldehyde-002396nas a2200277 4500008004100000022001400041245014800055210006900203260007600272300001200348490000700360520135100367653002501718653000801743653002001751653001901771653002201790100002701812700002501839700002201864700001901886700003601905700002701941700002201968856012801990 2011 eng d a0008-403400aCFD simulation of stirred tanks: comparison of turbulence models (Part II: axial flow impellers, multiple impellers and multiphase dispersions)0 aCFD simulation of stirred tanks comparison of turbulence models  aCOMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USAbWILEY-BLACKWELLcAUG a754-8160 v893 a

In the first part of the review, published literature regarding the CFD modelling of single-phase turbulent flow in stirred tank reactors with radial flow impellers was critically analysed. A brief overview of different turbulence models (standard k-epsilon model, RNG k-epsilon model, the Reynolds stress model and large eddy simulation) as well as impeller baffle interaction models has been presented in the previous part. This part is concerned with the review of literature regarding CFD simulation of axial flow impellers. Comprehensive simulations have been carried out using various turbulence models and the model predictions (of all the mean velocities, turbulent kinetic energy and its dissipation rate) have been compared with the experimental measurements at various locations in the tank. The strengths and weaknesses of various turbulence models for axial flow impellers is presented. The quantitative comparison of exact and modelled turbulence production, transport and dissipation terms has highlighted the reasons behind the partial success of various modifications of standard k-e model as well as Reynolds stress model. Literature efforts on multiple impeller systems and multiphase systems have been discussed in a separate section. Based on these results, suggestions have been made for the future work in this area.

10aaxial flow impellers10aCFD10aimpeller models10astirred vessel10aturbulence models1 aJoshi, Jyeshtharaj, B.1 aNere, Nandkishor, K.1 aRane, Chinmay, V.1 aMurthy, B., N.1 aMathpati, Channamallikarjun, S.1 aPatwardhan, Ashwin, W.1 aRanade, Vivek, V. uhttps://library.ncl.res.in/content/cfd-simulation-stirred-tanks-comparison-turbulence-models-part-ii-axial-flow-impellers-002724nas a2200301 4500008004100000022001400041245010000055210006900155260006700224300001000291490000700301520169800308653000802006653002002014653002102034653000802055653002602063653000802089653001902097100002702116700002502143700002202168700001902190700003602209700002702245700002202272856012802294 2011 eng d a0008-403400aCFD simulation of stirred tanks: comparison of turbulence models. part I: radial flow impellers0 aCFD simulation of stirred tanks comparison of turbulence models  a111 RIVER ST, HOBOKEN 07030-5774, NJ USAbWILEY-BLACKWELLcFEB a23-820 v893 a

A critical review of the published literature regarding the computational fluid dynamics (CFD) modelling of single-phase turbulent flow in stirred tank reactors is presented. In this part of review, CFD simulations of radial flow impellers (mainly disc turbine (DT)) in a fully baffled vessel operating in a turbulent regime have been presented. Simulated results obtained with different impeller modelling approaches (impeller boundary condition, multiple reference frame, computational snap shot and the sliding mesh approaches) and different turbulence models (standard k-epsilon model, RNG k-epsilon model, the Reynolds stress model (RSM) and large eddy simulation) have been compared with the in-house laser Doppler anemometry (LDA) experimental data. In addition, recently proposed modifications to the standard k-epsilon models were also evaluated. The model predictions (of all the mean velocities, turbulent kinetic energy and its dissipation rate) have been compared with the experimental measurements at various locations in the tank. A discussion is presented to highlight strengths and weaknesses of currently used CFD models. A preliminary analysis of sensitivity of modelling assumptions in the k-epsilon models and RSM has been carried out using LES database. The quantitative comparison of exact and modelled turbulence production, transport and dissipation terms has highlighted the reasons behind the partial success of various modifications of standard k-epsilon model as well as RSM. The volume integral of predicted energy dissipation rate is compared with the energy input rate. Based on these results, suggestions have been made for the future work in this area.

10aCFD10aimpeller models10ak-epsilon models10aLES10aradial flow impellers10aRSM10astirred vessel1 aJoshi, Jyeshtharaj, B.1 aNere, Nandkishor, K.1 aRane, Chinmay, V.1 aMurthy, B., N.1 aMathpati, Channamallikarjun, S.1 aPatwardhan, Ashwin, W.1 aRanade, Vivek, V. uhttps://library.ncl.res.in/content/cfd-simulation-stirred-tanks-comparison-turbulence-models-part-i-radial-flow-impellers-002210nas a2200277 4500008004100000022001400041245018400055210006900239260009900308300001400407490000800421520106400429653002601493653002501519653003901544653003201583653001401615100002501629700002501654700002401679700002401703700002701727700002301754700002701777856012801804 2011 eng d a0960-852400aCharacterisation of copolymer, poly (hydroxybutyrate-co-hydroxyvalerate) (PHB-co-PHV) produced by halomonas campisalis (MCM B-1027), its biodegradability and potential application0 aCharacterisation of copolymer poly hydroxybutyratecohydroxyvaler aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLANDbELSEVIER SCI LTDcJUN a6625-66280 v1023 a

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

10aBiodegradable polymer10aCopolymer PHB-co-PHV10aDielectric relaxation spectroscopy10aDynamic mechanical analysis10aHalomonas1 aKulkarni, Snehal, O.1 aKanekar, Pradnya, P.1 aJog, Jyoti, Prakash1 aPatil, Prashant, A.1 aNilegaonkar, Smita, S.1 aSarnaik, Seema, S.1 aKshirsagar, Pranav, R. uhttps://library.ncl.res.in/content/characterisation-copolymer-poly-hydroxybutyrate-co-hydroxyvalerate-phb-co-phv-produced-001572nas a2200229 4500008004100000022001400041245012400055210006900179260007300248300001200321490000800333520073000341653001801071653002701089653002601116653001101142653000801153100002201161700001801183700001801201856012301219 2011 eng d a1387-181100aCharacterization of surface acid sites in tin-silicalite-1 (Sn-MFI) molecular sieve by X-ray photoelectron spectroscopy0 aCharacterization of surface acid sites in tinsilicalite1 SnMFI m aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcMAY a236-2400 v1413 a

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

10aLewis acidity10aPyridine chemisorption10aSiO2/SnO2 molar ratio10aSn-MFI10aXPS1 aNiphadkar, P., S.1 aPatil, K., R.1 aJoshi, P., N. uhttps://library.ncl.res.in/content/characterization-surface-acid-sites-tin-silicalite-1-sn-mfi-molecular-sieve-x-ray-003400nas a2200469 4500008004100000245021600041210006900257260000800326300002500334490000700359520181800366100002202184700001902206700002802225700002702253700001802280700002402298700002002322700001802342700001902360700002502379700001802404700001802422700001702440700001402457700001702471700002402488700002202512700002202534700003002556700002002586700002202606700002302628700002502651700001502676700001902691700002202710700002002732700003002752700002402782856012402806 2011 eng d00aComparative genomics of the pathogenic ciliate Ichthyophthirius multifiliis, its free-living relatives and a host species provide insights into adoption of a parasitic lifestyle and prospects for disease control0 aComparative genomics of the pathogenic ciliate Ichthyophthirius  cOCT aArticle Number: R1000 v123 aBackground: Ichthyophthirius multifiliis, commonly known as Ich, is a highly pathogenic ciliate responsible for 'white spot', a disease causing significant economic losses to the global aquaculture industry. Options for disease control are extremely limited, and Ich's obligate parasitic lifestyle makes experimental studies challenging. Unlike most well-studied protozoan parasites, Ich belongs to a phylum composed primarily of free-living members. Indeed, it is closely related to the model organism Tetrahymena thermophila. Genomic studies represent a promising strategy to reduce the impact of this disease and to understand the evolutionary transition to parasitism. Results: We report the sequencing, assembly and annotation of the Ich macronuclear genome. Compared with its free-living relative T. thermophila, the Ich genome is reduced approximately two-fold in length and gene density and three-fold in gene content. We analyzed in detail several gene classes with diverse functions in behavior, cellular function and host immunogenicity, including protein kinases, membrane transporters, proteases, surface antigens and cytoskeletal components and regulators. We also mapped by orthology Ich's metabolic pathways in comparison with other ciliates and a potential host organism, the zebrafish Danio rerio. Conclusions: Knowledge of the complete protein-coding and metabolic potential of Ich opens avenues for rational testing of therapeutic drugs that target functions essential to this parasite but not to its fish hosts. Also, a catalog of surface protein-encoding genes will facilitate development of more effective vaccines. The potential to use T. thermophila as a surrogate model offers promise toward controlling 'white spot' disease and understanding the adaptation to a parasitic lifestyle.1 aCoyne, Robert, S.1 aHannick, Linda1 aShanmugam, Dhanasekaran1 aHostetler, Jessica, B.1 aBrami, Daniel1 aJoardar, Vinita, S.1 aJohnson, Justin1 aRadune, Diana1 aSingh, Irtisha1 aBadger, Jonathan, H.1 aKumar, Ujjwal1 aSaier, Milton1 aWang, Yufeng1 aCai, Hong1 aGu, Jianying1 aMather, Michael, W.1 aVaidya, Akhil, B.1 aWilkes, David, E.1 aRajagopalan, Vidyalakshmi1 aAsai, David, J.1 aPearson, Chad, G.1 aFindly, Robert, C.1 aDickerson, Harry, W.1 aWu, Martin1 aMartens, Cindy1 aVan de Peer, Yves1 aRoos, David, S.1 aCassidy-Hanley, Donna, M.1 aClark, Theodore, G. uhttps://library.ncl.res.in/content/comparative-genomics-pathogenic-ciliate-ichthyophthirius-multifiliis-its-free-living01530nas a2200205 4500008004100000022001400041245013800055210006900193260007100262300001400333490000700347520069300354100002801047700002501075700002401100700002301124700002101147700002901168856012701197 2011 eng d a0888-588500aControl of competing hydrogenation of phenylhydroxylamine to aniline in a single-step hydrogenation of nitrobenzene to p-aminophenol 0 aControl of competing hydrogenation of phenylhydroxylamine to ani a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcMAY a5478-54840 v503 a

Two steps involving catalytic hydrogenation of nitrobenzene to phenylhydroxylamine (PHA) in acid medium and its rearrangement to p-aminophenol (PAP) were studied separately in a batch reactor, using a well-characterized 3% Pt/C catalyst. The first step of hydrogenation of nitrobenzene to PHA could be carried out at 303 K and a H(2) pressure of 0.69 MPa with complete conversion of nitrobenzene, while the achieved selectivity to PHA was higher than 90% with some formation of aniline, even at lower temperature. The second step of PHA rearrangement to PAP could be achieved under a hydrogen atmosphere at elevated temperature of 353 K to give a maximum selectivity to PAP of 74%.

1 aNadgeri, Jayprakash, M.1 aBiradar, Narayan, S.1 aPatil, Priyanka, B.1 aJadkar, Sachin, T.1 aGarade, Ajit, C.1 aRode, Chandrashekhar, V. uhttps://library.ncl.res.in/content/control-competing-hydrogenation-phenylhydroxylamine-aniline-single-step-hydrogenation-002190nas a2200277 4500008004100000022001400041245009100055210006900146260009200215300001200307490000600319520125600325653001601581653001801597653001201615653001301627653001701640100001801657700001801675700001901693700002401712700001801736700002001754700001801774856012001792 2011 eng d a1936-661200aControlling stoichiometry in low temperature synthesis of La0.7Sr0.3MnO3 nanoparticles0 aControlling stoichiometry in low temperature synthesis of La07Sr a26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USAbAMER SCIENTIFIC PUBLISHERScFEB a424-4300 v43 a

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

10aCitric acid10aComplex Oxide10aDextran10aHexamine10ahydrothermal1 aAzarifar, Ali1 aYadav, P., A.1 aChawla, A., K.1 aJog, Jyoti, Prakash1 aPatil, S., I.1 aChandra, Ramesh1 aOgale, S., B. uhttps://library.ncl.res.in/content/controlling-stoichiometry-low-temperature-synthesis-la07sr03mno3-nanoparticles-001831nas a2200181 4500008004100000245010100041210006900142260000800211300001600219490000600235520117900241100002401420700002101444700001901465700001901484700002101503856012501524 2011 eng d00aCorrection to what drives the redox properties of model green fluorescence protein chromophores?0 aCorrection to what drives the redox properties of model green fl cOCT a2695–26950 v23 a

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

1 aSolntsev, Kyril, M.1 aGhosh, Debashree1 aAmador, Adrian1 aJosowicz, Mira1 aKrylov, Anna, I. uhttps://library.ncl.res.in/content/correction-what-drives-redox-properties-model-green-fluorescence-protein-chromophores02540nas a2200265 4500008004100000022001400041245014200055210006900197260008000266300001400346490000700360520155100367653002701918653001801945653002801963100001801991700001702009700001902026700001902045700002302064700002402087700001702111700001702128856012902145 2011 eng d a0944-134400aDegradation of tannic acid by cold-adapted klebsiella sp NACASA1 and phytotoxicity assessment of tannic acid and its degradation products0 aDegradation of tannic acid by coldadapted klebsiella sp NACASA1  aTIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANYbSPRINGER HEIDELBERGcAUG a1129-11380 v183 a

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

10aCold-adapted bacterium10aPhytotoxicity10aTannic acid degradation1 aJadhav, Umesh1 aKadu, Sudhir1 aThokal, Nilesh1 aPadul, Manohar1 aDawkar, Vishal, V.1 aChougale, Ashok, D.1 aSalve, Abhay1 aPatil, Manoj uhttps://library.ncl.res.in/content/degradation-tannic-acid-cold-adapted-klebsiella-sp-nacasa1-and-phytotoxicity-assessment-002485nas a2200229 4500008004100000022001400041245014500055210006900200260008500269300001200354490000700366520159100373653002101964653001801985653001102003653001902014653001302033100003402046700002402080700002002104856013102124 2011 eng d a0032-389600aDevelopment of non-woven nanofibers of egg albumen-poly (vinyl alcohol) blends: influence of solution properties on morphology of nanofibers0 aDevelopment of nonwoven nanofibers of egg albumenpoly vinyl alco a75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USAbNATURE PUBLISHING GROUPcJUL a654-6610 v433 a

Egg albumen (EA), a highly functional globular protein with desirable properties, is the least-explored material for biomaterial applications, although it is available in abundance. In our studies, we explored the viability of EA and various blends with biocompatible and non-toxic poly (vinyl alcohol) (PVA) to produce nanofibers for biomedical applications. EA and PVA blends were prepared in various compositions. Electrospinning was used to fabricate non-woven nanofibers. Solution properties, such as viscosity and electrical conductivity, were evaluated for various prepared solutions. Solution viscosity increased with increasing polymer concentration. Solutions with higher contents of EA recorded increased conductivity, which decreased with increasing PVA content. The influence of solution properties on the morphological appearance of as-spun products was studied using scanning electron microscopy. Instead of nanofibers, nanoparticles and microparticles of EA were produced at even higher contents. In contrast, a gradual increase in the addition of PVA content to 8% EA solution resulted in the transformation of particles from large agglomerates to very fine fibers (approximate to 100nm in diameter) because of the influence of polymer content, viscosity and conductivity. The polymer-polymer interactions in the prepared materials have been validated by Fourier transform infrared spectroscopy, differential scanning calorimetry, X-ray diffraction and gel electrophoresis. Polymer Journal (2011) 43, 654-661; doi:10.1038/pj.2011.34; published online 18 May 2011

10aBiocompatibility10abiodegradable10ablends10ananotechnology10aProteins1 aRathna, Gundloori, Venkata Na1 aJog, Jyoti, Prakash1 aGaikwad, A., B. uhttps://library.ncl.res.in/content/development-non-woven-nanofibers-egg-albumen-poly-vinyl-alcohol-blends-influence-solution-001989nas a2200181 4500008004100000022001400041245006800055210006800123260012500191300001100316490000800327520130000335100002001635700001401655700001701669700001901686856010201705 2011 eng d a0021-897900aDielectric and spin relaxation behaviour in DyFeO3 nanocrystals0 aDielectric and spin relaxation behaviour in DyFeO3 nanocrystals aCIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USAbAMER INST PHYSICScDEC a1243010 v1103 a

We report the temperature and frequency dependent dielectric measurements and ac magnetic susceptibility of chemically synthesized DyFeO3 nanoparticles (size similar to 50-60 nm). The measurement of the dielectric properties was carried out in a broad temperature (20-325 K) and frequency (1-10(6) Hz) range. The non-Debye type dipolar relaxation phenomenon was observed in the DyFeO3 nanoparticles, as confirmed by the Cole-Cole plots. The higher values of epsilon' at the lower frequencies are explained on the basis of the Maxwell-Wagner model. The Cole-Cole analysis enabled us to separate the contribution of relaxation times, resistance and capacitance in grain and grain boundaries in DyFeO3 nanocrystals. We found that with increasing temperature, the contribution of grain boundary resistance increases in comparison to the grain resistance. We also performed spin relaxation studies in a broad temperature and frequency range. Both the in-phase (chi') and out-of-phase (chi `') components of the ac magnetic susceptibilities of the DyFeO3 nanoparticles show a clear evidence at spin reorientation transition around 70K and T-N (Dy) around 4K as reported by us in our earlier study using the dc magnetic behaviour. (C) 2011 American Institute of Physics. [doi: 10.1063/1.3669154]

1 aJaiswal, Adhish1 aDas, Raja1 aMaity, Tuhin1 aPoddar, Pankaj uhttps://library.ncl.res.in/content/dielectric-and-spin-relaxation-behaviour-dyfeo3-nanocrystals-002073nas a2200265 4500008004100000022001400041245011900055210006900174260009900243300001600342490000800358520106000366653002201426653002301448653002501471653002301496653002201519100002601541700002201567700003001589700001901619700002301638700002001661856012601681 2011 eng d a0960-852400aDifferential induction, purification and characterization of cold active lipase from Yarrowia lipolytica NCIM 36390 aDifferential induction purification and characterization of cold aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLANDbELSEVIER SCI LTDcNOV a10663-106700 v1023 a

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

10aCell bound lipase10aCold active lipase10aExtracellular lipase10aLavandulyl acetate10aOligomeric lipase1 aYadav, K., N. Sathish1 aAdsul, Mukund, G.1 aBastawade, Kulbhushan, B.1 aJadhav, D., D.1 aThulasiram, H., V.1 aGokhale, D., V. uhttps://library.ncl.res.in/content/differential-induction-purification-and-characterization-cold-active-lipase-yarrowia-001845nas a2200217 4500008004100000022001400041245010700055210006900162260007600231300001200307490000600319520104600325653002001371653001101391653001101402653001701413100002601430700001901456700002101475856013101496 2011 eng d a1860-676800aDifferentiation-inducing ability of sophorolipids of oleic and linoleic acids using a glioma cell line0 aDifferentiationinducing ability of sophorolipids of oleic and li aCOMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USAbWILEY-BLACKWELLcMAY a509-5120 v63 a

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

10aDifferentiation10aGlioma10aLN-22910aSophorolipid1 aJoshi-Navare, Kasturi1 aShiras, Anjali1 aPrabhune, Asmita uhttps://library.ncl.res.in/content/differentiation-inducing-ability-sophorolipids-oleic-and-linoleic-acids-using-glioma-cell-001912nas a2200217 4500008004100000022001400041245012300055210006900178260013200247300001200379490000600391520102900397653002001426653002601446653002401472653001401496653001801510100001501528700002501543856012601568 2011 eng d a1475-743500aEffect of inter-particle interactions on the magnetic properties of magnetite nanoparticles after coating with dextran0 aEffect of interparticle interactions on the magnetic properties  aWORLD TRADE CENTER BLDG, 29 ROUTE DE PRE-BOIS, CASE POSTALE 896, CH-1215 GENEVA, SWITZERLANDbINDERSCIENCE ENTERPRISES LTDcJAN a907-9150 v83 a

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

10adextran coating10amagnetic interactions10amagnetic properties10amagnetite10aNanoparticles1 aSreeja, V.1 aJoy, Pattayil, Alias uhttps://library.ncl.res.in/content/effect-inter-particle-interactions-magnetic-properties-magnetite-nanoparticles-after-001846nas a2200181 4500008004100000022001400041245008000055210006900135260012500204300001100329490000800340520112800348100001401476700002001490700002701510700001901537856010801556 2011 eng d a0021-897900aEffect of particle size and annealing on spin and phonon behavior in TbMnO30 aEffect of particle size and annealing on spin and phonon behavio aCIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USAbAMER INST PHYSICScMAR a0643090 v1093 a

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

1 aDas, Raja1 aJaiswal, Adhish1 aAdyanthaya, Suguna, D.1 aPoddar, Pankaj uhttps://library.ncl.res.in/content/effect-particle-size-and-annealing-spin-and-phonon-behavior-tbmno3-001874nas a2200217 4500008004100000022001400041245011200055210006900167260011000236300001400346490000700360520102000367100001601387700002201403700002201425700001701447700002201464700001401486700002501500856013101525 2011 eng d a0306-001200aEmploying homoenolates generated by NHC catalysis in carbon-carbon bond-forming reactions: state of the art0 aEmploying homoenolates generated by NHC catalysis in carboncarbo aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcJUL a5336-53460 v403 a

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

1 aNair, Vijay1 aMenon, Rajeev, S.1 aBiju, Akkattu, T.1 aSinu, C., R.1 aPaul, Rony, Rajan1 aJose, Anu1 aSreekumar, Vellalath uhttps://library.ncl.res.in/content/employing-homoenolates-generated-nhc-catalysis-carbon-carbon-bond-forming-reactions-state-002060nas a2200229 4500008004100000022001400041245015900055210006900214260007300283300001400356490000800370520113800378653002801516653002601544653002601570653002801596653001501624100002001639700002001659700002401679856012701703 2011 eng d a0169-433200aEnhanced dielectric permittivity in poly (vinylidene) fluoride/multiwalled carbon nanotubes nanocomposite thin films fabricated by pulsed laser deposition0 aEnhanced dielectric permittivity in poly vinylidene fluoridemult aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcNOV a1256-12600 v2583 a

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

10aDielectric permittivity10aFerroelectric polymer10aPercolation threshold10apulsed laser deposition10aThin films1 aChanmal, Chetan1 aDeo, Meenal, S.1 aJog, Jyoti, Prakash uhttps://library.ncl.res.in/content/enhanced-dielectric-permittivity-poly-vinylidene-fluoridemultiwalled-carbon-nanotubes-002789nas a2200253 4500008004100000022001400041245010600055210006900161260009900230300001200329490000700341520187600348653001702224653001902241653001902260653001602279653002302295100001802318700001802336700001602354700001702370700002202387856012602409 2011 eng d a0972-062600aEnvironmental potential applications of alkali metal exchanged zeolite x in carbon dioxide adsorption0 aEnvironmental potential applications of alkali metal exchanged z aSECTOR A/80 SCHEME NO 54, VIJAY NAGAR, A B ROAD, INDORE MP, 452 010, INDIAbDR JYOTI GARGcJUN a661-6710 v153 a

The increasing atmospheric CO2 concentration, mainly caused by the Thermal Power Stations, Industrial sector and fossil fuel combustion, has led to consequences of global warming. Zeolitic adsorption processes is more promising, energy saving and viable method for CO2 removal in Comparison to other technologies. In order to examine the behavior and to establish the trends in carbon dioxide sorption, NaX zeolite (Si/Al = 1.15) and it's the modified forms with identical degree (55.5 +/- 2.5) of exchange by K+, Rb+ and Cs+ cations have been selected., The samples were characterized by powder XRD, Low temperature nitrogen adsorption/desorption measurements, chemical analysis and also for the intermediate electronegativity and the partial charges on the atoms using Sanderson's electronegativity equalization principle. The isotherms of carbon dioxide using these NaX, NaKX, NaRbX and NaCsX samples were measured at an interval of 30 K in the temperature range of 273 to 363 K up to 600 Torr. The uptake of CO2 was found to depend on both, the size of the nonframework cation and the temperature at which the isotherms were measured. The cations with lower charge density will have lower extent of electrostatic interaction with the sorbate molecules. Since CO2 has more linear quadrupole moment, it interacts mainly with the extra-framework cations and framework oxygen. The carbon dioxide sorption data satisfactorily represented by Langmuir and also analyzed for the chemical affinity. The Isosteric heat (q(st)) of NaX for the coverage of 20 molecules per unit cell is nearly equal to 26 kJ, mol(-1). The NaX and NaKX comparatively show a flat heat profile with the increasing amount sorbed than those of NaRbX and NaCsX indicating a balance between the strength of energetic heterogeneity of sorbate-sorbent interactions and sorbate-sorbate interactions.

10aCO2 sorption10aIonic exchange10aIsosteric heat10aNaX zeolite10aTheoretical models1 aJoshi, U., D.1 aJoshi, P., N.1 aRoh, H., S.1 aYoon, W., L.1 aShiralkar, V., P. uhttps://library.ncl.res.in/content/environmental-potential-applications-alkali-metal-exchanged-zeolite-x-carbon-dioxide-001410nas a2200181 4500008004100000022001400041245015200055210006900207260011000276300001600386490000700402520061200409100002101021700001601042700001901058700002001077856013101097 2011 eng d a0959-942800aExperimental and computational approach of understanding the gas adsorption in amino functionalized interpenetrated metal organic frameworks (MOFs)0 aExperimental and computational approach of understanding the gas aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcOCT a17737-177450 v213 a

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

1 aPachfule, Pradip1 aChen, Yifei1 aJiang, Jianwen1 aBanerjee, Rahul uhttps://library.ncl.res.in/content/experimental-and-computational-approach-understanding-gas-adsorption-amino-functionalized-002285nas a2200253 4500008004100000022001400041245013800055210006900193260007300262300001000335490000800345520134600353653001101699653001701710653001801727653002001745653002301765653002001788100002901808700002701837700002601864700002101890856012001911 2011 eng d a0022-286000aFacile synthesis of N-benzylated 3-alkyl-2,6-diarylpiperidin-4-ones: Stereochemical investigation by 1D/2D NMR and single-crystal XRD0 aFacile synthesis of Nbenzylated 3alkyl26diarylpiperidin4ones Ste aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcMAR a44-560 v9903 a

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

10a2D NMR10aConformation10aN-benzylation10aPiperidin-4-one10asingle-crystal XRD10aStereochemistry1 aDindulkar, Someshwar, D.1 aParthiban, Paramasivam1 aPuranik, Vedavati, G.1 aJeong, Yeon, Tae uhttps://library.ncl.res.in/content/facile-synthesis-n-benzylated-3-alkyl-26-diarylpiperidin-4-ones-stereochemical-001748nas a2200241 4500008004100000022001400041245010600055210006900161260012500230300002300355490000700378520081900385100002201204700002501226700001401251700001401265700001901279700001501298700002901313700001901342700001801361856012701379 2011 eng d a0003-695100aFerroelectric and electrical characterization of multiferroic BiFeO3 at the single nanoparticle level0 aFerroelectric and electrical characterization of multiferroic Bi aCIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USAbAMER INST PHYSICScDEC aArticle No. 2529050 v993 a

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

1 aVasudevan, R., K.1 aBogle, Kashinath, A.1 aKumar, A.1 aJesse, S.1 aMagaraggia, R.1 aStamps, R.1 aOgale, Satishchandra, B.1 aPotdar, H., S.1 aNagarajan, V. uhttps://library.ncl.res.in/content/ferroelectric-and-electrical-characterization-multiferroic-bifeo3-single-nanoparticle-001879nas a2200253 4500008004100000022001400041245010200055210006900157260007300226300001400299490000800313520098400321653001601305653001901321653001801340653001401358100002101372700002401393700002101417700001901438700002001457700002201477856012601499 2011 eng d a0169-433200aField emission studies of silver nanoparticles synthesized by electron cyclotron resonance plasma0 aField emission studies of silver nanoparticles synthesized by el aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcJUN a7184-71890 v2573 a

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

10aCold plasma10afield emission10aNanoparticles10athin film1 aPurohit, Vishwas1 aMazumder, Baishakhi1 aBhise, Ashok, B.1 aPoddar, Pankaj1 aJoag, Dilip, S.1 aBhoraskar, S., V. uhttps://library.ncl.res.in/content/field-emission-studies-silver-nanoparticles-synthesized-electron-cyclotron-resonance-001257nas a2200229 4500008004100000022001400041245005400055210005300109260010600162300001400268490000700282520050600289653001600795653001700811653001300828653001300841653002000854653001600874100002700890700002700917856008300944 2011 eng d a0040-402000aFormal synthesis of valiolamine from myo-inositol0 aFormal synthesis of valiolamine from myoinositol aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcOCT a7963-79700 v673 a

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

10aAmino sugar10aCarbohydrate10aCyclitol10aInositol10aNatural product10aValiolamine1 aJagdhane, Rajendra, C.1 aShashidhar, Mysore, S. uhttps://library.ncl.res.in/content/formal-synthesis-valiolamine-myo-inositol-001730nas a2200193 4500008004100000022001400041245004700055210004700102260007100149300001400220490000700234520111100241100002301352700001401375700002001389700002101409700002601430856008001456 2011 eng d a0888-588500aFractal impeller for stirred tank reactors0 aFractal impeller for stirred tank reactors a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcJUN a7667-76760 v503 a

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

1 aKulkarni, Amol, A.1 aJha, Neha1 aSingh, Abhishek1 aBhatnagar, Sumit1 aKulkarni, Bhaskar, D. uhttps://library.ncl.res.in/content/fractal-impeller-stirred-tank-reactors-000966nas a2200157 4500008004100000022001400041245008100055210006900136260010600205300001400311490000700325520031000332100002500642700002800667856011300695 2011 eng d a0957-416600aImproved synthesis and resolution of cis- and trans-2,3-diphenyl morpholines0 aImproved synthesis and resolution of cis and trans23diphenyl mor aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcNOV a1861-18640 v223 a

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

1 aJagtap, Ravindra, S.1 aJoshi, Navalkishore, N. uhttps://library.ncl.res.in/content/improved-synthesis-and-resolution-cis-and-trans-23-diphenyl-morpholines-002289nas a2200241 4500008004100000022001400041245013400055210006900189260007300258300001200331490000800343520139200351653001401743653001201757653002801769653001301797653002001810100002201830700001801852700002701870700002201897856012801919 2011 eng d a0926-860X00aInfluence of Al3+ insertion in the stannosilicate MFI framework on the catalytic performance in vapor phase aniline N-methylation0 aInfluence of Al3 insertion in the stannosilicate MFI framework o aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcJUL a182-1880 v4013 a

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

10aAl-Sn-MFI10aAniline10aBronsted and Lewis acid10aMethanol10aN-methylaniline1 aNiphadkar, P., S.1 aJoshi, P., N.1 aDeshpande, Suvarna, S.1 aBokade, Vijay, V. uhttps://library.ncl.res.in/content/influence-al3-insertion-stannosilicate-mfi-framework-catalytic-performance-vapor-phase-001781nas a2200289 4500008004100000022001400041245012200055210006900177260007100246300001400317490000600331520076000337653002101097653001301118653003001131653001401161653001501175653001101190100002401201700002501225700002001250700002901270700001801299700002101317700002901338856012401367 2011 eng d a1944-824400aIsobutrin from butea monosperma (flame of the forest): a promising new natural sensitizer belonging to chalcone class0 aIsobutrin from butea monosperma flame of the forest a promising  a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcJUL a2440-24440 v33 a

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

10aButea monosperma10achalcone10adye-sensitized solar cell10aisobutrin10asensitizer10aTiO(2)1 aAgarkar, Shruti, A.1 aKulkarni, Roshan, R.1 aDhas, Vivek, V.1 aChinchansure, Ashish, A.1 aHazra, Partha1 aJoshi, Swati, P.1 aOgale, Satishchandra, B. uhttps://library.ncl.res.in/content/isobutrin-butea-monosperma-flame-forest-promising-new-natural-sensitizer-belonging-002138nas a2200265 4500008004100000022001400041245012100055210006900176260010600245300001400351490000700365520112700372653002301499653003801522653001301560653002901573653002501602653001501627100002201642700002501664700001501689700002401704700001801728856012601746 2011 eng d a0009-250900aKinetics of hydroformylation of 1-octene in ionic liquid-organic biphasic media using rhodium sulfoxantphos catalyst0 aKinetics of hydroformylation of 1octene in ionic liquidorganic b aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcAPR a1631-16390 v663 a

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

10aBiphasic catalysis10aButylpyridinium tetrafluoroborate10akinetics10aParameter identification10aReaction engineering10asolubility1 aDeshpande, R., M.1 aKelkar, Ashutosh, A.1 aSharma, A.1 aJulcour-Lebigue, C.1 aDelmas, Henri uhttps://library.ncl.res.in/content/kinetics-hydroformylation-1-octene-ionic-liquid-organic-biphasic-media-using-rhodium-001844nas a2200277 4500008004100000022001400041245008500055210006900140260007300209300001200282490000700294520085200301653001601153653002901169653001501198653003301213653002401246653003701270100002101307700002501328700001801353700002301371700002401394700002901418856011901447 2011 eng d a0169-131700aLiquid phase oxidation of p-vanillyl alcohol over synthetic Co-saponite catalyst0 aLiquid phase oxidation of pvanillyl alcohol over synthetic Cosap aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcAUG a157-1630 v533 a

Effect of cobalt loading on porosity of synthetic Co-saponite catalysts and on the air oxidation of p-vanillyl alcohol was studied by varying Co content in the range of 5% to 30% using in situ precipitation method. The pore size increased from 1.29 to 3.69 nm indicating a transition from micro to meso porosity, with increase in Co loading from 5% to 30%. The distribution ratio of Co(3)O(4)/CoO phases as estimated from TPR studies, also increased from 0.84 to 1.67 with increase in Co loading from 5% to 13% and remained almost constant (1.7) with further increase in Co loading up to 30%. The highest activity (conversion 55%) and selectivity of 99% to p-vanillin obtained for 13% Co-saponite in p-vanillyl alcohol oxidation was due to the highest distribution ratios of Co(3)O(4)/CoO phases. (C) 2010 Elsevier B.V. All rights reserved.

10aCo-saponite10aCobalt oxide phase ratio10ap-Vanillin10ap-Vanillyl alcohol oxidation10aPorosity transition10aTemperature programmed reduction1 aGarade, Ajit, C.1 aBiradar, Narayan, S.1 aJoshi, S., M.1 aKshirsagar, V., S.1 aJha, Ratnesh, Kumar1 aRode, Chandrashekhar, V. uhttps://library.ncl.res.in/content/liquid-phase-oxidation-p-vanillyl-alcohol-over-synthetic-co-saponite-catalyst-001991nas a2200229 4500008004100000022001400041245011500055210006900170260010600239300001200345490000700357520109500364653002501459653001201484653001901496653002301515653001801538100002801556700002201584700002501606856013001631 2011 eng d a0025-540800aLow temperature pH dependent synthesis of flower-like ZnO nanostructures with enhanced photocatalytic activity0 aLow temperature pH dependent synthesis of flowerlike ZnO nanostr aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcMAY a771-7780 v463 a

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

10aCatalytic properties10aDefects10aNanostructures10aOptical properties10aSemiconductor1 aVaishampayan, Mukta, V.1 aMulla, Imtiaz, S.1 aJoshi, Satyawati, S. uhttps://library.ncl.res.in/content/low-temperature-ph-dependent-synthesis-flower-zno-nanostructures-enhanced-photocatalytic-001732nas a2200241 4500008004100000022001400041245010800055210006900163260007300232300001400305490000800319520084300327653002801170653002301198653001501221653001501236100002701251700002201278700002401300700001701324700002201341856012701363 2011 eng d a0169-433200aLow thermal emissive surface properties of ZnO/polyimide composites prepared by pulsed laser deposition0 aLow thermal emissive surface properties of ZnOpolyimide composit aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcJAN a1824-18280 v2573 a

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

10apulsed laser deposition10aThermal emissivity10aThin films10aZinc oxide1 aBabrekar, Harshada, A.1 aJejurikar, S., M.1 aJog, Jyoti, Prakash1 aAdhi, K., P.1 aBhoraskar, S., V. uhttps://library.ncl.res.in/content/low-thermal-emissive-surface-properties-znopolyimide-composites-prepared-pulsed-laser-002069nas a2200229 4500008004100000022001400041245009800055210006900153260011100222300001400333490000700347520120200354100002201556700001901578700001801597700001701615700001801632700001801650700002301668700002901691856011901720 2011 eng d a1477-922600aMaghemite (hematite) core (shell) nanorods via thermolysis of a molecular solid of Fe-complex0 aMaghemite hematite core shell nanorods via thermolysis of a mole aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYc2011 a8003-80110 v403 a

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

1 aChaudhari, N., S.1 aWarule, S., S.1 aMuduli, Subas1 aKale, B., B.1 aJouen, Samuel1 aLefez, Benoit1 aHannoyer, Beatrice1 aOgale, Satishchandra, B. uhttps://library.ncl.res.in/content/maghemite-hematite-core-shell-nanorods-thermolysis-molecular-solid-fe-complex-002511nas a2200265 4500008004100000022001400041245010000055210006900155260007600224300001400300490000800314520159500322653001401917653002201931653001901953653001701972653001901989100002002008700001802028700001902046700001702065700002502082700001702107856012102124 2011 eng d a0021-899500aMagnetic and electric responsive hydrogel-magnetic nanocomposites for drug-delivery application0 aMagnetic and electric responsive hydrogelmagnetic nanocomposites aCOMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USAbWILEY-BLACKWELLcOCT a1364-13750 v1223 a

Magnetic and electrically responsive hydrogel networks were developed for drug-delivery applications. The hydrogel matrices were synthesized by the polymerization of acrylamide monomer in the presence of carboxymethylcellulose (CMC) or methylcellulose (MC) with N,N-methylenebisacrylamide, a crosslinker with the redox initiating system ammonium persulfate/tetramethylethylenediamine. The magnetic nanoparticles were generated throughout these hydrogel matrices by an in situ method by the incorporation of iron ions and their subsequent reduction with ammonia. A series of hydrogel-magnetic nanocomposites (HGMNCs) were developed with various CMC and MC compositions. The synthesized HGMNCs were characterized with spectral (Fourier transform infrared and ultraviolet-visible spectroscopy), X-ray diffraction, thermal, and microscopy methods. These HGMNCs contained iron oxide (Fe3O4) nanoparticles with an average particle size of about 22 nm, as observed by transmission electron microscopy. The dielectrical properties of the pure hydrogel (HG); the hydrogel loaded with iron ions, or the hydrogel iron-ion composite (HGIC); and the HGMNCs were measured. These results suggest that HGMNCs exhibited higher dielectric constants compared to HG and HGICs. The curcumin loading and release characteristics were also measured for HG, HGIC, and HGMNC systems. These data revealed that there was a sustained release of curcumin from HGMNCs because of the presence of magnetic nanoparticles in the hydrogel networks. (C) 2011 Wiley Periodicals, Inc. J Appl Polym Sci 122: 1364-1375, 2011

10ahydrogels10amagnetic polymers10aNanocomposites10ananoparticle10ananotechnology1 aReddy, Narayana1 aMohan, Murali1 aVaraprasad, K.1 aRavindra, S.1 aJoy, Pattayil, Alias1 aRaju, Mohana uhttps://library.ncl.res.in/content/magnetic-and-electric-responsive-hydrogel-magnetic-nanocomposites-drug-delivery-002218nas a2200253 4500008004100000022001400041245010100055210006900156260008100225300002300306490000700329520130100336100001501637700001601652700001801668700002101686700001901707700002401726700001801750700002301768700001901791700002901810856012501839 2011 eng d a0957-448400aMagnetite/CdTe magnetic-fluorescent composite nanosystem for magnetic separation and bio-imaging0 aMagnetiteCdTe magneticfluorescent composite nanosystem for magne aTEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLANDbIOP PUBLISHING LTDcJUN aArticle No. 2251010 v223 a

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

1 aKale, Anup1 aKale, Sonia1 aYadav, Prasad1 aGholap, Haribhau1 aPasricha, Renu1 aJog, Jyoti, Prakash1 aLefez, Benoit1 aHannoyer, Beatrice1 aShastry, Padma1 aOgale, Satishchandra, B. uhttps://library.ncl.res.in/content/magnetitecdte-magnetic-fluorescent-composite-nanosystem-magnetic-separation-and-bio-002165nas a2200265 4500008004100000022001400041245006900055210006900124260008000193300000900273490000700282520128000289653002001569653001701589653003401606653002301640653001701663100002101680700001601701700001801717700002201735700001801757700002401775856010001799 2011 eng d a1234-198300aMapping of QTLs governing agronomic and yield traits in chickpea0 aMapping of QTLs governing agronomic and yield traits in chickpea aTIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANYbSPRINGER HEIDELBERGcFEB a9-210 v523 a

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

10aCicer arietinum10aQTL analysis10aQTL x environment interaction10aTwo-locus analysis10aYield traits1 aGowda, S., J. M.1 aRadhika, P.1 aMhase, L., B.1 aJamadagni, B., M.1 aGupta, V., S.1 aKadoo, Narendra, Y. uhttps://library.ncl.res.in/content/mapping-qtls-governing-agronomic-and-yield-traits-chickpea-001932nas a2200265 4500008004100000022001400041245006800055210006700123260010200190300001400292490000800306520102600314653001601340653002501356653002601381653001901407100002001426700002101446700002301467700002301490700001801513700002201531700001801553856009501571 2011 eng d a0011-389100aMoney handling and obesity: a test of the exaptation hypothesis0 aMoney handling and obesity a test of the exaptation hypothesis aC V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIAbINDIAN ACAD SCIENCEScJUN a1695-17000 v1003 a

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

10aBody weight10aeconomics of obesity10aexaptation hypothesis10amoney handling1 aKarve, Shraddha1 aShurpali, Ketaki1 aDahanukar, Neelesh1 aParanjape, Sharayu1 aJog, Maithili1 aBelsare, Prajakta1 aWatve, Milind uhttps://library.ncl.res.in/content/money-handling-and-obesity-test-exaptation-hypothesis-002164nas a2200253 4500008004100000022001400041245005900055210005900114260006900173300001200242490000800254520136200262653001001624653001501634653002701649653003001676653000801706100002801714700002501742700002101767700001901788700001801807856008501825 2011 eng d a0925-400500aNanostructured spinet ZnCo2O4 for the detection of LPG0 aNanostructured spinet ZnCo2O4 for the detection of LPG aPO BOX 564, 1001 LAUSANNE, SWITZERLANDbELSEVIER SCIENCE SAcFEB a121-1290 v1523 a

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

10aHRTEM10aLPG sensor10aNanostructured ZnCo2O410aSemiconductor gas sensors10aXPS1 aVijayanand, Subramanian1 aJoy, Pattayil, Alias1 aPotdar, Hari, S.1 aPatil, Dewyani1 aPatil, Pradip uhttps://library.ncl.res.in/content/nanostructured-spinet-znco2o4-detection-lpg-001530nas a2200313 4500008004100000245012000041210006900161260000800230300001200238490000700250520051300257100002300770700002100793700001900814700002000833700002500853700001500878700001700893700001700910700001800927700002300945700002100968700001700989700002001006700002101026700001701047700002401064856012801088 2011 eng d00aNovel pyrazole-3-carboxamide derivatives as cannabinoid-1 (CB1) antagonists: journey from non-polar to polar amides0 aNovel pyrazole3carboxamide derivatives as cannabinoid1 CB1 antag cJAN a562-5680 v213 aThe synthesis and biological evaluation of novel pyrazole-3-carboxamide derivatives as CB1 antagonists are described. As a part of eastern amide SAR, various chemically diverse motifs were introduced. In general, a range of modifications were well tolerated. Several molecules with high polar surface area were also indentified as potent CB1 receptor antagonists. The in vivo proof of principle for weight loss is exemplified with a lead compound from this series. (C) 2010 Elsevier Ltd. All rights reserved.1 aSasmal, Pradip, K.1 aReddy, Srinivasa1 aTalwar, Rashmi1 aVenkatesham, B.1 aBalasubrahmanyam, D.1 aKannan, M.1 aSrinivas, P.1 aKumar, Shiva1 aDevi, Neelima1 aJadhav, Vikram, P.1 aKhan, Sanjoy, K.1 aMohan, Priya1 aChaudhury, Hira1 aBhuniya, Debnath1 aIqbal, Javed1 aChakrabarti, Ranjan uhttps://library.ncl.res.in/content/novel-pyrazole-3-carboxamide-derivatives-cannabinoid-1-cb1-antagonists-journey-non-polar01866nas a2200229 4500008004100000022001400041245011100055210006900166260007300235300001400308490000700322520103200329653000901361653001001370653002301380653001801403100002201421700002101443700002001464700002101484856013101505 2011 eng d a0167-577X00aNovel route for rapid biosynthesis of lead nanoparticles using aqueous extract of Jatropha curcas L. latex0 aNovel route for rapid biosynthesis of lead nanoparticles using a aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcOCT a3170-31720 v653 a

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

10aFTIR10aLatex10aLead nanoparticles10aNanoparticles1 aJoglekar, Shriram1 aKodam, Kisan, M.1 aDhaygude, Mayur1 aHudlikar, Manish uhttps://library.ncl.res.in/content/novel-route-rapid-biosynthesis-lead-nanoparticles-using-aqueous-extract-jatropha-curcas-l-002054nas a2200169 4500008004100000022001400041245012200055210006900177260007100246300001600317490000700333520134600340100002801686700002201714700002501736856012301761 2011 eng d a0743-746300aOptical and photocatalytic properties of single crystalline ZnO at the air-liquid interface by an aminolytic reaction0 aOptical and photocatalytic properties of single crystalline ZnO  a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcOCT a12751-127590 v273 a

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

1 aVaishampayan, Mukta, V.1 aMulla, Imtiaz, S.1 aJoshi, Satyawati, S. uhttps://library.ncl.res.in/content/optical-and-photocatalytic-properties-single-crystalline-zno-air-liquid-interface-002196nas a2200265 4500008004100000022001400041245009500055210006900150260007300219300001000292490000800302520124600310653001001556653002301566653001801589653000901607653003701616100002501653700002101678700002101699700002601720700002901746700002901775856012601804 2011 eng d a1381-116900aOxidative carbonylation of amine using water-soluble palladium catalysts in biphasic media0 aOxidative carbonylation of amine using watersoluble palladium ca aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcJAN a20-280 v3343 a

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

10aAmine10aBiphasic catalysis10aCarbonylation10aUrea10aWater-soluble palladium catalyst1 aDidgikar, Mahesh, R.1 aJoshi, Sunil, S.1 aGupte, Sunil, P.1 aDiwakar, Makarand, M.1 aDeshpande, Raj, Madhukar1 aChaudhari, Raghunath, V. uhttps://library.ncl.res.in/content/oxidative-carbonylation-amine-using-water-soluble-palladium-catalysts-biphasic-media-001778nas a2200229 4500008004100000022001400041245008200055210006900137260007400206300001200280490000700292520097400299100002001273700001901293700001801312700001901330700001901349700002401368700002101392700002201413856011301435 2011 eng d a0957-452200aPhotoelectrochemical applications of In2Se3 thin films by chemical deposition0 aPhotoelectrochemical applications of In2Se3 thin films by chemic aVAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDSbSPRINGERcAPR a359-3640 v223 a

Indium selenide films have been synthesized by chemical bath deposition method onto stainless steel plate. The configuration of fabricated cell is n-In2Se3| NaOH(1 M) + S(1 M) + Na2S(1 M) |C-(graphite). Characterization of the photoelectrochemical cell was carried out by studying X-ray diffraction, current-voltage and capacitance-voltage characteristics in the dark, barrier height measurements, power output, photoresponse and spectral response. The study shows that the In2Se3 thin films are n-type semiconductor. The junction ideality factor was found to be 3.24. The flat band potential and the barrier height were found to be 0.720 V and 0.196 eV, respectively. From the study of power output characteristics, open circuit voltage, short circuit current, fill factor and efficiency were found to be 310 mV, 20 mu A, 37.64 and 0.61%, respectively. Photoresponse studies show that the lighted ideality factor is 2.78. Maximum current was observed at 575 nm.

1 aHankare, P., P.1 aRathod, K., C.1 aAsabe, M., R.1 aJadhav, A., V.1 aHelavi, V., B.1 aChavan, Santosh, S.1 aGaradkar, K., M.1 aMulla, Imtiaz, S. uhttps://library.ncl.res.in/content/photoelectrochemical-applications-in2se3-thin-films-chemical-deposition-001056nas a2200205 4500008004100000022001400041245005300055210005300108260007600161300001000237490000700247520036000254100002300614700002500637700002300662700002500685700002600710700002700736856008700763 2011 eng d a0018-019X00aPhytochemical investigation of artemisia pallens0 aPhytochemical investigation of artemisia pallens aCOMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USAbWILEY-BLACKWELLcJAN a73-770 v943 a

Two new eudesmanolides, pallensin (1) and 4-epipallensin (2), along with a known eudesmanolide, santonin, and a known flavone, 4-epivalgarin, have been isolated from the aerial part of A. pallens. Their structures were established by detailed spectral studies (1D and 2D) and by comparison of their spectroscopic data with those of known compounds.

1 aRuikar, Anjali, D.1 aJadhav, Ravindra, B.1 aPhalgune, Usha, D.1 aRojatkar, Supada, R.1 aPuranik, Vedavati, G.1 aDeshpande, Nirmala, R. uhttps://library.ncl.res.in/content/phytochemical-investigation-artemisia-pallens-002192nas a2200253 4500008004100000022001400041245014400055210006900199260014500268300001200413490000700425520113300432653002501565653001801590653002301608653003201631653002801663100002401691700002001715700002301735700002401758700002601782856013001808 2011 eng d a1226-837200aPurification and characterization of bacterial aryl alcohol oxidase from sphingobacterium sp ATM and Its uses in textile dye decolorization0 aPurification and characterization of bacterial aryl alcohol oxid aKOREAN SCIENCE TECHNOLOGY CENTER, \#704 YEOGSAM-DONG, KANGNAM-KU, SEOUL 135-703, SOUTH KOREAbKOREAN SOC BIOTECHNOLOGY & BIOENGINEERINGcAUG a661-6680 v163 a

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

10aaryl alcohol oxidase10aDirect Red 5B10adye decolorization10aion exchange chromatography10aSphingobacterium sp ATM1 aTamboli, Dhawal, P.1 aTelke, Amar, A.1 aDawkar, Vishal, V.1 aJadhav, Shekhar, B.1 aGovindwar, Sanjay, P. uhttps://library.ncl.res.in/content/purification-and-characterization-bacterial-aryl-alcohol-oxidase-sphingobacterium-sp-atm-001968nas a2200277 4500008004100000022001400041245011000055210006900165260012400234300001200358490000700370520090200377653003101279653002201310653001501332653000901347653003501356100002301391700002301414700002501437700002501462700002501487700002601512700002701538856012501565 2011 eng d a0004-417200aSesquiterpene lactone, a potent drug molecule from artemisia pallens wall with anti-inflammatory activity0 aSesquiterpene lactone a potent drug molecule from artemisia pall aBANDELSTOCKWEG 20, POSTFACH 1255, D-88322 AULENDORF, GERMANYbECV-EDITIO CANTOR VERLAG MEDIZIN NATURWISSENSCHAFTENcDEC a510-5140 v613 a

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

10aAnti-inflammatory activity10aArtemisia pollens10aAsteraceae10aMice10aSingle crystal x-ray structure1 aRuikar, Anjali, D.1 aMisar, Ashwini, V.1 aJadhav, Ravindra, B.1 aRojatkar, Supada, R.1 aMujumdar, Arvind, M.1 aPuranik, Vedavati, G.1 aDeshpande, Nirmala, R. uhttps://library.ncl.res.in/content/sesquiterpene-lactone-potent-drug-molecule-artemisia-pallens-wall-anti-inflammatory-001552nas a2200229 4500008004100000022001400041245007600055210006900131260007600200300001400276490000700290520075500297653000801052653002101060653002101081653002801102653000801130100003001138700002301168700002201191856010901213 2011 eng d a0008-403400aSolid suspension in stirred tanks: UVP measurements and CFD simulations0 aSolid suspension in stirred tanks UVP measurements and CFD simul aCOMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USAbWILEY-BLACKWELLcOCT a1112-11210 v893 a

Suspension of solids in stirred reactor is widely used for catalytic reactions, dissolution, etc. Quality of solid suspension is an important parameter required for the reliable design, optimum performance, and scale up of the system. Quality of suspension depends on local characteristics of solid velocity and hold up profiles. The present work was focused on investigating quality of solid suspension using ultrasound velocity profiler (UVP) measurements and CFD simulations. The slip velocity measurements carried out with UVP were used to evaluate different drag correlations used in CFD simulations. Results discussed in this work would be useful for extending the applications of CFD models for simulating large stirred slurry reactors.

10aCFD10adrag coefficient10asolid suspension10asolid-liquid velocities10aUVP1 aSardeshpande, Madhavi, V.1 aJuvekar, Vinay, A.1 aRanade, Vivek, V. uhttps://library.ncl.res.in/content/solid-suspension-stirred-tanks-uvp-measurements-and-cfd-simulations-001373nas a2200229 4500008004100000022001400041245002700055210002700082260007100109300001200180490000700192520071400199653001700913653001700930653001800947653001500965653001700980653002600997100002601023700003001049856006401079 2011 eng d a1040-841X00aStreptomyces nucleases0 aStreptomyces nucleases a52 VANDERBILT AVE, NEW YORK, NY 10017 USAbINFORMA HEALTHCAREcAUG a227-2360 v373 a

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

10aApplications10aEndonuclease10aextracellular10aproduction10aPurification10aSubstrate specificity1 aJoshi, Amruta, Pramod1 aDeshmukh, Sumedha, Sharad uhttps://library.ncl.res.in/content/streptomyces-nucleases-001630nas a2200241 4500008004100000022001400041245010900055210006900164260010600233300001400339490000800353520069400361653002401055653002801079653000901107653003401116100002001150700002001170700002001190700002401210700002901234856012501263 2011 eng d a0038-109800aStrong electric field modulation of transport in PVDF/MWCNT nanocomposite near the percolation threshold0 aStrong electric field modulation of transport in PVDFMWCNT nanoc aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcNOV a1612-16150 v1513 a

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

10aField effect device10apulsed laser deposition10aPVDF10aScanning tunneling microscopy1 aChanmal, Chetan1 aDeo, Meenal, S.1 aRana, Abhimanyu1 aJog, Jyoti, Prakash1 aOgale, Satishchandra, B. uhttps://library.ncl.res.in/content/strong-electric-field-modulation-transport-pvdfmwcnt-nanocomposite-near-percolation-001555nas a2200229 4500008004100000022001400041245007200055210006700127260011000194300001400304490000600318520071600324100002001040700002101060700002001081700002401101700002401125700002001149700002401169700002901193856010301222 2011 eng d a2040-336400aStrong photo-response in a flip-chip nanowire p-Cu2O/n-ZnO junction0 aStrong photoresponse in a flipchip nanowire pCu2OnZnO junction aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcOCT a4706-47120 v33 a

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

1 aDeo, Meenal, S.1 aMujawar, Sarfraj1 aGame, Onkar, S.1 aYengantiwar, Ashish1 aBanpurkar, Arun, G.1 aKulkarni, Sneha1 aJog, Jyoti, Prakash1 aOgale, Satishchandra, B. uhttps://library.ncl.res.in/content/strong-photo-response-flip-chip-nanowire-p-cu2on-zno-junction-002047nas a2200253 4500008004100000022001400041245012300055210006900178260007100247300001400318490000700332520110900339653001901448653001701467653002101484653002801505653002501533100002101558700001601579700002701595700001901622700002001641856013201661 2011 eng d a0897-475600aStructural isomerism and effect of fluorination on gas adsorption in copper-tetrazolate based metal organic frameworks0 aStructural isomerism and effect of fluorination on gas adsorptio a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcJUN a2908-29160 v233 a

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

10aCO2 adsorption10afluorination10aHydrogen storage10aMetal-organic framework10astructural isomerism1 aPachfule, Pradip1 aChen, Yifei1 aSahoo, Subash, Chandra1 aJiang, Jianwen1 aBanerjee, Rahul uhttps://library.ncl.res.in/content/structural-isomerism-and-effect-fluorination-gas-adsorption-copper-tetrazolate-based-metal-001583nas a2200217 4500008004100000022001400041245010700055210006900162260006900231300001400300490000800314520075500322653002301077653001801100653002701118653002901145100001701174700002501191700001901216856013001235 2011 eng d a0925-838800aStructural, magnetic and mossbauer spectral studies of nanocrystalline Ni0.5Zn0.5Fe2O4 ferrite powders0 aStructural magnetic and mossbauer spectral studies of nanocrysta aPO BOX 564, 1001 LAUSANNE, SWITZERLANDbELSEVIER SCIENCE SAcSEP a8999-90040 v5093 a

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

10aChemical synthesis10aMagnetisation10aMossbauer spectroscopy10aNanostructured materials1 aVerma, Seema1 aJoy, Pattayil, Alias1 aKurian, Sajith uhttps://library.ncl.res.in/content/structural-magnetic-and-mossbauer-spectral-studies-nanocrystalline-ni05zn05fe2o4-ferrite-002882nas a2200181 4500008004100000022001400041245013600055210006900191260007100260300001400331490000800345520213500353100002002488700001402508700002702522700001902549856013202568 2011 eng d a1932-744700aSurface effects on morin transition, exchange bias, and enchanced spin reorientation in chemically synthesized DyFeO3 nanoparticles0 aSurface effects on morin transition exchange bias and enchanced  a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcFEB a2954-29600 v1153 a

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

1 aJaiswal, Adhish1 aDas, Raja1 aAdyanthaya, Suguna, D.1 aPoddar, Pankaj uhttps://library.ncl.res.in/content/surface-effects-morin-transition-exchange-bias-and-enchanced-spin-reorientation-chemically-002068nas a2200241 4500008004100000022001400041245010400055210006900159260009200228300001200320490000600332520118900338653001401527653002501541653002701566653001801593100001601611700002501627700002101652700002001673700001801693856011501711 2011 eng d a1941-490000aSynthesis and characterization of bifunctional ethenylene bridged mesoporous organoaluminosilicates0 aSynthesis and characterization of bifunctional ethenylene bridge a26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USAbAMER SCIENTIFIC PUBLISHERScAUG a497-5020 v33 a

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

10aAluminium10aCationic Surfactants10aHydrothermal stability10aOrganosilicas1 aShylesh, S.1 aKapoor, Mahendra, P.1 aJuneja, Lekh, R.1 aSrilakshmi, Ch.1 aSingh, A., P. uhttps://library.ncl.res.in/content/synthesis-and-characterization-bifunctional-ethenylene-bridged-mesoporous-001683nas a2200241 4500008004100000022001400041245009300055210006900148260006900217300001400286490000800300520082500308653002301133653001901156653002801175653001401203100002001217700001901237700001801256700001801274700002201292856012701314 2011 eng d a0925-838800aSynthesis and characterization of chemically deposited nickel substituted CdSe thin film0 aSynthesis and characterization of chemically deposited nickel su aPO BOX 564, 1001 LAUSANNE, SWITZERLANDbELSEVIER SCIENCE SAcFEB a2948-29510 v5093 a

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

10aChemical synthesis10aCrystal growth10aElectrical conductivity10athin film1 aHankare, P., P.1 aJadhav, B., V.1 aChate, P., A.1 aSathe, D., J.1 aMulla, Imtiaz, S. uhttps://library.ncl.res.in/content/synthesis-and-characterization-chemically-deposited-nickel-substituted-cdse-thin-film-001740nas a2200205 4500008004100000022001400041245012100055210006900176260007400245300001400319490000700333520094800340100002001288700001801308700002001326700001801346700001901364700002201383856012901405 2011 eng d a0957-452200aSynthesis and characterization of cobalt substituted zinc ferri-chromites prepared by sol-gel auto-combustion method0 aSynthesis and characterization of cobalt substituted zinc ferric aVAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDSbSPRINGERcAUG a1109-11150 v223 a

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

1 aHankare, P., P.1 aVader, V., T.1 aSankpal, U., B.1 aPatil, R., P.1 aJadhav, A., V.1 aMulla, Imtiaz, S. uhttps://library.ncl.res.in/content/synthesis-and-characterization-cobalt-substituted-zinc-ferri-chromites-prepared-sol-gel-001264nas a2200217 4500008004100000022001400041245005800055210005800113260007400171300001400245490000700259520054300266653001700809653001800826653003000844100002000874700001400894700002700908700001900935856009200954 2011 eng d a1388-076400aSynthesis and optical studies of GdCrO3 nanoparticles0 aSynthesis and optical studies of GdCrO3 nanoparticles aVAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDSbSPRINGERcMAR a1019-10270 v133 a

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

10ahydrothermal10aNanoparticles10aRare earth orthochromites1 aJaiswal, Adhish1 aDas, Raja1 aAdyanthaya, Suguna, D.1 aPoddar, Pankaj uhttps://library.ncl.res.in/content/synthesis-and-optical-studies-gdcro3-nanoparticles-001950nas a2200265 4500008004100000022001400041245012600055210006900181260007700250300001600327490000700343520093400350653002701284653001601311653003601327653001301363653002501376100002201401700002401423700002601447700002201473700003501495700002401530856013001554 2011 eng d a0947-653900aSynthesis and structural characterization of homochiral homo-oligomers of parent CIS- and trans-furanoid-beta-amino acids0 aSynthesis and structural characterization of homochiral homoolig aPO BOX 10 11 61, D-69451 WEINHEIM, GERMANYbWILEY-V C H VERLAG GMBHcNOV a12946-129540 v173 a

The synthesis of homochiral homo-oligomers of cis- and trans-3-aminotetrahydrofuran-2-carboxylic acids (parent cis- and trans-furanoid-beta-amino acids, referred to as ``cis-/trans-FAA'') has been carried out to understand their secondary structures and their dependence on the ring heteroatom. The oligomers of two diastereomers have been shown to have a distinct left-handed helicity. The cis-FAA homo-oligomers show a 14-helix structure, in contrast to the homo-oligomers of cis-ACPC, which adopt a sheet like structure. The trans-FAA homo-oligomers were found to adopt a 12-helix structure, the same trend found in trans-ACPC homo-oligomers. With the help of ab initio calculations, the structural features of cis-ACPC and cis-FAA hexamers were compared. We believe that the more compact packing of the cis-FAA hexapeptide should be due to a more favorable interaction between the ring and the backbone amide hydrogen.

10aab initio calculations10aAmino acids10aDensity functional calculations10aPeptides10asecondary structures1 aPandey, Sunil, K.1 aJogdand, Ganesh, F.1 aOliveira, Joao, C. A.1 aMata, Ricardo, A.1 aRajamohanan, Pattuparambil, R.1 aRamana, Chepuri, V. uhttps://library.ncl.res.in/content/synthesis-and-structural-characterization-homochiral-homo-oligomers-parent-cis-and-trans-002295nas a2200253 4500008004100000022001400041245017400055210006900229260007300298300001400371490000800385520135300393653001701746653001101763653001101774653001901785653001501804653000801819100002501827700001801852700002001870700002301890856012801913 2011 eng d a0169-433200aSynthesis of Cu-ZnO and C-ZnO nanoneedle arrays on zinc foil by low temperature oxidation route: effect of buffer layers on growth, optical and field emission properties0 aSynthesis of CuZnO and CZnO nanoneedle arrays on zinc foil by lo aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcAUG a8366-83720 v2573 a

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

10aBuffer layer10aCarbon10aCopper10afield emission10aNanoneedle10aZnO1 aJamali-Sheini, Farid1 aPatil, K., R.1 aJoag, Dilip, S.1 aMore, Mahendra, A. uhttps://library.ncl.res.in/content/synthesis-cu-zno-and-c-zno-nanoneedle-arrays-zinc-foil-low-temperature-oxidation-route-001945nas a2200193 4500008004100000022001400041245011500055210006900170260011000239300001400349490000600363520114000369100002501509700002401534700002201558700002301580700002001603856012801623 2011 eng d a2040-336400aSynthesis of single crystalline CdS nanocombs and their application in photo-sensitive field emission switches0 aSynthesis of single crystalline CdS nanocombs and their applicat aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcJAN a1078-10830 v33 a

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

1 aChavan, Padmakar, G.1 aBadadhe, Satish, S.1 aMulla, Imtiaz, S.1 aMore, Mahendra, A.1 aJoag, Dilip, S. uhttps://library.ncl.res.in/content/synthesis-single-crystalline-cds-nanocombs-and-their-application-photo-sensitive-field-001942nas a2200253 4500008004100000022001400041245008500055210006900140260007300209300001200282490000800294520100000302653005101302653001701353653003101370653002601401653002001427100002201447700002001469700002701489700002501516700002901541856011801570 2011 eng d a0927-775700aTiO2 nanoparticle size dependence of porosity, adsorption and catalytic activity0 aTiO2 nanoparticle size dependence of porosity adsorption and cat aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcJUN a195-2000 v3853 a

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

10aCatalytic methylbutynol decomposition activity10aNano-titania10aParticle size dependencies10aPyridine sorptiometry10aSurface texture1 aZaki, Mohamed, I.1 aFouad, Nasr, E.1 aMekhemer, Gamal, A. H.1 aJagadale, Tushar, C.1 aOgale, Satishchandra, B. uhttps://library.ncl.res.in/content/tio2-nanoparticle-size-dependence-porosity-adsorption-and-catalytic-activity-002024nas a2200253 4500008004100000022001400041245014100055210006900196260007100265300001400336490000800350520104100358100002101399700002601420700001801446700002401464700003201488700002401520700001901544700002601563700001901589700003001608856013201638 2011 eng d a1932-744700aToward an understanding of the molecular level properties of ziegler-natta catalyst support with and without the internal electron donor0 aToward an understanding of the molecular level properties of zie a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcFEB a1952-19600 v1153 a

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

1 aThushara, K., S.1 aGnanakumar, Edwin, S.1 aMathew, Renny1 aJha, Ratnesh, Kumar1 aAjithkumar, Thalasseril, G.1 aRajamohanan, P., R.1 aSarma, Krishna1 aPadmanabhan, Sudhakar1 aBhaduri, Sumit1 aGopinath, Chinnakonda, S. uhttps://library.ncl.res.in/content/toward-understanding-molecular-level-properties-ziegler-natta-catalyst-support-and-without-001771nas a2200169 4500008004100000245008700041210006900128260000800197490000600205520117200211100002401383700002101407700001901428700001901447700002101466856011401487 2011 eng d00aWhat drives the redox properties of model green fluorescence protein chromophores?0 aWhat drives the redox properties of model green fluorescence pro cSEP0 v23 aWe report the first experimental determination of the oxidation potentials E-ox(0). (relative to the standard hydrogen electrode, SHE) of model green fluorescent protein (GFP) chromophores. Para-, meta, and ortho-hydroxy (4-hydroxybenzylidene-2,3-dimethylimidazolinone, HBDI) and methoxy (MeOBDI) derivatives were studied. E-ox(0) of the three isomers in acetonitrile are -1.31, -1.52, and -1.39 V, respectively. Electronic structure calculations reproduce the observed differences between the isomers and reveal that E-ox(0) follows the ionization energies (IEs), that is, p-MeOBDI has the lowest IE (6.96 eV in the gas phase) due to resonance stabilization of its cation, whereas the resonance is detuned in m-MeOBDL resulting in more-negative E-ox(0). The observed meta and ortho effects in E-ox(0) are similar to the trends in pK(a). The effect of increased solvent polarity on absolute.E-ox(0) (and especially on para-meta-ortho differences) was found to be small. The redox properties of GFP chromophores are driven by their structure and can be correlated with IEs, which can be exploited in predicting the properties of other fluorescent protein chromophores.1 aSolntsev, Kyril, M.1 aGhosh, Debashree1 aAmador, Adrian1 aJosowicz, Mira1 aKrylov, Anna, I. uhttps://library.ncl.res.in/content/what-drives-redox-properties-model-green-fluorescence-protein-chromophores00924nas a2200253 4500008004100000022001400041245009700055210006900152260007700221300001400298490000600312653002100318653001900339653001300358653002100371653002000392100001800412700002000430700002100450700002400471700002400495700002500519856012600544 2012 eng d a1864-563100a3D Hexaporous carbon assembled from single-layer graphene as high performance supercapacitor0 a3D Hexaporous carbon assembled from singlelayer graphene as high aBOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANYbWILEY-V C H VERLAG GMBHcOCT a2159-21640 v510aElectrochemistry10aEnergy storage10agraphene10aporous materials10aSupercapacitors1 aYadav, Prasad1 aBanerjee, Abhik1 aUnni, Sreekuttan1 aJog, Jyoti, Prakash1 aKurungot, Sreekumar1 aOgale, Satishchandra uhttps://library.ncl.res.in/content/3d-hexaporous-carbon-assembled-single-layer-graphene-high-performance-supercapacitor-002723nas a2200325 4500008004100000022001400041245019400055210006900249260007300318300001200391490000700403520146800410653003301878653001501911653002601926653002501952653002501977653001702002653003502019653002602054653001202080100001802092700003102110700002002141700002402161700002902185700003002214700002502244856012802269 2012 eng d a0927-776500aAdsorption induced enzyme denaturation: the role of protein surface in adsorption induced protein denaturation on allyl glycidyl ether (AGE)-ethylene glycol dimethacrylate (EGDM) copolymers0 aAdsorption induced enzyme denaturation the role of protein surfa aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcFEB a184-1900 v903 a

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

10a1-Cyclohexyl-2-pyrrolidinone10aAdsorption10aAlcohol dehydrogenase10aAlkaline phosphatase10aallyl glycidyl ether10aDenaturation10aethylene glycol dimethacrylate10aGlucose dehydrogenase10aTrypsin1 aThudi, Lahari1 aJasti, Lakshmi, Swarnalath1 aSwarnalatha, Y.1 aFadnavis, Nitin, W.1 aMulani, Khudbudin, Baban1 aDeokar, Sarika, Babasaheb1 aPonrathnam, Surendra uhttps://library.ncl.res.in/content/adsorption-induced-enzyme-denaturation-role-protein-surface-adsorption-induced-protein-002119nas a2200157 4500008004100000022001400041245018300055210006900238260007900307300001400386490000800400520138200408100001901790700002501809856012701834 2012 eng d a0006-349500aAdsorption mechanism and collapse propensities of the full-length, monomeric A beta(1-42) on the surface of a single-walled carbon nanotube: a molecular dynamics simulation study0 aAdsorption mechanism and collapse propensities of the fulllength a600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USAbCELL PRESScAPR a1889-18960 v1023 a

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

1 aJana, Asis, K.1 aSengupta, Neelanjana uhttps://library.ncl.res.in/content/adsorption-mechanism-and-collapse-propensities-full-length-monomeric-beta1-42-surface-000684nas a2200145 4500008004100000022001400041245014100055210006900196260008000265300001400345490000800359100002500367700001900392856012700411 2012 eng d a0006-349500aAdsorption of the full length amyloid beta peptide on the carbon nanotube surface and the thermodynamic implications for fibrillogenesis0 aAdsorption of the full length amyloid beta peptide on the carbon a600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USAbBiophys SoccJAN a732A-733A0 v1021 aSengupta, Neelanjana1 aJana, Asis, K. uhttps://library.ncl.res.in/content/adsorption-full-length-amyloid-beta-peptide-carbon-nanotube-surface-and-thermodynamic-002335nas a2200229 4500008004100000022001400041245017300055210006900228260007100297300001400368490000700382520140600389100002101795700002601816700002301842700002201865700002301887700002601910700002601936700002301962856012001985 2012 eng d a0022-326300aAlpha-geminal dihydroxymethyl piperidine and pyrrolidine iminosugars: synthesis, conformational analysis, glycosidase inhibitory activity, and molecular docking studies0 aAlphageminal dihydroxymethyl piperidine and pyrrolidine iminosug a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcSEP a7873-78820 v773 a

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

1 aPawar, Nitin, J.1 aParihar, Vijay, Singh1 aChavan, Sanjay, T.1 aJoshi, Rakesh, S.1 aJoshi, Pranaya, V.1 aSabharwal, Sushma, G.1 aPuranik, Vedavati, G.1 aDhavale, Dilip, D. uhttps://library.ncl.res.in/content/alpha-geminal-dihydroxymethyl-piperidine-and-pyrrolidine-iminosugars-synthesis-001894nas a2200397 4500008004100000245007400041210006900115260000800184520048600192100002000678700003100698700003500729700003100764700002800795700003300823700002500856700004300881700002400924700003100948700001900979700003000998700002901028700002701057700002901084700003001113700003401143700003001177700002501207700002401232700001901256700003001275700002901305700002701334700003101361856010401392 2012 eng d00aAmino functionalized oligo polyimides with enhanced storage stability0 aAmino functionalized oligo polyimides with enhanced storage stab cJUL3 a

The invention relates to an improved process for the preparation of amino functionalized oligomeric monomeric reactant type polyimides having higher stability. More particularly it relates to a process for the preparation of soluble imide prepolymers, used as matrix resins that can be rapidly cured with multi-functional moieties such as diepoxy, dicarboxyl, anhydride, diisocyanates to form crosslinked structures having enhanced thermal stability and mechanical strength.

1 aDwivedi, Mayank1 aRao, Locanindi, Hari Sarvo1 aMohan, Srinivasulu, Reddy Kris1 aDhanasekharan, Janakiraman1 aRao, Bevara, Madhusudan1 aKumar, Sriperambudur, Rajesh1 aPonrathnam, Surendra1 aRajan, Chelanattukizhakkemadath, Raman1 aTayal, Rajiv, Kumar1 aShadbar, Qureshi, Mohammed1 aChavan, Nayaku1 aDeokar, Sarika, Babasaheb1 aMulani, Khudbudin, Baban1 aGhorpade, Ravindra, V.1 aBhongale, Sunil, Sitaram1 aNalawade, Archana, Chetan1 aSontakke, Kalpana, Vishwanath1 aBhosle, Sonali, Madhavrao1 aMule, Smita, Atmaram1 aDhoble, Deepa, Arun1 aJohn, Aruldoss1 aShaikh, Wasif, Abdul Late1 aHarikrishna, Reghunathan1 aPunitharasu, Vellimala1 aMomin, Mohasin, Shamshuddi uhttps://library.ncl.res.in/content/amino-functionalized-oligo-polyimides-enhanced-storage-stability02149nas a2200229 4500008004100000022001400041245011300055210006900168260005700237300000900294490000800303520130600311653000801617653003301625653003701658653002301695653001301718100002301731700002201754700001601776856012701792 2012 eng d a1432-881X00aBehaviour of density functional theory for electric response properties at distorted geometries of molecules0 aBehaviour of density functional theory for electric response pro a233 SPRING ST, NEW YORK, NY 10013 USAbSPRINGERcFEB a10940 v1313 a

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

10aDFT10aDipole-dipole polarizability10aDipole-quadrupole polarizability10aDistorted geometry10aNIA-CPKS1 aShedge, Sapana, V.1 aJoshi, Sayali, P.1 aPal, Sourav uhttps://library.ncl.res.in/content/behaviour-density-functional-theory-electric-response-properties-distorted-geometries-000684nas a2200181 4500008004100000245011100041210006900152260000800221300001200229490000600241100001900247700002100266700001900287700001900306700001700325700002500342856013500367 2012 eng d00aBioanalytical method development and validation of levalbuterol a β2-adrenergic agonist by RP-HPLC method0 aBioanalytical method development and validation of levalbuterol  cMAR a249-2530 v41 aGhemud, A., S.1 aSanthakumari, B.1 aPharne, A., B.1 aJadhav, M., M.1 aJain, K., S.1 aKulkarni, Mahesh, J. uhttps://library.ncl.res.in/content/bioanalytical-method-development-and-validation-levalbuterol-%CE%B22-adrenergic-agonist-rp-hplc01823nas a2200181 4500008004100000245012800041210006900169260000800238300001200246490000600258520114600264100001901410700002101429700001901450700001701469700002501486856013001511 2012 eng d00aBioanalytical method development and validation of vildagliptin a novel dipeptidyl peptidase IV inhibitor by RP-HPLC method0 aBioanalytical method development and validation of vildagliptin  cJUN a119-1230 v43 a

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

1 aPharne, A., B.1 aSanthakumari, B.1 aGhemud, A., S.1 aJain, H., K.1 aKulkarni, Mahesh, J. uhttps://library.ncl.res.in/content/bioanalytical-method-development-and-validation-vildagliptin-novel-dipeptidyl-peptidase-iv01333nas a2200229 4500008004100000022001400041245004900055210004900104260010600153300001400259490000800273520058400281653002300865653001200888653001400900653001900914100001800933700002100951700002400972700002900996856007801025 2012 eng d a0038-109800aCarbon nanoscrolls by pyrolysis of a polymer0 aCarbon nanoscrolls by pyrolysis of a polymer aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcDEC a2092-20950 v1523 a

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

10aCarbon nanoscrolls10aPolymer10aPyrolysis10asupercapacitor1 aYadav, Prasad1 aWarule, Sambhaji1 aJog, Jyoti, Prakash1 aOgale, Satishchandra, B. uhttps://library.ncl.res.in/content/carbon-nanoscrolls-pyrolysis-polymer-002367nas a2200229 4500008004100000022001400041245013300055210006900188260011000257300001400367490000600381520144300387100001701830700001701847700002001864700002001884700002601904700002901930700002201959700003101981856012502012 2012 eng d a2046-206900aCe-Ni mixed oxide as efficient catalyst for H-2 production and nanofibrous carbon material from ethanol in the presence of water0 aCeNi mixed oxide as efficient catalyst for H2 production and nan aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcAUG a9626-96340 v23 a

Hydrogen production from ethanol steam reforming (H2O/C2H5OH = 3) was studied over Ce-Ni based catalysts issued from different preparation methods (co-precipitation (CP), impregnation (IMP) and incipient wetness impregnation (IWI)). Catalysts prepared by the CP method exhibit higher activity and much better stability compared to the other two types of catalysts. The Ni1CeOY-CP catalyst is able to completely convert ethanol at 450 degrees C to H-2, CO2 and CH4 (almost no CO is observed), with a H-2 yield of 3 moles of hydrogen produced per mole of ethanol converted. A very high H-2 yield of 4.6 mol mol(EtOH)(-1) is achieved over the Ni1CeOY-CP mixed oxide at 650 degrees C. Correlations between the preparation method, catalytic activity and stability, and type of carbon deposition are discussed. The CP method forms very active small sized NiO (15 nm) and CeO2 (4 nm) nanoparticles, leading to the formation of a lower amount of carbon deposition in the form of nanofibrous carbon materials, the size of which depends on the Ni related nanoparticles. For CP catalysts, the graphitic filaments obtained correspond to carbon nanofibers (CNFs) and carbon nanotubes (CNTs) with a much smaller and homogenous size compared to the filamentous carbon formed over the catalysts issued from the other preparation methods, in relation to the active particles size. The catalytic stability is attributed to the type of carbon formed.

1 aFang, Wenhao1 aPirez, Cyril1 aCapron, Mickael1 aPaul, Sebastien1 aRaja, Thirumalaiswamy1 aDhepe, Paresh, Laxmikant1 aDumeignil, Franck1 aJalowiecki-Duhamel, Louise uhttps://library.ncl.res.in/content/ce-ni-mixed-oxide-efficient-catalyst-h-2-production-and-nanofibrous-carbon-material-002267nas a2200265 4500008004100000022001400041245011100055210006900166260007300235300001200308490000600320520129400326653001701620653001801637653002601655653002701681100002301708700002101731700001701752700002501769700002701794700002201821700002901843856012901872 2012 eng d a1549-963400aCharacterization of biocompatible NiCo2O4 nanoparticles for applications in hyperthermia and drug delivery0 aCharacterization of biocompatible NiCo2O4 nanoparticles for appl aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcMAY a452-4590 v83 a

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

10aCytotoxicity10adrug delivery10aMagnetic hyperthermia10aMagnetic nanoparticles1 aKale, Sangeeta, N.1 aJadhav, Anil, D.1 aVerma, Seema1 aKoppikar, Soumya, J.1 aKaul-Ghanekar, Ruchika1 aDhole, Sanjay, D.1 aOgale, Satishchandra, B. uhttps://library.ncl.res.in/content/characterization-biocompatible-nico2o4-nanoparticles-applications-hyperthermia-and-drug-001249nas a2200145 4500008004100000245009600041210006900137260000800206300001100214490000800225520070800233100002400941700001600965856012200981 2012 eng d00aChIP-Seq data analysis: identification of protein-DNA binding sites with SISSRs peak-finder0 aChIPSeq data analysis identification of proteinDNA binding sites cJAN a305-220 v8023 aProtein-DNA interactions play key roles in determining gene-expression programs during cellular development and differentiation. Chromatin immunoprecipitation (ChIP) is the most widely used assay for probing such interactions. With recent advances in sequencing technology, ChIP-Seq, an approach that combines ChIP and next-generation parallel sequencing is fast becoming the method of choice for mapping protein-DNA interactions on a genome-wide scale. Here, we briefly review the ChIP-Seq approach for mapping protein-DNA interactions and describe the use of the SISSRs peak-finder, a software tool for precise identification of protein-DNA binding sites from sequencing data generated using ChIP-Seq.1 aNarlikar, Leelavati1 aJothi, Raja uhttps://library.ncl.res.in/content/chip-seq-data-analysis-identification-protein-dna-binding-sites-sissrs-peak-finder03013nas a2200409 4500008004100000022001400041245012700055210006900182260008000251300001600331490000800347520160500355653001701960653001701977100002201994700001802016700001802034700002102052700001702073700002002090700002202110700002802132700002002160700002002180700002802200700002202228700002102250700002002271700002902291700002602320700001902346700002702365700002602392700003202418700002502450856012802475 2012 eng d a0027-842400aCholesterol-tethered platinum II-based supramolecular nanoparticle increases antitumor efficacy and reduces nephrotoxicity0 aCholesteroltethered platinum IIbased supramolecular nanoparticle a2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USAbNATL ACAD SCIENCEScJUL a11294-112990 v1093 a

Nanoscale drug delivery vehicles have been harnessed extensively as carriers for cancer chemotherapeutics. However, traditional pharmaceutical approaches for nanoformulation have been a challenge with molecules that exhibit incompatible physicochemical properties, such as platinum-based chemotherapeutics. Here we propose a paradigm based on rational design of active molecules that facilitate supramolecular assembly in the nanoscale dimension. Using cisplatin as a template, we describe the synthesis of a unique platinum (II) tethered to a cholesterol backbone via a unique monocarboxylato and O -> Pt coordination environment that facilitates nanoparticle assembly with a fixed ratio of phosphatidylcholine and 1,2-distearoyl-sn-glycero-3-phosphoethanolamine- N-[amino (polyethylene glycol)-2000]. The nanoparticles formed exhibit lower IC50 values compared with carboplatin or cisplatin in vitro, and are active in cisplatin-resistant conditions. Additionally, the nanoparticles exhibit significantly enhanced in vivo antitumor efficacy in murine 4T1 breast cancer and in K-Ras(LSL/+/)Pten(fl/fl) ovarian cancer models with decreased systemic- and nephro-toxicity. Our results indicate that integrating rational drug design and supramolecular nanochemistry can emerge as a powerful strategy for drug development. Furthermore, given that platinum-based chemotherapeutics form the frontline therapy for a broad range of cancers, the increased efficacy and toxicity profile indicate the constructed nanostructure could translate into a nextgeneration platinum-based agent in the clinics.

10achemotherapy10ananomedicine1 aSengupta, Poulomi1 aBasu, Sudipta1 aSoni, Shivani1 aPandey, Ambarish1 aRoy, Bhaskar1 aOh, Michael, S.1 aChin, Kenneth, T.1 aParaskar, Abhimanyu, S.1 aSarangi, Sasmit1 aConnor, Yamicia1 aSabbisetti, Venkata, S.1 aKopparam, Jawahar1 aKulkarni, Ashish1 aMuto, Katherine1 aAmarasiriwardena, Chitra1 aJayawardene, Innocent1 aLupoli, Nicola1 aDinulescu, Daniela, M.1 aBonventre, Joseph, V.1 aMashelkar, Raghunath, Anant1 aSengupta, Shiladitya uhttps://library.ncl.res.in/content/cholesterol-tethered-platinum-ii-based-supramolecular-nanoparticle-increases-antitumor-002944nas a2200325 4500008004100000022001400041245017600055210006900231260007400300300001200374490000700386520175900393653003502152653002702187653003602214653001202250100002002262700001702282700002102299700001502320700001502335700001702350700002002367700001902387700001902406700002002425700002702445700002402472856012202496 2012 eng d a0167-690300aCloning, characterization and impact of up- and down-regulating subabul cinnamyl alcohol dehydrogenase (CAD) gene on plant growth and lignin profiles in transgenic tobacco0 aCloning characterization and impact of up and downregulating sub aVAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDSbSPRINGERcAPR a239-2530 v663 a

Both cDNA including 5'UTR and 3'UTR and genomic clones of cinnamyl alcohol dehydrogenase (CAD) were isolated and characterized from a pulp-yielding leguminous tree Leucaena leucocephala (LlCAD1). The deduced amino acid sequence shared high identity with orthologous sequences of Acacia mangium x Acacia auriculiformis (83%), Medicago sativa (83%), Nicotiana tabaccum (83%) and Aralia cordata (81%). Full length cDNA contained 78 bases of 5'UTR and 283 bases of 3'UTR, while the genomic clone contained 5 exons and 4 introns. Western blot analysis revealed elevated expression of LlCAD1 in seedling roots and shoots compared to leaves. Sense and antisense CAD tobacco transgenics showed increased and reduced CAD activity accompanied by a change in monomeric lignin composition. Histochemical staining of lignin in down-regulated plants suggested an increase in aldehyde units and a decrease in S/G ratio. Down-regulation of CAD resulted in accumulation of syringic, ferulic, p-coumaric and sinapic acids compared to untransformed controls. These observations were validated by anatomical studies of down-regulated transgenic stems which showed thin walled, elongated phloem and xylem fibres, accompanied by a reduction in the density of vessel elements and amount of secondary xylem when compared to untransformed plants. Furthermore, Klason lignin analysis of CAD antisense transgenics showed 7-32% reduced lignin and normal phenotype as compared to untransformed plants. Such a reduction was not noticed in up-regulated transgenics. These results demonstrate a unique opportunity to explore the significant role that down-regulation of CAD gene plays in reducing lignin content thereby offering potential benefits to the pulp and paper industry.

10aCinnamyl alcohol dehydrogenase10aLignin down-regulation10aSubabul (Leucaena leucocephala)10aTobacco1 aSirisha, V., L.1 aPrashant, S.1 aKumar, Ranadheer1 aPramod, S.1 aJalaja, N.1 aKumari, Hima1 aRao, Maheshwari1 aRao, Nageswara1 aMishra, Preeti1 aKarumanchi, Rao1 aKhan, Bashir, Mohammad1 aKishor, P., B. Kavi uhttps://library.ncl.res.in/content/cloning-characterization-and-impact-and-down-regulating-subabul-cinnamyl-alcohol-001305nas a2200241 4500008004100000022001400041245010500055210006900160260008800229300001200317490000700329520038900336653004000725653002500765653004000790100001800830700001400848700002100862700001700883700002300900700001600923856012400939 2012 eng d a0324-113000aConducting polyanilline based paints on hot dip galvanized low carbon steel for corrosion protection0 aConducting polyanilline based paints on hot dip galvanized low c aCENTRAL LIBRARY 7 NOEMVRI NO 1, SOFIA, 00000, BULGARIAbBULGARIAN ACAD SCIENCEcJAN a318-3230 v443 a

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

10aConducting polyaniline based paints10acorrosion prevention10ahot dip galvanized low carbon steel1 aDeshpande, P.1 aVagge, S.1 aJagtap, Sharmili1 aKhiarnar, R.1 aKelkar, Sarika, A.1 aMore, Minal uhttps://library.ncl.res.in/content/conducting-polyanilline-based-paints-hot-dip-galvanized-low-carbon-steel-corrosion-001896nas a2200277 4500008004100000022001400041245008600055210006900141260007300210300001000283490000800293520099500301653000601296653001801302653001801320653001501338653001201353653002801365100001701393700001701410700001901427700001801446700002201464700001801486856011401504 2012 eng d a0920-586100aCopper modified waste fly ash as a promising catalyst for glycerol hydrogenolysis0 aCopper modified waste fly ash as a promising catalyst for glycer aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcAUG a31-370 v1903 a

Several catalyst formulations using waste fly ash along with Cu were prepared and characterised by XRD, BET and TEM. These catalysts were also evaluated for the first time for hydrogenolysis of glycerol to 1,2 propanediol (1,2-PDO) in a batch reactor under 52 bar H-2 pressure in the temperature range of 473-513 K conditions. The fly ash pretreated by alkali using the fusion method and impregnated with Cu showed higher activity and stability for glycerol hydrogenolysis. Due to pretreatment with alkali at high temperature, transformation of alpha-quartz to the tridymite phase of SiO2 occurred. More importantly, use of alkali either during the pretreatment or the Cu loading step resulted in a high dispersion on the surface which was responsible for higher glycerol conversion and 1,2-PDO selectivity. The effects of temperature, Cu loading and solvent on glycerol conversion and product selectivities were also studied in this work. (C) 2011 Elsevier B.V. All rights reserved.

10a110a2-Propanediol10aAlkali fusion10aCu loading10aFly ash10aGlycerol hydrogenolysis1 aRode, C., V.1 aMane, R., B.1 aPotdar, A., S.1 aPatil, P., B.1 aNiphadkar, P., S.1 aJoshi, P., N. uhttps://library.ncl.res.in/content/copper-modified-waste-fly-ash-promising-catalyst-glycerol-hydrogenolysis-002469nas a2200253 4500008004100000022001400041245011400055210006900169260007400238300001200312490000700324520154700331653000901878653002901887653003101916653000801947100002101955700002501976700002402001700002602025700002102051700002102072856012202093 2012 eng d a1380-374300aDevelopment of genomic simple sequence repeat markers for linseed using next-generation sequencing technology0 aDevelopment of genomic simple sequence repeat markers for linsee aVAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDSbSPRINGERcJUN a597-6060 v303 a

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

10aFlax10aMicrosatellite isolation10aNext-generation sequencing10aSSR1 aKale, Sandip, M.1 aPardeshi, Varsha, C.1 aKadoo, Narendra, Y.1 aGhorpade, Prakash, B.1 aJana, Murari, M.1 aGupta, Vidya, S. uhttps://library.ncl.res.in/content/development-genomic-simple-sequence-repeat-markers-linseed-using-next-generation-001325nas a2200229 4500008004100000022001400041245008900055210006900144260005700213300001400270490000700284520046000291653002400751653003300775653003100808653004400839653001800883100002200901700003000923700002200953856012000975 2012 eng d a1610-294000aDimensionality reduction in computational demarcation of protein tertiary structures0 aDimensionality reduction in computational demarcation of protein a233 SPRING ST, NEW YORK, NY 10013 USAbSPRINGERcJUN a2741-27540 v183 a

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

10aLogistic regression10aPrincipal component analysis10aProtein structural classes10aQuantitative features of tertiary folds10aSCOP database1 aJoshi, Rajani, R.1 aPanigrahi, Priyabrata, R.1 aPatil, Reshma, N. uhttps://library.ncl.res.in/content/dimensionality-reduction-computational-demarcation-protein-tertiary-structures-001248nas a2200229 4500008004100000022001400041245008600055210006900141260007100210300001400281490000700295520042100302653001900723653001400742653003000756653002400786100002400810700002500834700002400859700001800883856011700901 2012 eng d a0897-475600aDisordered brownmillerite Ba2InCeO5+delta with enhanced oxygen reduction activity0 aDisordered brownmillerite Ba2InCeO5delta with enhanced oxygen re a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcJUL a2823-28280 v243 a

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

10abrownmillerite10afuel cell10aoxygen reduction reaction10aRietveld refinement1 aJijil, Chamundi, P.1 aUnni, SreeKuttan, M.1 aSreekumar, Kurungot1 aDevi, Nandini uhttps://library.ncl.res.in/content/disordered-brownmillerite-ba2inceo5delta-enhanced-oxygen-reduction-activity-001672nas a2200265 4500008004100000022001400041245010700055210006900162260007500231300001000306490000600316520072300322653001701045653002101062653002701083653001601110100001601126700002101142700002501163700002501188700002301213700002601236700002001262856012401282 2012 eng d a1862-834600aDynamic proteome in enigmatic preeclampsia: an account of molecular mechanisms and biomarker discovery0 aDynamic proteome in enigmatic preeclampsia an account of molecul aPOSTFACH 101161, 69451 WEINHEIM, GERMANYbWILEY-V C H VERLAG GMBHcJAN a79-900 v63 a

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

10aHypertension10aOxidative stress10aPregnancy complication10aProteinuria1 aMary, Sheon1 aPatil, Gouri, V.1 aKulkarni, Asmita, V.1 aKulkarni, Mahesh, J.1 aJoshi, Sadhana, R.1 aMehendale, Savita, S.1 aGiri, Ashok, P. uhttps://library.ncl.res.in/content/dynamic-proteome-enigmatic-preeclampsia-account-molecular-mechanisms-and-biomarker-001744nas a2200265 4500008004100000022001400041245013300055210006900188260007300257300001200330490000800342520077200350653002101122653001701143653002801160653003201188653002301220100001701243700002101260700002201281700001801303700001801321700001701339856012201356 2012 eng d a0920-586100aEffect of preparation parameters of Cu catalysts on their physico-chemical properties and activities for glycerol hydrogenolysis0 aEffect of preparation parameters of Cu catalysts on their physic aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcDEC a321-3290 v1983 a

Cu based catalysts were prepared by co-precipitation, alkali fusion followed by precipitation and direct solid state fusion methods. The changes in the phase formation, morphology, crystallite size, extent of aggregation, strength and nature of acid sites were observed due to variations in precipitating agents and also their order of addition. The catalyst prepared by co-precipitation using Na2CO3 showed the predominant presence of metallic Cu phase with a crystallite size of 5 nm, well segregated spherical morphology and highest acidity in the activated sample. These intrinsic properties contributed to achieve the highest glycerol conversion of 62% and 1,2-PDO selectivity of 88% in glycerol hydrogenolysis. (C) 2012 Elsevier B.V. All rights reserved.

10aCo-precipitation10aCu catalysts10aGlycerol hydrogenolysis10aPhysico-chemical properties10aSolid state fusion1 aMane, R., B.1 aKondawar, S., E.1 aNiphadkar, P., S.1 aJoshi, P., N.1 aPatil, K., R.1 aRode, C., V. uhttps://library.ncl.res.in/content/effect-preparation-parameters-cu-catalysts-their-physico-chemical-properties-and-001751nas a2200205 4500008004100000022001400041245006800055210006600123260012100189300001200310490000700322520099900329653001501328653001601343653002001359653002201379100002001401700002401421856010001445 2012 eng d a1229-919700aElectrospinning of PHBV/ZnO membranes: structure and properties0 aElectrospinning of PHBVZnO membranes structure and properties aKOREA SCIENCE TECHNOLOGY CTR \#501 635-4 YEOGSAM-DONG, KANGNAM-GU, SEOUL 135-703, SOUTH KOREAbKOREAN FIBER SOCcJUL a692-6970 v133 a

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

10aBiomarkers10aBiopolymers10aelectrospinning10aZnO nanoparticles1 aNaphade, Rounak1 aJog, Jyoti, Prakash uhttps://library.ncl.res.in/content/electrospinning-phbvzno-membranes-structure-and-properties-002198nas a2200265 4500008004100000022001400041245012100055210006900176260011000245300001400355490000600369520120900375100001401584700001701598700002101615700002101636700001801657700001501675700002101690700002801711700002201739700001701761700002201778856013201800 2012 eng d a2044-475300aElectrostatic grafting of a triphenylphosphine sulfonate on SBA-15: application in palladium catalyzed hydrogenation0 aElectrostatic grafting of a triphenylphosphine sulfonate on SBA1 aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcFEB a1188-11950 v23 a

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

1 aWang, Lei1 aDehe, Daniel1 aPhilippi, Thomas1 aSeifert, Andreas1 aErnst, Stefan1 aZhou, Zhou1 aHartmann, Martin1 aTaylor, Robin, N. Klupp1 aSingh, Anand, Pal1 aJia, Mingjun1 aThiel, Werner, R. uhttps://library.ncl.res.in/content/electrostatic-grafting-triphenylphosphine-sulfonate-sba-15-application-palladium-catalyzed-001774nas a2200205 4500008004100000022001400041245012000055210006900175260010600244300001400350490000800364520094100372653002001313653002401333653001801357653003001375100001701405700002501422856012101447 2012 eng d a0038-109800aEnhanced magnetic parameters in the morphotropic phase boundary region of nanocrystalline multiferroic Bi1-xLaxFeO30 aEnhanced magnetic parameters in the morphotropic phase boundary  aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcAUG a1609-16120 v1523 a

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

10aBismuth ferrite10amagnetic properties10aMultiferroics10aNanocrystalline materials1 aThakuria, P.1 aJoy, Pattayil, Alias uhttps://library.ncl.res.in/content/enhanced-magnetic-parameters-morphotropic-phase-boundary-region-nanocrystalline-001469nas a2200181 4500008004100000022001400041245010100055210006900156260011000225300001200335490000600347520072300353100001901076700001801095700002501113700002401138856012501162 2012 eng d a2040-336400aEnhanced piezoresponse of electrospun PVDF mats with a touch of nickel chloride hexahydrate salt0 aEnhanced piezoresponse of electrospun PVDF mats with a touch of  aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcFEB a752-7560 v43 a

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

1 aDhakras, Dipti1 aBorkar, Vivek1 aOgale, Satishchandra1 aJog, Jyoti, Prakash uhttps://library.ncl.res.in/content/enhanced-piezoresponse-electrospun-pvdf-mats-touch-nickel-chloride-hexahydrate-salt-001755nas a2200217 4500008004100000022001400041245013100055210006900186260007100255300001400326490000600340520092800346653001901274653002101293653002001314653001901334653001401353100002801367700002501395856011701420 2012 eng d a1944-824400aEnhancement in the magnetostriction of sintered cobalt ferrite by making self-composites from nanocrystalline and bulk powders0 aEnhancement in the magnetostriction of sintered cobalt ferrite b a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcDEC a6421-64250 v43 a

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

10aCobalt ferrite10aMagnetostriction10aNanocrystalline10aself-composite10aSintering1 aMohaideen, Kamal, Khaja1 aJoy, Pattayil, Alias uhttps://library.ncl.res.in/content/enhancement-magnetostriction-sintered-cobalt-ferrite-making-self-composites-003073nas a2200289 4500008004100000022001400041245010500055210006900160260007300229300001000302490000700312520198800319653002502307653002302332653003502355653002602390653002102416653003202437100001802469700003102487700002502518700002402543700002902567700003002596700002502626856013202651 2012 eng d a1381-117700aEnzyme immobilization on epoxy supports in reverse micellar media: prevention of enzyme denaturation0 aEnzyme immobilization on epoxy supports in reverse micellar medi aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcJAN a54-620 v743 a

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

10aallyl glycidyl ether10aalpha-Chymotrypsin10aethylene glycol dimethacrylate10aGlucose dehydrogenase10aReverse micelles10aYeast alcohol dehydrogenase1 aThudi, Lahari1 aJasti, Lakshmi, Swarnalath1 aSwarnalatha, Yalangi1 aFadnavis, Nitin, W.1 aMulani, Khudbudin, Baban1 aDeokar, Sarika, Babasaheb1 aPonrathnam, Surendra uhttps://library.ncl.res.in/content/enzyme-immobilization-epoxy-supports-reverse-micellar-media-prevention-enzyme-denaturation-001876nas a2200397 4500008004100000245007700041210006900118260000800187520046300195100002900658700002900687700003000716700001900746700004300765700003000808700002400838700002000862700002700882700002900909700003100938700001900969700003200988700003101020700002901051700002501080700003001105700002801135700003101163700002401194700003001218700003401248700003101282700003301313700002501346856010701371 2012 eng d00aEthyl oligo-silicates with strong acid heterogeneous polymeric catalysts0 aEthyl oligosilicates with strong acid heterogeneous polymeric ca cMAY3 a

The present invention provides a process for the synthesis of ethyl silicate with varying silica concentration, by hydrolysing ethyl silicate in varying water concentration in the presence of sulfonated catalysts having a styrene-divinyl benzene backbone. The present invention further relates to the preparation of beaded crosslinked polymers containing sulfonic acid moieties having an interconnected pore structure and surface area up to 400 m2 /g.

1 aBevara, Madhusudana, Rao1 aBhongale, Sunil, Sitaram1 aBhosle, Sonali, Madhavrao1 aChavan, Nayaku1 aChelanattukizhakkemadath, Raman, Rajan1 aDeokar, Sarika, Babasaheb1 aDhoble, Deepa, Arun1 aDwivedi, Mayank1 aGhorpade, Ravindra, V.1 aHarikrishna, Reghunathan1 aDhanasekharan, Janakiraman1 aJohn, Aruldoss1 aLocanindi, Hari, Sarvothama1 aMomin, Mohasin, Shamshuddi1 aMulani, Khudbudin, Baban1 aMule, Smita, Atmaram1 aNalawade, Archana, Chetan1 aPunitharasu, Vellimalai1 aQureshi, Mohammed, Shadbar1 aKumar, Tayal, Rajiv1 aShaikh, Wasif, Abdul Late1 aSontakke, Kalpana, Vishwanath1 aReddy, Krishna, Mohan Srin1 aSriperambudur, Rajesh, Kumar1 aPonrathnam, Surendra uhttps://library.ncl.res.in/content/ethyl-oligo-silicates-strong-acid-heterogeneous-polymeric-catalysts01711nas a2200217 4500008004100000022001400041245007900055210006900134260007300203300001000276490000800286520092600294653002901220653003001249653002201279100002201301700002701323700001601350700001801366856010901384 2012 eng d a0301-010400aExtended coupled cluster for Raman and infrared spectra of small molecules0 aExtended coupled cluster for Raman and infrared spectra of small aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcJUL a25-320 v4033 a

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

10aExtended coupled cluster10aIR and Raman spectroscopy10aMixed derivatives1 aJoshi, Sayali, P.1 aDutta, Achintya, Kumar1 aPal, Sourav1 aVaval, Nayana uhttps://library.ncl.res.in/content/extended-coupled-cluster-raman-and-infrared-spectra-small-molecules-000895nas a2200157 4500008004100000022001400041245003500055210003500090260011000125300001400235490000600249520037700255100001700632700001900649856006900668 2012 eng d a2046-206900aFacile synthesis of oxyavicine0 aFacile synthesis of oxyavicine aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcJUL a7087-70900 v23 a

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

1 aJangir, Ravi1 aArgade, N., P. uhttps://library.ncl.res.in/content/facile-synthesis-oxyavicine-002509nas a2200325 4500008004100000022001400041245009900055210006900154260009200223300001200315490000600327520135500333653001001688653001601698653002301714653001001737653002201747100002301769700003101792700003101823700002701854700002501881700002201906700001901928700002301947700002301970700002501993700003302018856013202051 2012 eng d a2158-584900aFluorescent superparamagnetic iron oxide core-shell nanoprobes for multimodal cellular imaging0 aFluorescent superparamagnetic iron oxide coreshell nanoprobes fo a26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USAbAMER SCIENTIFIC PUBLISHERScDEC a265-2740 v23 a

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

10aGPTMS10aMRI Imaging10aMultimodal Imaging10aSPION10aT2 Contrast Agent1 aSmitha, Sasidharan1 aHaseena, Vadakkenchery, S.1 aNarayanan, Tharangattu, N.1 aMary, Antony, P. Reena1 aAjayan, Pulickel, M.1 aPuthumana, Jayesh1 aAziz, Anas, A.1 aAburto, Rebeca, R.1 aMani, Sendurai, A.1 aJoy, Pattayil, Alias1 aAnantharaman, Maliemadom, R. uhttps://library.ncl.res.in/content/fluorescent-superparamagnetic-iron-oxide-core-shell-nanoprobes-multimodal-cellular-imaging-001739nas a2200253 4500008004100000022001400041245009700055210006900152260007700221300001200298490000700310520084200317653001101159653001301170653002101183653002901204653002601233653002201259100002101281700001601302700001901318700002001337856012801357 2012 eng d a0947-653900aFluorinated metal-organic frameworks: advantageous for higher H-2 and CO2 adsorption or not?0 aFluorinated metalorganic frameworks advantageous for higher H2 a aBOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANYbWILEY-V C H VERLAG GMBHcJAN a688-6940 v183 a

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

10acobalt10afluorine10aHydrogen storage10ametal-organic frameworks10amicroporous materials10aX-ray diffraction1 aPachfule, Pradip1 aChen, Yifei1 aJiang, Jianwen1 aBanerjee, Rahul uhttps://library.ncl.res.in/content/fluorinated-metal-organic-frameworks-advantageous-higher-h-2-and-co2-adsorption-or-not-001985nas a2200217 4500008004100000022001400041245011800055210006900173260012500242300002300367490000600390520111300396100002001509700002001529700001501549700001801564700002301582700002401605700001801629856012001647 2012 eng d a2158-322600aFrom small aromatic molecules to functional nanostructured carbon by pulsed laser-induced photochemical stitching0 aFrom small aromatic molecules to functional nanostructured carbo aCIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USAbAMER INST PHYSICScJUN aArticle No. 0221300 v23 a

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

1 aGokhale, R., R.1 aThakare, V., P.1 aWarule, S.1 aLefez, Benoit1 aHannoyer, Beatrice1 aJog, Jyoti, Prakash1 aOgale, S., B. uhttps://library.ncl.res.in/content/small-aromatic-molecules-functional-nanostructured-carbon-pulsed-laser-induced-000929nas a2200181 4500008004100000022001400041245006400055210006400119260007600183300000900259490000800268520029100276100001600567700002600583700002100609700001900630856009800649 2012 eng d a0021-919300aGenome sequence of nitratireductor aquibiodomus strain RA220 aGenome sequence of nitratireductor aquibiodomus strain RA22 a1752 N ST NW, WASHINGTON, DC 20036-2904 USAbAMER SOC MICROBIOLOGYcNOV a63070 v1943 a

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

1 aSingh, Ajit1 aJangir, Pramod, Kumar1 aKumari, Chanchal1 aSharma, Rakesh uhttps://library.ncl.res.in/content/genome-sequence-nitratireductor-aquibiodomus-strain-ra22-001056nas a2200181 4500008004100000022001400041245012500055210006900180260007600249300001400325490000800339520031900347100002600666700001600692700001600708700001900724856013100743 2012 eng d a0021-919300aGenome sequence of the alkaliphilic bacterium nitritalea halalkaliphila type strain LW7, isolated from Lonar Lake, India0 aGenome sequence of the alkaliphilic bacterium nitritalea halalka a1752 N ST NW, WASHINGTON, DC 20036-2904 USAbAMER SOC MICROBIOLOGYcOCT a5688-56890 v1943 a

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

1 aJangir, Pramod, Kumar1 aSingh, Ajit1 aShivaji, S.1 aSharma, Rakesh uhttps://library.ncl.res.in/content/genome-sequence-alkaliphilic-bacterium-nitritalea-halalkaliphila-type-strain-lw7-isolated-001845nas a2200229 4500008004100000022001400041245009500055210006900150260007300219300001200292490000700304520098700311653001701298653002401315653005101339653001901390100002101409700002201430700002001452700002101472856012201493 2012 eng d a0167-577X00aGreen synthesis of TiO2 nanoparticles by using aqueous extract of Jatropha curcas L. latex0 aGreen synthesis of TiO2 nanoparticles by using aqueous extract o aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcMAY a196-1990 v753 a

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

10aBiomaterials10aElectron microscopy10aFourier Transform Infrared Spectroscopy (FTIR)10aNanostructures1 aHudlikar, Manish1 aJoglekar, Shriram1 aDhaygude, Mayur1 aKodam, Kisan, M. uhttps://library.ncl.res.in/content/green-synthesis-tio2-nanoparticles-using-aqueous-extract-jatropha-curcas-l-latex-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-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-001485nas a2200217 4500008004100000022001400041245012600055210006900181260007300250300001200323490000800335520066500343653001001008653001801018653002201036653002301058100001801081700002401099700001801123856012601141 2012 eng d a1387-181100aIn situ encapsulation of ultra small ceria nanoparticles stable at high temperatures in the channels of mesoporous silica0 aIn situ encapsulation of ultra small ceria nanoparticles stable  aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcJUN a215-2190 v1553 a

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

10aceria10aEncapsulation10aMesoporous silica10aTemplate synthesis1 aGhosh, Sumona1 aJijil, Chamundi, P.1 aDevi, Nandini uhttps://library.ncl.res.in/content/situ-encapsulation-ultra-small-ceria-nanoparticles-stable-high-temperatures-channels-001806nas a2200205 4500008004100000022001400041245007700055210006900132260007400201300001200275490000800287520106600295653002301361653001801384653001301402653002401415100002801439700002901467856010401496 2012 eng d a1878-519000aKinetics of the Heck reaction in biphasic organic-ethylene glycol medium0 aKinetics of the Heck reaction in biphasic organicethylene glycol aVAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDSbSPRINGERcAUG a457-4730 v1063 a

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

10aBiphasic catalysis10aHeck reaction10akinetics10aPdCl2(bipy) complex1 aJagtap, Sangeeta, Vijay1 aDeshpande, Raj, Madhukar uhttps://library.ncl.res.in/content/kinetics-heck-reaction-biphasic-organic-ethylene-glycol-medium-002834nas a2200253 4500008004100000022001400041245009400055210006900149260007100218300001400289490000700303520192800310100002702238700002202265700001802287700002002305700001902325700002402344700001702368700003202385700002402417700001902441856012002460 2012 eng d a0024-929700aLamellar melting, not crystal motion, results in softening of polyoxymethylene on heating0 aLamellar melting not crystal motion results in softening of poly a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcAUG a5967-59780 v453 a

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

1 aKumaraswamy, Guruswamy1 aSurve, Nikita, S.1 aMathew, Renny1 aRana, Abhimanyu1 aJha, Saroj, K.1 aBulakh, Neelima, N.1 aNisal, Anuya1 aAjithkumar, Thalasseril, G.1 aRajamohanan, P., R.1 aRatnagiri, Ram uhttps://library.ncl.res.in/content/lamellar-melting-not-crystal-motion-results-softening-polyoxymethylene-heating-001592nas a2200253 4500008004100000022001400041245014200055210006900197260011000266300001400376490000600390520058900396100001900985700002401004700002401028700002101052700001801073700002001091700002401111700002301135700002301158700002901181856012801210 2012 eng d a2040-336400aLaser synthesized super-hydrophobic conducting carbon with broccoli-type morphology as a counter-electrode for dye sensitized solar cells0 aLaser synthesized superhydrophobic conducting carbon with brocco aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcNOV a6730-67340 v43 a

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

1 aGokhale, Rohan1 aAgarkar, Shruti, A.1 aDebgupta, Joyashish1 aShinde, Deodatta1 aLefez, Benoit1 aBanerjee, Abhik1 aJog, Jyoti, Prakash1 aMore, Mahendra, A.1 aHannoyer, Beatrice1 aOgale, Satishchandra, B. uhttps://library.ncl.res.in/content/laser-synthesized-super-hydrophobic-conducting-carbon-broccoli-type-morphology-counter-001742nas a2200217 4500008004100000022001400041245007600055210006900131260007400200300000800274490000700282520099000289653002001279653001001299653002201309100002101331700002201352700002001374700002101394856010901415 2012 eng d a1388-076400aLatex-mediated synthesis of ZnS nanoparticles: green synthesis approach0 aLatexmediated synthesis of ZnS nanoparticles green synthesis app aVAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDSbSPRINGERcMAY a8650 v143 a

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

10agreen synthesis10aLatex10aZnS nanoparticles1 aHudlikar, Manish1 aJoglekar, Shriram1 aDhaygude, Mayur1 aKodam, Kisan, M. uhttps://library.ncl.res.in/content/latex-mediated-synthesis-zns-nanoparticles-green-synthesis-approach-002434nas a2200217 4500008004100000022001400041245010900055210006900164260007300233300001400306490000800320520160500328653001901933653002401952653002101976100001901997700002702016700002502043700001702068856013102085 2012 eng d a0304-885300aMagnetic and magnetoelastic properties of Zn-doped cobalt-ferrites-CoFe2-xZnxO4 (x=0, 0.1, 0.2, and 0.3)0 aMagnetic and magnetoelastic properties of Zndoped cobaltferrites aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcJUL a2286-22910 v3243 a

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

10aCobalt-ferrite10aMagnetic-properties10aMagnetostriction1 aSomaiah, Nalla1 aJayaraman, Tanjore, V.1 aJoy, Pattayil, Alias1 aDas, Dibakar uhttps://library.ncl.res.in/content/magnetic-and-magnetoelastic-properties-zn-doped-cobalt-ferrites-cofe2-xznxo4-x0-01-02-and-001839nas a2200181 4500008004100000022001400041245009700055210006900152260007100221300001400292490000700306520113400313100001401447700002101461700002601482700002901508856012001537 2012 eng d a0888-588500aMCM-41 supported phosphotungstic acid for the hydroxyalkylation of phenol to phenolphthalein0 aMCM41 supported phosphotungstic acid for the hydroxyalkylation o a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcMAR a3916-39220 v513 a

A novel application of phosphotungstic acid, H3PW12O40 (PWA) supported on MCM-41 molecular sieve as a solid acid catalyst has been demonstrated for the synthesis of phenolphthalein by hydroxyalkylation of phenol and phthalic anhydride. PWA/MCM-41 (20%) showed the highest activity as compared to that of parent PWA and MCM-41 individually, due to the excellent dispersion of PWA on MCM-41 leading to the redistribution of Bronsted and Lewis acid sites on MCM-41. The effect of PWA loading on phthalic anhydride conversion and phenolphthalein selectivity was also studied. All these prepared catalysts were characterized by XRD, N-2 adsorption-desorption isotherm, pyridine-FTIR, and NH3-TPD. The effect of various reaction parameters, namely, mole ratios, catalyst concentration, temperature, reaction time, and percentage of PWA present in the catalysts on conversion and selectivity of products has been also investigated. The utility of 20% PWA/MCM-41 catalyst was established by its efficient activity for hydroxyalkylation of phenol and p-cresol with formaldehyde to the corresponding dihydroxydiarylmethane products.

1 aJha, Ajay1 aGarade, Ajit, C.1 aMirajkar, Subhash, P.1 aRode, Chandrashekhar, V. uhttps://library.ncl.res.in/content/mcm-41-supported-phosphotungstic-acid-hydroxyalkylation-phenol-phenolphthalein-001511nas a2200229 4500008004100000022001400041245011300055210006900168260011000237300001600347490000700363520060700370100002000977700001900997700002101016700002401037700002101061700001801082700002301100700002901123856012901152 2012 eng d a0959-942800aMOF derived porous carbon-Fe3O4 nanocomposite as a high performance, recyclable environmental superadsorbent0 aMOF derived porous carbonFe3O4 nanocomposite as a high performan aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcJUN a19694-196990 v223 a

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

1 aBanerjee, Abhik1 aGokhale, Rohan1 aBhatnagar, Sumit1 aJog, Jyoti, Prakash1 aBhardwaj, Monika1 aLefez, Benoit1 aHannoyer, Beatrice1 aOgale, Satishchandra, B. uhttps://library.ncl.res.in/content/mof-derived-porous-carbon-fe3o4-nanocomposite-high-performance-recyclable-environmental-001624nas a2200265 4500008004100000020002200041022001400063245011200077210006900189260013500258300001400393490000900407520061800416653001101034653002401045653002301069653001701092100002401109700002201133700001801155700001501173700002001188700002101208856012901229 2012 eng d a978-0-7354-1044-2 a0094-243X00aNoble metal ions incorporated in lattice points of perovskites - water gas shift activity of BaCe1-xPtxO3-d0 aNoble metal ions incorporated in lattice points of perovskites w a2 Huntington Quadrangle, Ste 1no1, Melville, NY 11747-4501 USAbGovt India, Dept Atom Energy (DAE), Board Res Nucl Sci (BRNS)cJUN a1277-12780 v14473 a

Recently precious metals supported on oxides were reported to be very promising catalysts for the lower-temperature WGS reaction. Here we report the synthesis of platinum doped barium cerate and its use as catalysts for WGS reaction. It has been found that maximum CO conversion was obtained at 350 degrees C which enhanced after the first cycle. XPS analysis shows that after the first cycle more ionic Platinum species are present on the surface of the catalyst. Neutron diffraction at room temperature shows that the oxygen vacancies are in the O2 position and increases with increasing Pt substitution.

10aBaCeO310aNeutron diffraction10aPlatinum catalysis10aWGS reaction1 aJijil, Chamundi, P.1 aRajarajan, A., K.1 aDevi, Nandini1 aMittal, R.1 aChauhan, A., K.1 aMukhopadhyay, R. uhttps://library.ncl.res.in/content/noble-metal-ions-incorporated-lattice-points-perovskites-water-gas-shift-activity-bace1-002318nas a2200277 4500008004100000022001400041245015400055210006900209260007300278300001200351490000700363520129900370653001801669653002501687653000901712653001001721653001601731653003801747100002001785700002501805700002001830700002201850700002101872700002101893856012601914 2012 eng d a0927-776500aNovel route for rapid biosynthesis of copper nanoparticles using aqueous extract of Calotropis procera L. latex and their cytotoxicity on tumor cells0 aNovel route for rapid biosynthesis of copper nanoparticles using aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcJUN a284-2880 v953 a

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

10aBiocompatible10aCopper nanoparticles10aFTIR10aLatex10aTumor cells10aX-ray diffraction technique (XRD)1 aHarne, Shrikant1 aSharma, Ashwinikumar1 aDhaygude, Mayur1 aJoglekar, Shriram1 aKodam, Kisan, M.1 aHudlikar, Manish uhttps://library.ncl.res.in/content/novel-route-rapid-biosynthesis-copper-nanoparticles-using-aqueous-extract-calotropis-002759nas a2200253 4500008004100000022001400041245009800055210006900153260009200222300001200314490000700326520187800333653001202211653000802223653000902231653001902240653000902259100002502268700002302293700002002316700002002336700002002356856012902376 2012 eng d a1533-488000aPhotocatalytic degradation of Azo dyes using Au:TiO2, gamma-Fe2O3:TiO2 functional nanosystems0 aPhotocatalytic degradation of Azo dyes using AuTiO2 gammaFe2O3Ti a26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USAbAMER SCIENTIFIC PUBLISHERScFEB a928-9360 v123 a

We report photocatalytic degradation studies on Navy Blue HE2R (NB) dye on significant details as a representative from the class of azo dyes using functional nanosystems specifically designed to allow a strong photocatalytic activity. A modified sol-gel route was employed to synthesize Au and gamma-Fe2O3 modified TiO2 nanoparticles (NPs) at low temperature. The attachment strategy is better because it allows clear surface of TiO2 to remain open for photo-catalysis. X-ray diffraction, Raman and UV-VIS spectroscopy studies showed the presence of gold and iron oxide phases along-with the anatase TiO2 phase. TEM studies showed TiO2 nanocomposite particles of size similar to 10-12 nm. A detailed investigation on heterogeneous photocatalytic performance for Navy Blue HE2R dye was done using the as-synthesized catalysts Au:TiO2 and gamma-Fe2O3:TiO2 in aqueous suspension under 8 W low-pressure mercury vapour lamp irradiation. Also, the photocatalytic degradation of Amranth and Orange G azo dyes were studied. The surface modified TiO2 NPs showed significantly improved photocatalytic activity as compared to pure TiO2. Exposure of the dye to the UV light in the presence of pure and gold NPs attached TiO2 catalysts caused dye degradation of about similar to 20% and similar to 80%, respectively, in the first couple of hours. In the presence of gamma-Fe2O3 NPs attached TiO2, a remarkable similar to 95% degradation of the azo dye was observed only in the first 15 min of UV exposure. The process parameters for the optimum catalytic activity are established which lead to a complete decoloration and substantial dye degradation, supported by the values of the Chemical Oxygen Demand (COD) similar to 93% and Total Organic Carbon (TOC) similar to 65% of the treated dye solution after 5 hours on the employment of the UV/Au:TiO2/H2O2 photocatalytic process.

10aAzo Dye10aCOD10aH2O210aPhotocatalysis10aTiO21 aJagadale, Tushar, C.1 aKulkarni, Manjusha1 aPravarthana, D.1 aRamadan, Wegdan1 aThakur, Pragati uhttps://library.ncl.res.in/content/photocatalytic-degradation-azo-dyes-using-autio2-gamma-fe2o3tio2-functional-nanosystems-001875nas a2200193 4500008004100000022001400041245009600055210006900151260010400220300002300324520106100347100002601408700002301434700002201457700002501479700002601504700002401530856012701554 2012 eng d a1110-662X00aPhotocatalytic degradation of phenolics by N-doped mesoporous titania under solar radiation0 aPhotocatalytic degradation of phenolics by Ndoped mesoporous tit a410 PARK AVENUE, 15TH FLOOR, \#287 PMB, NEW YORK, NY 10022 USAbHINDAWI PUBLISHING CORPORATIONcMAR aArticle No. 7805623 a

In this study, nitrogen-doped mesoporous titania was synthesized by templating method using chitosan. This biopolymer chitosan plays the dual role of acting as a template (which imparts mesoporosity) and precursor for nitrogen. BET-SA, XRD, UV-DRS, SEM, and FTIR were used to characterize the photocatalyst. The doping of nitrogen into TiO2 lattice and its state was substantiated and measured by XPS. The photocatalytic activity of the prepared N-doped mesoporous titania for phenol and o-chlorophenol degradation was investigated under solar and artificial radiation. The rate of photocatalytic degradation was observed to be higher for o-chlorophenol than that of phenol. The photodegradation of o-chlorophenol was 98.62% and 72.2%, while in case of phenol, degradation to the tune of 69.25% and 30.58% was achieved in solar and artificial radiation. The effect of various operating parameters, namely, catalyst loading, pH, initial concentration and the effect of coexisting ions on the rate of photocatalytic degradation were studied in detail.

1 aMangrulkar, Priti, A.1 aKamble, Sanjay, P.1 aJoshi, Meenal, M.1 aMeshram, Jyotsna, S.1 aLabhsetwar, Nitin, K.1 aRayalu, Sadhana, S. uhttps://library.ncl.res.in/content/photocatalytic-degradation-phenolics-n-doped-mesoporous-titania-under-solar-radiation-001774nas a2200253 4500008004100000022001400041245005400055210005400109260009200163300001400255490000700269520092500276653002401201653001401225653003101239653002901270100002501299700002101324700002301345700001901368700002601387700002101413856008601434 2012 eng d a1028-602000aPhyllocladane diterpenes from anisomeles heyneana0 aPhyllocladane diterpenes from anisomeles heyneana a4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLANDbTAYLOR & FRANCIS LTDcNOV a1162-11680 v143 a

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

10aAnisomeles heyneana10aLamiaceae10aMycobacterium tuberculosis10aphyllocladane diterpenes1 aKulkarni, Roshan, R.1 aShurpali, Ketaki1 aGawade, Rupesh, L.1 aSarkar, Dhiman1 aPuranik, Vedavati, G.1 aJoshi, Swati, P. uhttps://library.ncl.res.in/content/phyllocladane-diterpenes-anisomeles-heyneana-003256nas a2200685 4500008004100000022001400041245005700055210005200112260007100164300001400235490000700249520122200256100002801478700002001506700002301526700001901549700002401568700003001592700002501622700002401647700001801671700002501689700002501714700002101739700002701760700001701787700002501804700002101829700002001850700001801870700001801888700001901906700002201925700002101947700002301968700001601991700002502007700001902032700001702051700002802068700002202096700002102118700002002139700001502159700001802174700001602192700002302208700002402231700002002255700002502275700002602300700002302326700001902349700002202368700002502390700002302415700002102438700002702459856008402486 2012 eng d a1528-748300aPolymorphs, salts, and cocrystals: what's in a name?0 aPolymorphs salts and cocrystals whats in a name a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcMAY a2147-21520 v123 a

The December 2011 release of a draft United States Food and Drug Administration (FDA) guidance concerning regulatory classification of pharmaceutical cocrystals of active pharmaceutical ingredients (APIs) addressed two matters of topical interest to the crystal engineering and pharmaceutical science communities: (1) a proposed definition of cocrystals; (2) a proposed classification of pharmaceutical cocrystals as dissociable ``API-excipient'' molecular complexes. The Indo U.S. Bilateral Meeting sponsored by the Indo-U.S. Science and Technology Forum titled The Evolving Role of Solid State Chemistry in Pharmaceutical Science was held in Manesar near Delhi, India, from February 2-4, 2012. A session of the meeting was devoted to discussion of the FDA guidance draft. The debate generated strong consensus on the need to define cocrystals more broadly and to classify them like salts. It was also concluded that the diversity of API crystal forms makes it difficult to classify solid forms into three categories that are mutually exclusive. This perspective summarizes the discussion in the Indo-U.S. Bilateral Meeting and includes contributions from researchers who were not participants in the meeting.

1 aAitipamula, Srinivasulu1 aBanerjee, Rahul1 aBansal, Arvind, K.1 aBiradha, Kumar1 aCheney, Miranda, L.1 aChoudhury, Angshuman, Roy1 aDesiraju, Gautam, R.1 aDikundwar, Amol, G.1 aDubey, Ritesh1 aDuggirala, Nagakiran1 aGhogale, Preetam, P.1 aGhosh, Soumyajit1 aGoswami, Pramod, Kumar1 aGoud, Rajesh1 aJetti, Ram, R. K. R.1 aKarpinski, Piotr1 aKaushik, Poonam1 aKumar, Dinesh1 aKumar, Vineet1 aMoulton, Brian1 aMukherjee, Arijit1 aMukherjee, Gargi1 aMyerson, Allan, S.1 aPuri, Vibha1 aRamanan, Arunachalam1 aRajamannar, T.1 aReddy, Malla1 aRodriguez-Hornedo, Nair1 aRogers, Robin, D.1 aRow, T., N. Guru1 aSanphui, Palash1 aShan, Ning1 aShete, Ganesh1 aSingh, Amit1 aSun, Changquan, C.1 aSwift, Jennifer, A.1 aThaimattam, Ram1 aThakur, Tejender, S.1 aThaper, Rajesh, Kumar1 aThomas, Sajesh, P.1 aTothadi, Srinu1 aVangala, Venu, R.1 aVariankaval, Narayan1 aVishweshwar, Peddy1 aWeyna, David, R.1 aZaworotko, Michael, J. uhttps://library.ncl.res.in/content/polymorphs-salts-and-cocrystals-whats-name-002045nas a2200661 4500008004100000022001400041245008000055210006900135260007100204300001400275490000700289100002800296700002000324700002300344700001900367700002400386700003000410700002500440700002400465700001800489700002500507700002500532700002100557700002700578700001700605700002500622700002100647700002000668700001800688700001800706700001900724700002200743700002100765700002300786700001600809700002500825700001900850700001700869700002800886700002200914700002100936700002000957700001500977700001800992700001601010700002301026700002401049700002001073700002501093700002601118700002301144700001901167700002201186700002301208700002101231700002701252856010401279 2012 eng d a1528-748300aPolymorphs, salts and cocrystals: what's in a name? (vol 12, pg 2147, 2012)0 aPolymorphs salts and cocrystals whats in a name vol 12 pg 2147 2 a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcAUG a4290-42910 v121 aAitipamula, Srinivasulu1 aBanerjee, Rahul1 aBansal, Arvind, K.1 aBiradha, Kumar1 aCheney, Miranda, L.1 aChoudhury, Angshuman, Roy1 aDesiraju, Gautam, R.1 aDikundwar, Amol, G.1 aDubey, Ritesh1 aDuggirala, Nagakiran1 aGhogale, Preetam, P.1 aGhosh, Soumyajit1 aGoswami, Pramod, Kumar1 aGoud, Rajesh1 aJetti, Ram, R. K. R.1 aKarpinski, Piotr1 aKaushik, Poonam1 aKumar, Dinesh1 aKumar, Vineet1 aMoulton, Brian1 aMukherjee, Arijit1 aMukherjee, Gargi1 aMyerson, Allan, S.1 aPuri, Vibha1 aRamanan, Arunachalam1 aRajamannar, T.1 aReddy, Malla1 aRodriguez-Hornedo, Nair1 aRogers, Robin, D.1 aRow, T., N. Guru1 aSanphui, Palash1 aShan, Ning1 aShete, Ganesh1 aSingh, Amit1 aSun, Changquan, C.1 aSwift, Jennifer, A.1 aThaimattam, Ram1 aThakur, Tejender, S.1 aThaper, Rajesh, Kumar1 aThomas, Sajesh, P.1 aTothadi, Srinu1 aVangala, Venu, R.1 aVishweshwar, Peddy1 aWeyna, David, R.1 aZaworotko, Michael, J. uhttps://library.ncl.res.in/content/polymorphs-salts-and-cocrystals-whats-name-vol-12-pg-2147-2012-002224nas a2200193 4500008004100000022001400041245013000055210006900185260007100254300001400325490000700339520143400346100002401780700002301804700002701827700002201854700002601876856012801902 2012 eng d a0888-588500aPreparation of pure methyl esters from corresponding alkali metal salts of carboxylic acids using carbon dioxide and methanol0 aPreparation of pure methyl esters from corresponding alkali meta a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcFEB a1498-15050 v513 a

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

1 aBarve, Prashant, P.1 aKamble, Sanjay, P.1 aJoshi, Jyeshtharaj, B.1 aGupte, Milind, Y.1 aKulkarni, Bhaskar, D. uhttps://library.ncl.res.in/content/preparation-pure-methyl-esters-corresponding-alkali-metal-salts-carboxylic-acids-using-002370nas a2200193 4500008004100000022001400041245022700055210006900282260007100351300001400422490000700436520149300443100002301936700002401959700002701983700001802010700002602028856012202054 2012 eng d a0888-588500aPurification of lactic acid via esterification of lactic acid using a packed column, followed by hydrolysis of methyl lactate using three continuously stirred tank reactors (CSTRs) in series: a continuous pilot plant study0 aPurification of lactic acid via esterification of lactic acid us a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcFEB a1506-15140 v513 a

The world market of lactic acid is growing every year, mainly as a solvent and precursor to poly(lactic acid) (PLA). The cost of renewable biomass-derived PLA will have to compete with other synthetic polymers, if it is to grab a significant and sustainable fraction of the market share. It is thus necessary to have efficient and cost-effective technology for the production of pure-grade lactic acid (LA). In this article, a novel cost-effective, eco-friendly continuous process for the production of high-quality lactic acid at pilot plant scale has been demonstrated. The novelty of this process is that, for the first time, we report and use the concept of inverse reactive distillation for the esterification of crude concentrated LA in a continuous countercurrent packed column mode. This allows us to operate the column at higher temperatures, improving the kinetic rate process and leading to shorter columns. This is followed by the hydrolysis of methyl lactate (MLA) in a series of three continuously stirred tank reactors (CSTRs), where LA itself acts as a catalyst. The LA obtained in the pilot plant process shows 99.81% purity (by weight) on water-free basis and has an optical purity of 99.9%. The pilot scale experimental results pertaining to the autocatalytic esterification of LA and hydrolysis of MLA have been compared and validated, with respect to simulated results. The innovations reported here can make the process economically viable for commercial use.

1 aKamble, Sanjay, P.1 aBarve, Prashant, P.1 aJoshi, Jyeshtharaj, B.1 aRahman, Imran1 aKulkarni, Bhaskar, D. uhttps://library.ncl.res.in/content/purification-lactic-acid-esterification-lactic-acid-using-packed-column-followed-000908nas a2200205 4500008004100000022001400041245021000055210006900265260007600334300000800410490000700418100001800425700001700443700001700460700001900477700003600496700002300532700001900555856012800574 2012 eng d a0008-403400aReply to the ``comments to CFD simulation of stirred tanks: comparison of turbulence models. part I: radial flow impellers and part II: axial flow impellers, multiple impellers and multiphase dispersions''0 aReply to the comments to CFD simulation of stirred tanks compari aCOMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USAbWILEY-BLACKWELLcFEB a3-60 v901 aJoshi, J., B.1 aNere, N., K.1 aRane, C., V.1 aMurthy, B., N.1 aMathpati, Channamallikarjun, S.1 aPatwardhan, A., W.1 aRanade, V., V. uhttps://library.ncl.res.in/content/reply-comments-cfd-simulation-stirred-tanks-comparison-turbulence-models-part-i-radial-001749nas a2200169 4500008004100000245010200041210006900143260000800212300001400220490000700234520111500241100003001356700001601386700002301402700002201425856013201447 2012 eng d00aSize-controlled flow synthesis of gold nanoparticles using a segmented flow microfluidic platform0 aSizecontrolled flow synthesis of gold nanoparticles using a segm cMAY a7007-70130 v283 a

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

1 aCabeza, Victor, Sebastian1 aKuhn, Simon1 aKulkarni, Amol, A.1 aJensen, Klavs, F. uhttps://library.ncl.res.in/content/size-controlled-flow-synthesis-gold-nanoparticles-using-segmented-flow-microfluidic-platform00493nas a2200157 4500008004100000245005600041210005400097260000800151300001000159490000600169100001700175700002000192700001600212700001800228856008900246 2012 eng d00aSmart wireless temperature monitor & control system0 aSmart wireless temperature monitor control system cDEC a56-600 v21 aPatil, Rohit1 aJoshi, Dnyanesh1 aMore, Rahul1 aIyer, Neelima uhttps://library.ncl.res.in/content/smart-wireless-temperature-monitor-control-system01713nas a2200265 4500008004100000022001400041245010500055210006900160260009200229300001400321490000700335520076800342653001601110653001801126653001401144653002301158100001901181700001601200700001901216700002201235700002601257700001901283700001701302856012801319 2012 eng d a1533-488000aSono-chemical synthesis of ZnO nano-particles and their application in hydrogen sulphide gas sensing0 aSonochemical synthesis of ZnO nanoparticles and their applicatio a26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USAbAMER SCIENTIFIC PUBLISHERScMAR a2791-27960 v123 a

Herein we describe synthesis of ZnO nanoparticles by using alkaline solution of ZnX2 (X = NO3, Cl) under ultrasound energy of 20 KHz. The reaction can be completed in about 1-2 hours. As prepared powders were analyzed by XRD measurement to find that the product is hexagonal phase pure ZnO. UV-Visible measurement of aq. solution showed absorption band at similar to 365 nm and photoluminescence (PL) indicated multiple bands in visible region due to deep traps owing to high temperature sintering. The hydrophilicity can be imparted by use of a suitable polyelectrolyte. Freshly prepared samples showed good dispersion in aqueous and alcoholic medium. The thick films derived from the ZnO nano-particles showed excellent sensing for hydrogen sulphide gas.

10aGas-Sensing10aSono-Chemical10asynthesis10aZnO Nano-Particles1 aKhanna, P., K.1 aKate, Kunal1 aDhanabalan, K.1 aBanerjee, Shaibal1 aReji, Nedunnkandathil1 aShinde, S., D.1 aJain, G., H. uhttps://library.ncl.res.in/content/sono-chemical-synthesis-zno-nano-particles-and-their-application-hydrogen-sulphide-gas-002611nas a2200205 4500008004100000022001400041245013600055210006900191260011000260300001600370490000700386520175900393100002202152700001802174700003102192700001402223700002002237700001702257856013102274 2012 eng d a0959-942800aStructure engineering of naphthalene diimides for improved charge carrier mobility: self-assembly by hydrogen bonding, good or bad?0 aStructure engineering of naphthalene diimides for improved charg aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcMAY a15235-152460 v223 a

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

1 aKolhe, Nagesh, B.1 aDevi, Nandini1 aSenanayak, Satyaprasad, P.1 aJancy, B.1 aNarayan, K., S.1 aAsha, S., K. uhttps://library.ncl.res.in/content/structure-engineering-naphthalene-diimides-improved-charge-carrier-mobility-self-assembly-001567nas a2200229 4500008004100000022001400041245016000055210006900215260010600284300001400390490000700404520060700411653001601018653002301034653001701057653003001074653002901104100002901133700002601162700002101188856012801209 2012 eng d a0040-403900aSupported copper triflate as an efficient catalytic system for the synthesis of highly functionalized 2-naphthol Mannich bases under solvent free condition0 aSupported copper triflate as an efficient catalytic system for t aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcAUG a4376-43800 v533 a

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

10aBetti bases10asingle-crystal XRD10aSolvent-free10aSupported copper triflate10aThree-component coupling1 aDindulkar, Someshwar, D.1 aPuranik, Vedavati, G.1 aJeong, Yeon, Tae uhttps://library.ncl.res.in/content/supported-copper-triflate-efficient-catalytic-system-synthesis-highly-functionalized-2-002097nas a2200181 4500008004100000245010100041210006900142260000800211300001400219490000600233520141200239100002501651700002601676700002901702700002201731700003001753856013201783 2012 eng d00aSupramolecular interaction facilitated small molecule films for organic field effect transistors0 aSupramolecular interaction facilitated small molecule films for  cAPR a1641-16460 v33 aMetalloporphyrins and metal free porphyrins have been explored as active materials in field effect transistors. Amorphous forms of these porphyrins are preferred over their crystalline analogue due to the ease of solution processability. To achieve solution processability, a metalloporphyrin was anchored on a vinyl polymer by taking advantage of the supramolecular interaction between the metal and the pyridine moiety of the polymer. Non covalent bonding was preferred because it provides an opportunity to better manipulate the polymer's properties compared to its covalent bonding analogue. The binding between the porphyrin and the polymer was optimised in solution and the supramolecular complex was spun on various substrates to form thin films. The porphyrin was found to be uniformly distributed throughout the polymer films contrary to the existing approaches, wherein small molecule phase segregates in the polymer film. Field effect transistors were fabricated using the porphyrin-polymer complex and the device parameters were measured at atmospheric condition. The devices annealed at 80 degrees C showed hole carrier mobility of 2.0 x 10(-4) cm(2) V-1 s(-1) with charge trapping at the dielectric semiconductor interface. Furthermore, the high carrier mobility observed at low temperature annealing makes this supramolecular complex an attractive candidate to explore in flexible substrates.1 aArulkashmir, Arulraj1 aMahale, Rajashree, Y.1 aDharmapurikar, Satej, S.1 aJangid, Manoj, K.1 aKrishnamoorthy, Kothandam uhttps://library.ncl.res.in/content/supramolecular-interaction-facilitated-small-molecule-films-organic-field-effect-transistors01941nas a2200217 4500008004100000022001400041245005400055210005300109260009900162300001400261490000700275520123500282653001101517653002301528653001401551653000801565100002501573700001901598700001801617856008801635 2012 eng d a0272-884200aSurface characterization of Au-ZnO nanowire films0 aSurface characterization of AuZnO nanowire films aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLANDbELSEVIER SCI LTDcDEC a6665-66700 v383 a

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

10aAu-ZnO10aHighly hydrophilic10aNanowires10aXPS1 aJamali-Sheini, Farid1 aYousefi, Ramin1 aPatil, K., R. uhttps://library.ncl.res.in/content/surface-characterization-au-zno-nanowire-films-001338nas a2200253 4500008004100000022001400041245011100055210006900166260007300235300001200308490000800320520042000328653001500748653002400763653002000787653002300807100002700830700002400857700002100881700002000902700001300922700002200935856012700957 2012 eng d a0168-583X00aSwift heavy ion induced formation of Al/polymer composite layer for low thermal emissivity in the IR range0 aSwift heavy ion induced formation of Alpolymer composite layer f aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcSEP a135-1400 v2873 a

Composites of polymers with aluminium were formed by swift high energy ions of 150 MeV, which are used as low thermal emissivity materials for infrared wavelengths between 8-14 mu m. Emissivity and dielectric constants were studied for these structures. A semi-empirical model has been established to obtain the relation between emissivity and dielectric constant. (C) 2012 Elsevier B.V. All rights reserved.

10acomposites10adielectric constant10aSwift heavy ion10aThermal emissivity1 aBabrekar, Harshada, A.1 aJog, Jyoti, Prakash1 aMathe, Vikas, L.1 aAvasthi, D., K.1 aOjha, S.1 aBhoraskar, S., V. uhttps://library.ncl.res.in/content/swift-heavy-ion-induced-formation-alpolymer-composite-layer-low-thermal-emissivity-ir-001358nas a2200217 4500008004100000022001400041245010700055210006900162260011000231300001200341490000600353520049100359100002200850700002400872700002400896700002400920700002600944700001800970700002400988856012801012 2012 eng d a2040-250300aSynthesis and antifungal activity of 1,5-disubstituted-1,2,3-triazole containing fluconazole analogues0 aSynthesis and antifungal activity of 15disubstituted123triazole  aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcAPR a484-4880 v33 a

Fluconazole based novel mimics containing 1,5-disubstituted 1,2,3-triazoles were synthesized by using Ru catalysed 1,3 dipolar cycloaddition. All the newly synthesized compounds and pure enantiomers were more potent than fluconazole against Candida albicans. Docking of 9A and 9B showed different conformation in the active site of Cyp51 of Candida albicans. The more active compounds 2 and 2A did not exhibit any toxicity up to 3.12 mu g mL(-1) against mammalian cell line L929.

1 aPore, Vandana, S.1 aJagtap, Manisha, A.1 aAgalave, Sandip, G.1 aPandey, Atindra, K.1 aSiddiqi, Mohammad, I.1 aKumar, Vikash1 aShukla, Praveen, K. uhttps://library.ncl.res.in/content/synthesis-and-antifungal-activity-15-disubstituted-123-triazole-containing-fluconazole-002682nas a2200253 4500008004100000022001400041245007200055210006900127260007300196300001200269490000900281520182000290653002302110653001802133653002202151653001802173653000802191653002002199100002902219700002702248700002602275700002102301856010602322 2012 eng d a0022-286000aSynthesis and stereochemistry of highly crowded N-benzylpiperidones0 aSynthesis and stereochemistry of highly crowded Nbenzylpiperidon aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcJAN a158-1670 v10073 a

A series of N-benzylated 3,5-diakyl-2,6-diarylpiperidin-4-ones 4-8 were conveniently synthesized in significant yields of 68-88% by N-benzylation of the corresponding 2,6-diaryl-3,5-dimethylpiperidin-4-ones 1-3 using different benzyl bromides. Initially, the new piperidone 2,6-bis(4-ethoxypheny1)-3,5-dimethylpiperidin-4-one 3 was synthesized by the condensation of 1:1:2 M ratio of 3-pentanone, ammonium acetate and para-ethoxybenzaldehyde in ethanolic medium. All the synthesized new compounds 3-8 were characterized by their analytical and spectral (IR, H-1 and C-13 NMR) interpretations. The stereochemistry of the new piperidone 3 was elucidated as chair conformation with an equatorial orientation of all substituents, suggested by its vicinal couplings from H-1 NMR spectrum. To investigate the impact on piperidone stereochemistry as well as NMR chemical shifts, all the N-benzylated products 4-8 were compared with their corresponding precursors, and as a result, it is clearly established that all the synthesized N-benzyl piperidones exist in the chair conformation with an equatorial orientation of all the substituents at C-2, C-3, C-5, C-6 and N. Contrary to the probability all N-benzylated compounds retain the same conformation and configuration as their precursors, however, a remarkable change on the chemical shifts are observed. For the further unambiguous confirmation of stereochemistry, the 1-benzyl-3,5-dimethyl-2,6-diphenylpiperidin-4-one 4 was examined by single-crystal X-ray diffraction. The compound 4, C26H27NO, crystallized in a P-1 space group under triclinic system with unit cell dimensions a, b, c (angstrom) and alpha, beta, gamma (degrees) of 10.156(2), 11.002(2), 11.348(4) and 116.74(4), 100.81(3), 100.17(3), respectively. (C) 2011 Elsevier B.V. All rights reserved.

10aChair conformation10aConfiguration10acrystal structure10aN-benzylation10aNMR10aPiperidin-4-one1 aDindulkar, Someshwar, D.1 aParthiban, Paramasivam1 aPuranik, Vedavati, G.1 aJeong, Yeon, Tae uhttps://library.ncl.res.in/content/synthesis-and-stereochemistry-highly-crowded-n-benzylpiperidones-001362nas a2200229 4500008004100000022001400041245014900055210006900204260007700273300001400350520043900364653001600803653002300819653002400842653001300866100002100879700002400900700003500924700002200959700002400981856012701005 2012 eng d a1434-193X00aSynthesis and structural characterization of homochiral homo-oligomers of cis-gamma-methoxy-substituted cis- and trans-furanoid-beta-amino acids0 aSynthesis and structural characterization of homochiral homoolig aBOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANYbWILEY-V C H VERLAG GMBHcMAY a2656-26633 a

Herein we describe the synthesis of cis-/trans-3-aminotetrahydrofuran-2-carboxylic acids (cis-/trans-FAA) having a ?-methoxy group cis to the amine. The homo-oligomers of these two diastereomeric FAAs have been prepared. Preliminary investigation of their solution secondary structures revealed that they are the same as the homo-oligomers of the parent cis-/trans-FAA with the methoxy group only being a spectator substituent.

10aAmino acids10ahelical structures10aOxygen heterocycles10aPeptides1 aGiri, Awadut, G.1 aJogdand, Ganesh, F.1 aRajamohanan, Pattuparampil, R.1 aPandey, Sunil, K.1 aRamana, Chepuri, V. uhttps://library.ncl.res.in/content/synthesis-and-structural-characterization-homochiral-homo-oligomers-cis-gamma-methoxy-002225nas a2200169 4500008004100000022001400041245013300055210006900188260007100257300001600328490000800344520150700352100002301859700002501882700001901907856012901926 2012 eng d a1520-610600aTemperature-dependent spectroscopic evidences of curcumin in aqueous medium: a mechanistic study of its solubility and stability0 aTemperaturedependent spectroscopic evidences of curcumin in aque a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcDEC a14533-145400 v1163 a

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

1 aJagannathan, Ramya1 aAbraham, Priya, Mary1 aPoddar, Pankaj uhttps://library.ncl.res.in/content/temperature-dependent-spectroscopic-evidences-curcumin-aqueous-medium-mechanistic-study-001331nas a2200181 4500008004100000022001400041245009100055210006900146260007300215300001000288490000800298520064600306100002200952700002000974700001700994700001801011856012001029 2012 eng d a0009-261400aThermal expansion properties of stannosilicate molecular sieve with MFI type structure0 aThermal expansion properties of stannosilicate molecular sieve w aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcOCT a51-540 v5483 a

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

1 aNiphadkar, P., S.1 aBhange, Deu, S.1 aSelvaraj, K.1 aJoshi, P., N. uhttps://library.ncl.res.in/content/thermal-expansion-properties-stannosilicate-molecular-sieve-mfi-type-structure-001686nas a2200325 4500008004100000022001400041245008800055210006900143260007700212300001400289490000600303520057400309653002800883653001600911653001400927653002200941653002400963100002000987700002201007700002401029700002101053700003101074700001501105700002001120700003101140700002801171700002301199700002201222856011601244 2012 eng d a1864-563100aTransesterification of diethyl oxalate with phenol over sol-gel MoO3/TiO2 catalysts0 aTransesterification of diethyl oxalate with phenol over solgel M aBOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANYbWILEY-V C H VERLAG GMBHcJUL a1467-14730 v53 a

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

10aheterogeneous catalysis10aLewis acids10aOxidation10asol-gel processes10atransesterification1 aKotbagi, Trupti1 aNguyen, Duy, Luan1 aLancelot, Christine1 aLamonier, Carole1 aThavornprasert, Kaew-Arpha1 aWenli, Zhu1 aCapron, Mickael1 aJalowiecki-Duhamel, Louise1 aUmbarkar, Shubhangi, B.1 aDongare, Mohan, K.1 aDumeignil, Franck uhttps://library.ncl.res.in/content/transesterification-diethyl-oxalate-phenol-over-sol-gel-moo3tio2-catalysts-000987nas a2200265 4500008004100000022001400041245013600055210006900191260007600260300001400336490000700350653001400357653001900371653002000390653001500410653000800425100001800433700003100451700002400482700002100506700002500527700002300552700001800575856012800593 2012 eng d a1433-785100aTuberculosis drug streptomycin as a potential cancer therapeutic: inhibition of miR-21 function by directly targeting its precursor0 aTuberculosis drug streptomycin as a potential cancer therapeutic aCOMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USAbWILEY-BLACKWELLcDEC a1019-10230 v5110aApoptosis10adrug discovery10aGene expression10ainhibitors10aRNA1 aBose, Debojit1 aJayaraj, Gopal, Gunanathan1 aSuryawanshi, Hemant1 aAgarwala, Prachi1 aPore, Subrata, Kumar1 aBanerjee, Rajkumar1 aMaiti, Souvik uhttps://library.ncl.res.in/content/tuberculosis-drug-streptomycin-potential-cancer-therapeutic-inhibition-mir-21-function-001315nas a2200181 4500008004100000022001400041245014600055210006900201260007100270300001200341490000700353520057100360100001600931700001900947700001900966700001900985856012901004 2012 eng d a1523-706000aVisible light photoredox catalysis: generation and addition of N-aryltetrahydroisoquinoline-derived alpha-amino radicals to michael acceptors0 aVisible light photoredox catalysis generation and addition of Na a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcFEB a672-6750 v143 a

The photoredox-catalyzed coupling of N-aryltetrahydroisoquinoline and Michael acceptors was achieved using Ru(bpy)(3)Cl-2 or [Ir(ppy)(2)-(dtb-bpy)]PF6 in combination with irradiation at 455 nm generated by a blue LED, demonstrating the trapping of visible light generated alpha-amino radicals. While intermolecular reactions lead to products formed by a conjugate addition, in intramolecular variants further dehydrogenation occurs, leading directly to 5,6-dihydroindolo[2,1-a]tetrahydroisoquinolines, which are relevant as potential immunosuppressive agents.

1 aKohls, Paul1 aJadhav, Deepak1 aPandey, Ganesh1 aReiser, Oliver uhttps://library.ncl.res.in/content/visible-light-photoredox-catalysis-generation-and-addition-n-aryltetrahydroisoquinoline-002032nas a2200181 4500008004100000022001400041245013500055210006900190260009100259300001100350490000600361520125800367100002801625700002301653700002001676700002501696856012901721 2013 eng d a1932-620300aAlterations in the helicoverpa armigera midgut digestive physiology after ingestion of pigeon pea inducible leucine aminopeptidase0 aAlterations in the helicoverpa armigera midgut digestive physiol a1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USAbPUBLIC LIBRARY SCIENCEcSEP ae748890 v83 a

Jasmonate inducible plant leucine aminopeptidase (LAP) is proposed to serve as direct defense in the insect midgut. However, exact functions of inducible plant LAPs in the insect midgut remain to be estimated. In the present investigation, we report the direct defensive role of pigeon pea inducible LAP in the midgut of Helicoverpa armigera (Lepidoptera: Noctuidae) and responses of midgut soluble aminopeptidases and serine proteinases upon LAP ingestion. Larval growth and survival was significantly reduced on the diets supplemented with pigeon pea LAP. Aminopeptidase activities in larvae remain unaltered in presence or absence of inducible LAP in the diet. On the contrary, serine proteinase activities were significantly decreased in the larvae reared on pigeon pea LAP containing diet as compared to larvae fed on diet without LAP. Our data suggest that pigeon pea inducible LAP is responsible for the degradation of midgut serine proteinases upon ingestion. Reduction in the aminopeptidase activity with LpNA in the H. armigera larvae was compensated with an induction of aminopeptidase activity with ApNA. Our findings could be helpful to further dissect the roles of plant inducible LAPs in the direct plant defense against herbivory.

1 aLomate, Purushottam, R.1 aJadhav, Bhakti, R.1 aGiri, Ashok, P.1 aHivrale, Vandana, K. uhttps://library.ncl.res.in/content/alterations-helicoverpa-armigera-midgut-digestive-physiology-after-ingestion-pigeon-pea-001219nas a2200193 4500008004100000022001400041245006400055210006400119260007100183300001400254490000700268520054200275100002500817700002100842700002600863700001900889700002100908856009600929 2013 eng d a0163-386400aAntimycobacterial labdane diterpenes from leucas stelligera0 aAntimycobacterial labdane diterpenes from leucas stelligera a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcOCT a1836-18410 v763 a

Phytochemical investigation of the acetone extract of the aerial parts of Leucas stelligera afforded four new compounds (1-4) belonging to the labdane diterpene series as well as two known flavones, velutin (5) and chrysoeriol (6). Structure elucidation of the new compounds was carried out using ID and 2D NMR spectroscopic data and single-crystal X-ray crystallography of compound 1. Compounds 1-4 exhibited selective antimycobacterial activity against Mycobacterium tuberculosis with IC50 values in the range 5.02-9.80 mu g/mL.

1 aKulkarni, Roshan, R.1 aShurpali, Ketaki1 aPuranik, Vedavati, G.1 aSarkar, Dhiman1 aJoshi, Swati, P. uhttps://library.ncl.res.in/content/antimycobacterial-labdane-diterpenes-leucas-stelligera-001552nas a2200217 4500008004100000245008600041210006900127260000800196300002700204490000800231520080500239100001901044700002301063700002401086700002101110700002401131700002101155700002401176700002101200856011301221 2013 eng d00aBand-like transport in high mobility unencapsulated single-layer MoS2 transistors0 aBandlike transport in high mobility unencapsulated singlelayer M cAPR aArticle Number: 1731070 v1023 aUltra-thin MoS2 has recently emerged as a promising two-dimensional semiconductor for electronic and optoelectronic applications. Here, we report high mobility (>60 cm(2)/Vs at room temperature) field-effect transistors that employ unencapsulated single-layer MoS2 on oxidized Si wafers with a low level of extrinsic contamination. While charge transport in the sub-threshold regime is consistent with a variable range hopping model, monotonically decreasing field-effect mobility with increasing temperature suggests band-like transport in the linear regime. At temperatures below 100 K, temperature-independent mobility is limited by Coulomb scattering, whereas, at temperatures above 100 K, phonon-limited mobility decreases as a power law with increasing temperature. (C) 2013 AIP Publishing LLC.1 aJariwala, Deep1 aSangwan, Vinod, K.1 aLate, Dattatray, J.1 aJohns, James, E.1 aDravid, Vinayak, P.1 aMarks, Tobin, J.1 aLauhon, Lincoln, J.1 aHersam, Mark, C. uhttps://library.ncl.res.in/content/band-transport-high-mobility-unencapsulated-single-layer-mos2-transistors01329nas a2200157 4500008004100000022001400041245009100055210006900146260010600215300001400321490000700335520065500342100002500997700002801022856012101050 2013 eng d a0957-416600aBase-catalyzed mukaiyama-type aldol additions, a continued quest for stereoselectivity0 aBasecatalyzed mukaiyamatype aldol additions a continued quest fo aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcNOV a1345-13630 v243 a

Base-catalyzed reactions of silyl enolates with carbonyl compounds are an attractive variant of conventional directed aldol reactions. Over the past two decades, the reaction has gained prominence due to its inherent advantage for stereoselective manipulations. The present review provides a brief account of developments in this area. Various approaches are grouped together in order to provide the salient features of each conceptual development. It appears that the methods which generate nascent chiral enolates or cationic siliconium species have the biggest influence on the stereoselectivity. (C) 2013 Elsevier Ltd. All rights reserved.

1 aSutar, Revannath, L.1 aJoshi, Navalkishore, N. uhttps://library.ncl.res.in/content/base-catalyzed-mukaiyama-type-aldol-additions-continued-quest-stereoselectivity-002291nas a2200361 4500008004100000022001400041245011000055210006900165260007300234300001000307490000800317520103700325653002401362653004201386653002401428653002001452100003101472700001901503700002401522700002501546700002201571700001501593700002201608700001701630700001801647700001901665700002201684700001901706700002501725700002901750700001901779856013101798 2013 eng d a0301-010400aBasic structural motif and major biophysical properties of Amyloid-beta are encoded in the fragment 18-350 aBasic structural motif and major biophysical properties of Amylo aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcAUG a80-870 v4223 a

Aggregation and misfolding of the amyloid beta (A beta) peptide is thought to initiate Alzheimer's disease (AD). Here we study the role played by its central segment (A beta(18-35)) in determining these properties. A beta(18-35) has a solubility of 18 mu M. The soluble fraction consists mainly of small oligomers, which have mixed beta-sheet and random coil structures. The monomer is mostly a random coil with some residual compactness. Aggregated A beta(18-35) forms fibrils of width 3.0 +/- 0.7 nm, which is consistent with a hairpin shape. Each of these properties has a close similarity to A beta(40). Remarkably, solid state NMR indicates that the fibrils also retain the secondary structure and tertiary contacts of A beta(40). This is the shortest fragment of A beta reported so far which preserves its fibrillar architecture, including the hairpin turn, as well as its solution phase conformational properties. Residues 18-35 should therefore be a key target of AD therapeutics. (C) 2013 Published by Elsevier B. V.

10aAlzheimer's disease10aFluorescence correlation spectroscopy10aProtein aggregation10aSolid-state NMR1 aChandrakesan, Muralidharan1 aSarkar, Bidyut1 aMithu, Venus, Singh1 aAbhyankar, Rajiv, M.1 aBhowmik, Debanjan1 aNag, Suman1 aSahoo, Bankanidhi1 aShah, Riddhi1 aGurav, Sushma1 aBanerjee, Raja1 aDandekar, Sucheta1 aJose, Jaya, C.1 aSengupta, Neelanjana1 aMadhu, Perunthiruthy, K.1 aMaiti, Sudipta uhttps://library.ncl.res.in/content/basic-structural-motif-and-major-biophysical-properties-amyloid-beta-are-encoded-fragment-002552nas a2200289 4500008004100000022001400041245018000055210006900235260007400304300001000378490000800388520141500396653002101811653002801832653004001860653002101900653003201921653002401953653003801977100001802015700001902033700002002052700001702072700002102089700002602110856012602136 2013 eng d a0003-607200aBiochemical correlate of dimorphism in a zygomycete benjaminiella poitrasii: characterization of purified NAD-dependent glutamate dehydrogenase, a target for antifungal agents0 aBiochemical correlate of dimorphism in a zygomycete benjaminiell aVAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDSbSPRINGERcJUL a25-360 v1043 a

The fungal organisms, especially pathogens, change their vegetative (Y, unicellular yeast and H, hypha) morphology reversibly for survival and proliferation in the host environment. NAD-dependent glutamate dehydrogenase (NAD-GDH, EC 1.4.1.2) from a non-pathogenic dimorphic zygomycete Benjaminiella poitrasii was previously reported to be an important biochemical correlate of the transition process. The enzyme was purified to homogeneity and characterized. It is a 371 kDa native molecular weight protein made up of four identical subunits. Kinetic studies showed that unlike other NAD-GDHs, it may act as an anabolic enzyme and has more affinity towards 2-oxoglutarate than l-glutamate. Chemical modifications revealed the involvement of single histidine and lysine residues in the catalytic activity of the enzyme. The phosphorylation and dephosphorylation study showed that the NAD-GDH is present in active phosphorylated form in hyphal cells of B. poitrasii. Two of the 1,2,3 triazole linked beta-lactam-bile acid conjugates synthesized in the laboratory (B18, B20) were found to be potent inhibitors of purified NAD-GDH which also significantly affected Y-H transition in B. poitrasii. Furthermore, the compound B20 inhibited germ tube formation during Y-H transition in Candida albicans strains and Yarrowia lipolytica. The possible use of NAD-GDH as a target for antifungal agents is discussed.

10aAntifungal agent10aBenjaminiella poitrasii10aBiochemical correlate of dimorphism10aCandida albicans10aNAD-GDH activity regulation10aYarrowia lipolytica10aYeast-hypha reversible transition1 aJoshi, C., V.1 aPathan, E., K.1 aPunekar, N., S.1 aTupe, S., G.1 aKapadnis, B., P.1 aDeshpande, Mukund, V. uhttps://library.ncl.res.in/content/biochemical-correlate-dimorphism-zygomycete-benjaminiella-poitrasii-characterization-001829nas a2200145 4500008004100000022001400041245009200055210006900147260010400216300001100320520118700331100002601518700002101544856011801565 2013 eng d a2314-613300aBiosurfactant-sophorolipid acts in synergy with antibiotics to enhance their efficiency0 aBiosurfactantsophorolipid acts in synergy with antibiotics to en a410 PARK AVENUE, 15TH FLOOR, \#287 PMB, NEW YORK, NY 10022 USAbHINDAWI PUBLISHING CORPORATIONcAPR a5124953 a

Sophorolipids (SLs), biosurfactants with antimicrobial properties, have been tried to address the problem of antibiotic resistance. The synergistic action of SL and antibiotics was checked using standard microdilution and spread plate methods. With Staphylococcus aureus, SL-tetracycline combination achieved total inhibition before 4 h of exposure while tetracycline alone couldnot achieve total inhibition till the end of 6 h. The inhibition caused by exposure of bacterium to SL-tetracycline mixture was similar to 25% more as compared to SL alone. In spite of known robustness of gram-negative bacteria, SL-cefaclor mixture proved to be efficient against Escherichia coli which showed similar to 48% more inhibition within 2 h of exposure as compared to cefaclor alone. Scanning electron microscopy of the cells treated with mixture revealed bacterial cell membrane damage and pore formation. Moreover, SLs being a type of asymmetric bola, they are expected to form self-assemblies with unique functionality. This led to the speculation that SLs being amphiphilic in nature can span through the structurally alike cell membrane and facilitate the entry of drug molecules.

1 aJoshi-Navare, Kasturi1 aPrabhune, Asmita uhttps://library.ncl.res.in/content/biosurfactant-sophorolipid-acts-synergy-antibiotics-enhance-their-efficiency-001669nas a2200253 4500008004100000022001400041245009500055210006900150260007300219300001200292490000800304520069300312653004101005653003501046653003001081653003701111653002201148653003701170100001801207700001801225700001801243700002501261856012901286 2013 eng d a0169-433200aBulk and surface structure characterization of nanoscopic silver doped lanthanum chromites0 aBulk and surface structure characterization of nanoscopic silver aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcJAN a574-5800 v2643 a

Crystalline state of lanthanum chromites with silver as a dopant has been studied by X-ray diffraction and transmission electron microscopy reveals microscopic properties of grain boundaries. X-ray photoelectron spectroscopy has been used to analyze surface states with atomic ratio of La, Cr, O and Ag as a dopant. LaCrO3 shows mixed valence states of chromium while the silver doped samples exhibit differences in chromium concentration with the oxidation of Cr3+ to Cr6+ in presence of chromium nitrate as a precursor salt. Trivalent stable state of chromium is observed for samples synthesized by chromic acetate as a precursor salt. (C) 2012 Elsevier B.V. All rights reserved.

10aEnergy dispersive analysis of X-rays10aMicrowave combustion synthesis10aPerovskite nanostructures10atransmission electron microscopy10aX-ray diffraction10aX-ray photoelectron spectroscopy1 aDesai, P., A.1 aJoshi, P., N.1 aPatil, K., R.1 aAthawale, Anjali, A. uhttps://library.ncl.res.in/content/bulk-and-surface-structure-characterization-nanoscopic-silver-doped-lanthanum-chromites-002293nas a2200289 4500008004100000022001400041245020500055210006900260260009900329300001200428490000800440520112200448653001801570653005801588653001701646653003001663653001601693100002001709700002201729700001801751700002001769700001701789700002501806700002401831700001801855856013001873 2013 eng d a0960-852400aCarrier free co-immobilization of alpha amylase, glucoamylase and pullulanase as combined cross-linked enzyme aggregates (combi-CLEAs): a tri-enzyme biocatalyst with one pot starch hydrolytic activity0 aCarrier free coimmobilization of alpha amylase glucoamylase and  aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLANDbELSEVIER SCI LTDcNOV a269-2750 v1473 a

A tri-enzyme biocatalyst ``combi-CLEAs'' with starch hydrolytic activity was prepared from commercially available alpha amylase, glucoamylase and pullulanase preparations by aggregating enzymes with ammonium sulphate followed by cross-linking formed aggregates for 4.5 h with 40 mM glutaraldehyde. The effects of precipitant type and cross-linking were studied and the biocatalyst was characterized. Scanning electron microscopy analysis showed that tri-enzyme biocatalyst was of spherical structure. For one pot starch hydrolytic activity, shift in optimum pH from 6 to 7 and temperature from 65 to 75 degrees C were observed after co-immobilization of enzymes. After one pot starch hydrolysis reaction in batch mode, 100%, 60% and 40% conversions were obtained with combi-CLEAs, separate CLEAs mixture and free enzyme mixture, respectively. Co-immobilization also enhanced the thermal stability of enzymes. Finally, the catalytic activity of enzymes in combi-CLEAs during one pot starch hydrolysis was well maintained up to five cycles without performance changes. (C) 2013 Elsevier Ltd. All rights reserved.

10aAlpha amylase10aCombined cross-linked enzyme aggregates (combi-CLEAs)10aGlucoamylase10aOne pot starch hydrolysis10aPullulanase1 aTalekar, Sachin1 aPandharbale, Amol1 aLadole, Mayur1 aNadar, Shamraja1 aMulla, Mosin1 aJaphalekar, Kshitija1 aPattankude, Kishori1 aArage, Devika uhttps://library.ncl.res.in/content/carrier-free-co-immobilization-alpha-amylase-glucoamylase-and-pullulanase-combined-cross-002723nas a2200277 4500008004100000022001400041245016200055210006900217260007300286300001000359490000800369520166100377653002402038653003202062653001902094653002102113653001902134100002902153700002202182700002802204700002502232700002602257700002102283700002202304856011902326 2013 eng d a0926-860X00aCatalytic upgrading of renewable levulinic acid to ethyl levulinate biodiesel using dodecatungstophosphoric acid supported on desilicated H-ZSM-5 as catalyst0 aCatalytic upgrading of renewable levulinic acid to ethyl levulin aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcJUN a90-980 v4603 a

Levulinic acid (LA) is considered as a renewable platform chemical and can be used for the synthesis of variety of important fuels and chemicals. In particular, its esterification with ethanol produces ethyl levulinate (EL) would be green process, as it can be used as diesel miscible biofuel (DMB), preventing global warming by decreasing atmospheric CO2. This study explores the use of modified H-ZSM-5 by desilication viz.; DH-ZSM-5 and dodecatungstophosphoric acid (DTPA) loaded on DH-ZSM-5 for esterification of LA with ethanol aiming to EL. Different degree of desilication of H-ZSM-5 was performed by using aq. NaOH (0.2-1.5 M) at 338 K for 30 min and then DTPA was loaded on these desilicated H-ZSM-5 (DH-ZSM-5) support. H-ZSM-5, DH-ZSM-5 and DTPA on these DH-ZSM-5 samples were characterized by powder x-ray diffraction (XRD), N-2 adsorption-desorption, pyridine chemisorbed IR spectroscopy, Temperature Programmed Ammonia Desorption (TPAD). The increase in conversion of levulinic acid was observed from 28% to 94% with increase of DTPA loading from 0% to 15%. The increased LA conversion may be due to increase in total acidity from 43.14% to 84.31%. The use of DH-ZSM-5 as support for deposition of DTPA may be reported for the first time. The present work also extended to optimize process parameters such as DTPA loading on DH-ZSM-5, catalyst to LA ratio, LA to ethanol molar ratio, speed of agitation, particle size reaction temperature and catalyst reusability. Kinetic study based on pseudo-homogeneous (P-H) model is also presented. The experimental results follow second order kinetics. (C) 2013 Elsevier B.V. All rights reserved.

10adesilicated H-ZSM-510aDTPA on desilicated H-ZSM-510aEsterification10aethyl levulinate10alevulinic acid1 aNandiwale, Kakasaheb, Y.1 aSonar, Shilpa, K.1 aNiphadkar, Prashant, S.1 aJoshi, Praphulla, N.1 aDeshpande, Shilpa, S.1 aPatil, Vilas, S.1 aBokade, Vijay, V. uhttps://library.ncl.res.in/content/catalytic-upgrading-renewable-levulinic-acid-ethyl-levulinate-biodiesel-using-001970nas a2200181 4500008004100000022001400041245013000055210006900185260011000254300001600364490000600380520119400386100001701580700001901597700001901616700002101635856013201656 2013 eng d a2046-206900aChemically conjugated sophorolipids on CdTe QDs: a biocompatible photoluminescence nanocomposite for theranostic applications0 aChemically conjugated sophorolipids on CdTe QDs a biocompatible  aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcSEP a22319-223250 v33 a

Functional nontoxic cadmium telluride (CdTe) quantum dots (QDs) have been synthesized using a natural functional glycolipid belonging to the family of sophorolipids (SL) as a surface-modifying agent. These SLs with open acidic form are highly suitable for QDs stabilization, are readily obtained by a fermentation process of the yeast Candida bombicola (polymorph Starmerella bombicola) in large amounts. In this work chemically stable, water soluble, and photoluminescent CdTe QDs were successfully conjugated to sophorolipids via a cross-linking reaction. The formation of SLs conjugated CdTe QDs was confirmed using different analytical techniques X-ray Diffraction (XRD), Fourier Transform Infrared Spectroscopy (FTIR), Transmission Electron Microscopy (TEM), Electron Diffraction (ED), Atomic Force Microscopy (AFM), Dynamic Light Scattering (DLS), and Photoluminescence (PL). It was shown that after being conjugated with SL the SL-CdTe QDs becomes biocompatible, still maintaining its water solubility and photoluminescence properties. The final SL coated photoluminescent CdTe QDs represent interesting biocompatible materials potentially useful for biomedical applications.

1 aSingh, Pooja1 aJoshi, Kasturi1 aGuin, Debanjan1 aPrabhune, Asmita uhttps://library.ncl.res.in/content/chemically-conjugated-sophorolipids-cdte-qds-biocompatible-photoluminescence-nanocomposite-001610nas a2200205 4500008004100000022001400041245012600055210006900181260010700250300001400357490000700371520077400378653002301152653001801175653001701193653001501210100002801225700002201253856012901275 2013 eng d a0970-707700aCinnamic acid derivatives via heck reaction in an aqueous-biphasic catalytic system with easy catalyst-product separation0 aCinnamic acid derivatives via heck reaction in an aqueousbiphasi a11/100 RAJENDRA NAGAR, SECTOR 3,, SAHIBABAD 201 005, GHAZIABAD, INDIAbASIAN JOURNAL OF CHEMISTRYcNOV a8633-86370 v253 a

A true biphasic [aqueous-organic] system for the coupling of water soluble sodium acrylate with different aryl halides for the synthesis of cinnamic acid derivatives has been developed, employing palladium catalysts that is soluble in organic phase. Amongst them, palladacycle was found to be stable in presence of water and could be recycled for four times with no loss in the activity. Such a system facilitates easy recycle of catalyst and also the removal of the salts from the catalyst phase, ensuring high activity with respect to cumulative turn over number (TON) and turn over frequency (TOF). The reaction was facilitated by organic as well as inorganic bases. The efficiency of the catalyst, role of organic/inorganic bases on the activity is reported.

10aBiphasic catalysis10aHeck reaction10aPalladacycle10aSeparation1 aJagtap, Sangeeta, Vijay1 aDeshpande, R., M. uhttps://library.ncl.res.in/content/cinnamic-acid-derivatives-heck-reaction-aqueous-biphasic-catalytic-system-easy-catalyst-002516nas a2200265 4500008004100000022001400041245012500055210006900180260007300249300001400322490000900336520153000345653001901875653002101894653003601915653001301951653002301964653003201987100002202019700001902041700001902060700002102079700002002100856013002120 2013 eng d a0304-416500aComplementation of intramolecular interactions for structural-functional stability of plant serine proteinase inhibitors0 aComplementation of intramolecular interactions for structuralfun aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcNOV a5087-50940 v18303 a

Background: Plant protease inhibitors (PIs) constitute a diverse group of proteins capable of inhibiting proteases. Among Pls, serine Pls (SPIs) display stability and conformational restrictions of the reactive site loop by virtue of their compact size, and by the presence of disulfide bonds, hydrogen bonds, and other weak interactions. Scope of review: The significance of various intramolecular interactions contributing to protein folding mechanism and their role in overall stability and activity of SPIs is discussed here. Furthermore, we have reviewed the effect of variation or manipulation of these interactions on the activity/stability of SPIs. Major conclusions: The selective gain or loss of disulfide bond(s) in SPIs can be associated with their functional differentiation, which is likely to be compensated by non-covalent interactions (hydrogen bonding or electrostatic interactions). Thus, these intramolecular interactions are collectively responsible for the functional activity of SPIs, through the maintenance of scaffold framework, conformational rigidity and shape complementarities of reactive site loop. General significance: Structural insight of these interactions will provide an in-depth understanding of kinetic and thermodynamic parameters involved in the folding and stability mechanisms of SPIs. These features can be explored for engineering canonical SPIs for optimizing their overall stability and functionality for various applications. (C) 2013 Elsevier B.V. All rights reserved.

10aDisulfide bond10ahydrogen bonding10aIntramolecular weak interaction10aProtease10aReactive site loop10aSerine proteinase inhibitor1 aJoshi, Rakesh, S.1 aMishra, Manasi1 aSuresh, C., G.1 aGupta, Vidya, S.1 aGiri, Ashok, P. uhttps://library.ncl.res.in/content/complementation-intramolecular-interactions-structural-functional-stability-plant-serine-001742nas a2200241 4500008004100000022001400041245013100055210006900186260012500255300001100380490000800391520077200399100002101171700001501192700001901207700002101226700002201247700001801269700002501287700002501312700003301337856013001370 2013 eng d a0003-695100aContact potential induced enhancement of magnetization in polyaniline coated nanomagnetic iron oxides by plasma polymerization0 aContact potential induced enhancement of magnetization in polyan aCIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USAbAMER INST PHYSICScOCT a1624140 v1033 a

The present work derives motivation from the so called surface/interfacial magnetism in core shell structures and commercial samples of Fe3O4 and gamma Fe2O3 with sizes ranging from 20 to 30 nm were coated with polyaniline using plasma polymerization and studied. The High Resolution Transmission Electron Microscopy images indicate a core shell structure after polyaniline coating and exhibited an increase in saturation magnetization by 2 emu/g. For confirmation, plasma polymerization was performed on maghemite nanoparticles which also exhibited an increase in saturation magnetization. This enhanced magnetization is rather surprising and the reason is found to be an interfacial phenomenon resulting from a contact potential. (C) 2013 AIP Publishing LLC.

1 aSethulakshmi, N.1 aSooraj, V.1 aSajeev, U., S.1 aNair, Swapna, S.1 aNarayanan, T., N.1 aJoy, Lija, K.1 aJoy, Pattayil, Alias1 aAjayan, Pulickel, M.1 aAnantharaman, Maliemadom, R. uhttps://library.ncl.res.in/content/contact-potential-induced-enhancement-magnetization-polyaniline-coated-nanomagnetic-iron-001656nas a2200181 4500008004100000022001400041245009200055210006900147260007100216300001400287490000700301520095700308100002101265700002201286700002201308700002201330856012201352 2013 eng d a1083-616000aContinuous flow multipoint dosing approach for selectivity engineering in sulfoxidation0 aContinuous flow multipoint dosing approach for selectivity engin a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcOCT a1293-12990 v173 a

A continuous synthesis approach with multipoint dosing of one of the reagents is demonstrated for the synthesis of sulfoxide compounds such as proton pump inhibitors. Use of multipoint dosing of the oxidizing agent helped to minimize the possibility of over-oxidation leading to sulfone. Different oxidizing agents were used, and the effect of various parameters (viz. mole ratio of sulfide to oxidizing agent, temperature, residence time, concentration of oxidizing agent, etc.) on the yield of the desired sulfoxide compound was studied. Single-point and multipoint dosing approaches of the oxidizing agent were used for the most promising set of parameters. The performance was compared in terms of conversion of sulfide and the selectivity of the desired sulfoxide. Numbering up approach was used to produce the sulfoxide in a relatively large quantity at laboratory scale with complete conversion and over 99% selectivity for the sulfoxide.

1 aKulkarni, A., A.1 aNivangune, N., T.1 aJoshi, Rohini, R.1 aJoshi, Ramesh, A. uhttps://library.ncl.res.in/content/continuous-flow-multipoint-dosing-approach-selectivity-engineering-sulfoxidation-001973nas a2200181 4500008004100000022001400041245015400055210006900209260012500278300001100403490000800414520116400422100001601586700002101602700002001623700001801643856013001661 2013 eng d a0021-960600aCorrelation between the variation in observed melting temperatures and structural motifs of the global minima of gallium clusters: an ab initio study0 aCorrelation between the variation in observed melting temperatur aCIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USAbAMER INST PHYSICScJAN a0143030 v1383 a

We have investigated the correlation between the variation in the melting temperature and the growth pattern of small positively charged gallium clusters. Significant shift in the melting temperatures was observed for a change of only few atoms in the size of the cluster. Clusters with size between 31-42 atoms melt between 500-600 K whereas those with 46-48 atoms melt around 800 K. Density functional theory based first principles simulations have been carried out on Ga-n(+) clusters with n = 31, ... , 48. At least 150 geometry optimizations have been performed towards the search for the global minima for each size resulting in about 3000 geometry optimizations. For gallium clusters in this size range, the emergence of spherical structures as the ground state leads to higher melting temperature. The well-separated core and surface shells in these clusters delay isomerization, which results in the enhanced stability of these clusters at elevated temperatures. The observed variation in the melting temperature of these clusters therefore has a structural origin. (C) 2013 American Institute of Physics. [http://dx.doi.org/10.1063/1.4772470]

1 aSusan, Anju1 aKibey, Aniruddha1 aKaware, Vaibhav1 aJoshi, Kavita uhttps://library.ncl.res.in/content/correlation-between-variation-observed-melting-temperatures-and-structural-motifs-global-002195nas a2200277 4500008004100000022001400041245011700055210006900172260010600241300001400347490000700361520119800368653001501566653001901581653001201600653001401612653001201626100002201638700001901660700002401679700002201703700001801725700002301743700002801766856012301794 2013 eng d a0960-894X00aCorrelation of hydrogen-bonding propensity and anticancer profile of tetrazole-tethered combretastatin analogues0 aCorrelation of hydrogenbonding propensity and anticancer profile aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcAUG a4680-46840 v233 a

A series of 1,5-disubstituted tetrazole-tethered combretastatin analogues with extended hydrogen-bond donors at the ortho-positions of the aryl A and B rings were developed and evaluated for their antitubulin and antiproliferative activity. We wanted to test whether intramolecular hydrogen-bonding used as a conformational locking element in these analogues would improve their activity. The correlation of crystal structures with the antitubulin and antiproliferative profiles of the modified analogues suggested that hydrogen-bond-mediated conformational control of the A ring is deleterious to the bioactivity. In contrast, although there was no clear evidence that intramolecular hydrogen bonding to the B ring enhanced activity, we found that increased substitution on the B ring had a positive effect on antitubulin and antiproliferative activity. Among the various analogues synthesized, compounds 5d and 5e, having hydrogen-bonding donor groups at the ortho and meta-positions on the 4-methoxy phenyl B ring, are strong inhibitors of tubulin polymerization and antiproliferative agents having IC50 value in micromolar concentrations. (C) 2013 Elsevier Ltd. All rights reserved.

10aColchicine10aCombretastatin10aCrystal10aTetrazole10aTubulin1 aJedhe, Ganesh, S.1 aPaul, Debasish1 aGonnade, Rajesh, G.1 aSantra, Manas, K.1 aHamel, Ernest1 aNguyen, Tam, Luong1 aSanjayan, Gangadhar, J. uhttps://library.ncl.res.in/content/correlation-hydrogen-bonding-propensity-and-anticancer-profile-tetrazole-tethered-002204nas a2200169 4500008004100000022001400041245015900055210006900214260011000283300001200393490000700405520142700412100001901839700001901858700002501877856013201902 2013 eng d a1463-907600aCritical roles of key domains in complete adsorption of a beta peptide on single-walled carbon nanotubes: insights with point mutations and MD simulations0 aCritical roles of key domains in complete adsorption of a beta p aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcNOV a837-8440 v153 a

Owing to the influence of nanomaterials on biomacromolecular behavior, their potential applications are rapidly gaining attention. Based on atomistic molecular dynamics simulation studies we have recently reported that the full-length A beta peptide, whose self-assembly is associated with Alzheimer's disease, adsorbs rapidly on single-walled carbon nanotubes, thereby losing its natural propensity to collapse. Here, we investigate the mechanistic overlap between the peptide's compactification and its adsorption, while decoupling the roles of hydrophobicity and aromaticity via point mutations. The collapse mechanism is correlated with interactions between the central hydrophobic core (HP1) and the peptide's C-terminal domain, which are almost exactly compensated by interactions arising from the nanotube after complete adsorption. Adsorption is initiated by HP1 and consolidated by strong interactions arising from the N-terminal domain. Altering the hydrophobicity, but not the aromatic character, of the central residue in HP1 decreases the collapse probability. On the other hand, the adsorption propensity is dramatically reduced when either the hydrophobicity or the aromatic character in HP1 is compromised. The hydrophobicity of HP1 is responsible for dewetting transitions that facilitate its initial interactions with the nanotube, which then lead to very favorable interactions with the nanotube.

1 aJana, Asis, K.1 aJose, Jaya, C.1 aSengupta, Neelanjana uhttps://library.ncl.res.in/content/critical-roles-key-domains-complete-adsorption-beta-peptide-single-walled-carbon-nanotubes-001968nas a2200229 4500008004100000022001400041245019500055210006900250260007900319300001400398490000800412520102600420653002001446653001001466653002101476653003001497653001201527100002201539700002601561700002101587856013001608 2013 eng d a0273-228900aCrystalline xylitol production by a novel yeast, pichia caribbica (HQ222812), and its application for quorum sensing inhibition in gram-negative marker strain chromobacterium violaceum CV0260 aCrystalline xylitol production by a novel yeast pichia caribbica a999 RIVERVIEW DRIVE SUITE 208, TOTOWA, NJ 07512 USAbHUMANA PRESS INCcMAR a1753-17630 v1693 a

Xylitol, a sugar alcohol, is fast gaining ground over other artificial sugar substitutes owing to its advantageous properties. Xylitol is a safer alternative for diabetics because of insulin-independent metabolism. It has beneficial properties suitable to form an important part of odontological formulations. Conventional commercial production of xylitol involves harsh chemical method operating at high temperature and pressure. Thus, microbial production of xylitol is preferred over chemical method, and yeasts have been extensively exploited for this purpose. In the present manuscript, quantitative production of xylitol from d-xylose with the yield of 0.852 gm/gm and volumetric productivity of 1.83 gm/l/h in crystalline form, using novel yeast Pichia caribbica is reported. Also, a mild, safe procedure for product extraction is described. The ability of xylitol to act as a quorum sensing antagonist in gram-negative marker strain Chromobacterium violaceum CV026 has been demonstrated for the first time.

10aCrystallization10aCV02610aPichia caribbica10aQuorum sensing antagonist10axylitol1 aMukherji, Ruchira1 aJoshi-Navare, Kasturi1 aPrabhune, Asmita uhttps://library.ncl.res.in/content/crystalline-xylitol-production-novel-yeast-pichia-caribbica-hq222812-and-its-application-002213nas a2200241 4500008004100000022001400041245010500055210006900160260007300229300001000302490000800312520137700320653002001697653000801717653001301725653001501738653001101753100002201764700002001786700001801806700001801824856012901842 2013 eng d a1387-181100aCrystallization kinetics of Sn-MFI molecular sieve formation by dry gel cross mark conversion method0 aCrystallization kinetics of SnMFI molecular sieve formation by d aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcDEC a73-800 v1823 a

The conversion of amorphous stannosilicate dry gel into crystalline molecular sieve with MFI structure (Sn-MFI) was achieved by dry gel conversion (DGC) method at 413, 443 and 473 K. For comparison purpose, Sn-MFI molecular sieve with similar SiO2/SnO2 mole ratio was also obtained by hydrothermal crystallization route. Crystallization curves were established by conducting time dependant studies on progressive crystallization processes for both the systems. The values of activation energy of nucleation (E-n), activation energy of crystallization (E-c), and their pre-exponential factors (InA(n), InA(c) respectively) were calculated from Arrhenius plots. Compared to the hydrothermal method, shorter induction period was observed when DGC method was employed. Both the E-n (49.70 kJ/mol) and E-c (52.82 kJ/mol) for DGC method were found to be lower than that of the E-n (55.70 kJ/mop and E-c (60.23 kJ/mol) for hydrothermal method. The kinetics parameters viz. K and q were derived from kinetic expressions and DGC method showed higher value of K and lower value of q compared to hydrothermal crystallization method at identical temperature. Various DGC method parameters such as water content at the bottom of autoclave and SiO2/SnO2 mole ratio have shown the influence on the kinetics of crystallization of Sn-MFI. (C) 2013 Elsevier Inc. All rights reserved.

10aCrystallization10aDGC10akinetics10aNucleation10aSn-MFI1 aNiphadkar, P., S.1 aTangale, N., P.1 aJoshi, P., N.1 aAwate, S., V. uhttps://library.ncl.res.in/content/crystallization-kinetics-sn-mfi-molecular-sieve-formation-dry-gel-cross-mark-conversion-002442nas a2200241 4500008004100000022001400041245010500055210006900160260007300229300001200302490000800314520152400322653002101846653001301867653003301880653002401913653003401937100002401971700002801995700002602023700002502049856012602074 2013 eng d a0926-860X00aDehydrogenation of cyclohexanol over Cu/Al2O3 catalysts prepared with different precipitating agents0 aDehydrogenation of cyclohexanol over CuAl2O3 catalysts prepared  aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcOCT a421-4290 v4673 a

Dehydrogenation of cyclohexanol over Cu/Al2O3 catalysts (molar Cu:Al = 1:1) prepared by reduction of mixed oxide precursors synthesized using different precipitating agents viz, potassium carbonate, tetraalkyl ammonium hydroxides (TAAOHs) and urea was investigated. In order to assess the efficacy of TAAOH further, the chain length of tetraalkyl ammonium cations was also varied and the resulted catalysts were evaluated for their catalytic performance. The catalysts were characterized by powder X-ray diffraction, low temperature nitrogen adsorption, temperature programmed desorption of ammonia and UV-visible diffuse reflectance spectroscopy. The dependence of the catalyst performance on the precipitating agent employed during its synthesis has been clearly demonstrated. The use of TAAOH as precipitating agent led to the formation of a catalyst with better catalytic activity than those prepared using potassium carbonate and urea. Further improvement in the catalytic performance was observed when TAAOH with longer alkyl chain ammonium cation was used. The optimum catalyst prepared by reduction of mixed oxide precursor synthesized using tetrapropyl ammonium hydroxide as precipitating agent, showed highest cyclohexanol conversion (81.5%) and cyclohexanone selectivity (79.6%) at 250 degrees C on account of higher Cu+/Cu-0 ratio, well dispersed copper, higher surface area and lower total acidity with higher contribution of sites with moderate strength. (C) 2013 Elsevier B.V. All rights reserved.

10aCharacterization10aCu/Al2O310aCyclohexanol dehydrogenation10aPrecipitating agent10aTetraalkyl ammonium hydroxide1 aTangale, Nilesh, P.1 aNiphadkar, Prashant, S.1 aDeshpande, Shilpa, S.1 aJoshi, Praphulla, N. uhttps://library.ncl.res.in/content/dehydrogenation-cyclohexanol-over-cual2o3-catalysts-prepared-different-precipitating-003604nas a2200385 4500008004100000022001400041245019700055210006900252260006700321300001200388490000700400520219800407653001002605653001202615653002402627653000902651653002102660653000802681653004902689653002602738653004602764653000902810653002702819653002202846100002302868700002302891700003402914700002502948700002002973700002202993700002403015700002603039700002403065856012903089 2013 eng d a1747-027700aDesign, synthesis, structural characterization by IR, 1H, 13C, 15N, 2D-NMR, X-ray diffraction and evaluation of a new class of phenylaminoacetic acid benzylidene hydrazines as pfENR inhibitors0 aDesign synthesis structural characterization by IR 1H 13C 15N 2D a111 RIVER ST, HOBOKEN 07030-5774, NJ USAbWILEY-BLACKWELLcJUN a715-7290 v813 a

Recent studies have revealed that plasmodial enoyl-ACP reductase (pfENR, FabI), one of the crucial enzymes in the plasmodial type II fatty acid synthesis II (FAS II) pathway, is a promising target for liver stage malaria infections. Hence, pfENR inhibitors have the potential to be used as causal malarial prophylactic agents. In this study, we report the design, synthesis, structural characterization and evaluation of a new class of pfENR inhibitors. The search for inhibitors began with a virtual screen of the iResearch database by molecular docking. Hits obtained from the virtual screen were ranked according to their Glide score. One hit was selected as a lead and modified to improve its binding to pfENR; from this, a series of phenylamino acetic acid benzylidene hydrazides were designed and synthesized. These molecules were thoroughly characterized by IR, 1H, 13C, 15N, 2D-NMR (COSY, NOESY, 1H-13C, 1H-15N HSQC and HMBC), and X-ray diffraction. NMR studies revealed the existence of conformational/configurational isomers around the amide and imine functionalities. The major species in DMSO solution is the E, E form, which is in dynamic equilibrium with the Z, E isomer. In the solid state, the molecule has a completely extended conformation and forms helical structures that are stabilized by strong hydrogen bond interactions, forming a helical structure stabilized by N-H...O interactions, a feature unique to this class of compounds. Furthermore, detailed investigation of the NMR spectra indicated the presence of a minor impurity in most compounds. The structure of this impurity was deduced as an imidazoline-4-one derivative based on 1H-13C and 1H-15H HMBC spectra and was confirmed from the NOESY spectra. The molecules were screened for in vitro activity against recombinant pfENR enzyme by a spectrophotometric assay. Four molecules, viz. 17, 7, 10, and 12 were found to be active at 7, 8, 10, and 12m concentration, respectively, showing promising pfENR inhibitory potential. A classification model was derived based on a binary QSAR approach termed recursive partitioning (RP) to highlight structural characteristics that could be tuned to improve activity.

10aADMET10adocking10aenoyl-ACP reductase10aFabI10ahydrogen bonding10aNMR10aphenylaminoacetic acid benzylidene hydrazine10aPlasmodium falciparum10aPlasmodium falciparum enoyl-ACP reductase10aQSAR10arecursive partitioning10aX-ray diffraction1 aSamal, Ramanuj, P.1 aKhedkar, Vijay, M.1 aPissurlenkar, Raghuvir, R. S.1 aBwalya, Angela, Gono1 aTasdemir, Deniz1 aJoshi, Ramesh, A.1 aRajamohanan, P., R.1 aPuranik, Vedavati, G.1 aCoutinho, Evans, C. uhttps://library.ncl.res.in/content/design-synthesis-structural-characterization-ir-1h-13c-15n-2d-nmr-x-ray-diffraction-and-002009nas a2200253 4500008004100000022001400041245007800055210006900133260006700202300001200269490000700281520116500288653001501453653001701468653002501485653001401510653001201524100002401536700002001560700002201580700002101602700002001623856011201643 2013 eng d a0962-107500aDifferential protease activity augments polyphagy in helicoverpa armigera0 aDifferential protease activity augments polyphagy in helicoverpa a111 RIVER ST, HOBOKEN 07030-5774, NJ USAbWILEY-BLACKWELLcJUN a258-2720 v223 a

Helicoverpa armigera (Lepidoptera: Noctuidae) and other polyphagous agricultural pests are extending their plant host range and emerging as serious agents in restraining crop productivity. Dynamic regulation, coupled with a diversity of digestive and detoxifying enzymes, play a crucial role in the adaptation of polyphagous insects. To investigate the functional intricacy of serine proteases in the development and polyphagy of H.armigera, we profiled the expression of eight trypsin-like and four chymotrypsin-like phylogenetically diverse mRNAs from different life stages of H.armigera reared on nutritionally distinct host plants. These analyses revealed diet- and stage-specific protease expression patterns. The trypsins expressed showed structural variations, which might result in differential substrate specificity and interaction with inhibitors. Protease profiles in the presence of inhibitors and their mass spectrometric analyses revealed insight into their differential activity. These findings emphasize the differential expression of serine proteases and their consequences for digestive physiology in promoting polyphagy in H.armigera.

10aadaptation10achymotrypsin10aHelicoverpa armigera10apolyphagy10aTrypsin1 aChikate, Yojana, R.1 aTamhane, V., A.1 aJoshi, Rakesh, S.1 aGupta, Vidya, S.1 aGiri, Ashok, P. uhttps://library.ncl.res.in/content/differential-protease-activity-augments-polyphagy-helicoverpa-armigera-002031nas a2200289 4500008004100000022001400041245009600055210006900151260007300220300001200293490000800305520105400313653002201367653001401389653001501403653001401418653002201432653002001454100002301474700001501497700001901512700001801531700002401549700002501573700002201598856012101620 2013 eng d a0011-916400aEffect of foulants on arsenic rejection via polyacrylonitrile ultrafiltration (UF) membrane0 aEffect of foulants on arsenic rejection via polyacrylonitrile ul aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcJAN a243-2460 v3093 a

Arsenic rejection via modified polyacrylonitrile ultrafiltration (UF) membrane was found to be very high, however, the presence of commonly found foulants in arsenic solution affected membrane performance. The effect of commonly found foulants, such as ovalbumin, humic acid and egg white on arsenic rejection were studied. Experiments indicated that the As(V) rejection was affected by the total quantity of proteins and not the variety of proteins present in a solution. As(V) rejection was found to decrease with increasing proteins while fouling was found to increase from 25% for 0.1 mg/ml to 33% for 0.5 mg/ml egg white. The As(V) rejection was found to decrease with increasing concentration of humic acid for PAN membranes. Fouling studies showed that humic acid was a lesser foulant in comparison to egg white. However a combination of the two foulants led to a decrease in the overall fouling. pH was also found to be a very important factor for egg white dissolution and As(V) rejection. (C) 2012 Elsevier B.V. All rights reserved.

10aArsenic rejection10aEgg white10aHumic acid10aOvalbumin10aPolyacrylonitrile10aUltrafiltration1 aAgarwal, Gopal, P.1 aKaran, Raj1 aBharti, Sachin1 aKumar, Hemant1 aJhunjhunwala, Sumit1 aSreekrishnan, T., R.1 aKharul, Ulhas, K. uhttps://library.ncl.res.in/content/effect-foulants-arsenic-rejection-polyacrylonitrile-ultrafiltration-uf-membrane-002179nas a2200265 4500008004100000022001400041245014500055210006900200260007400269300000900343490000800352520117700360653001501537653001801552653001901570653002101589653002801610100002201638700002101660700002801681700002501709700002601734700002401760856012901784 2013 eng d a0049-697900aEnhanced dual-effect of adsorption and photodegradation of SiO2 embedded TiO2 hybrid catalyst for improved decolourization of methylene blue0 aEnhanced dualeffect of adsorption and photodegradation of SiO2 e aVAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDSbSPRINGERcSEP a17260 v2243 a

Dual-effects of adsorption and photodegradation over titania, silica embedded titania, silica and commercial Degussa P-25 samples were studied for the decolourization of methylene blue in aqueous medium. Silica embedded titania and silica were prepared using inexpensive polymeric version of ethyl silicate as a source of silica. Catalysts were characterized by X-ray diffraction, scanning electron microscopy, UV-Vis spectroscopy and low temperature (77 K) nitrogen adsorption measurements. Among all the catalysts, silica embedded titania has exhibited faster decolourization of methylene blue solution on account of the enhancement of adsorption followed by degradation. An amount of the catalyst and the initial dye concentration of MB solution were found to influence the decolourization activity. Compared to titania catalyst, silica embedded titania and Degussa P-25 have shown the red shift in their UV-Vis spectrum. The experimental data of the reaction fitted well to the pseudo first order kinetic model. In present studies, the adsorption mechanism for the decolourization of MB solution was found to be applicable for an intra particle diffusion model.

10aAdsorption10akinetic model10aMethylene blue10aPhotodegradation10aSilica embedded titania1 aSonar, Shilpa, K.1 aWagh, Reshma, V.1 aNiphadkar, Prashant, S.1 aJoshi, Praphulla, N.1 aDeshpande, Shilpa, S.1 aAwate, Shobhana, V. uhttps://library.ncl.res.in/content/enhanced-dual-effect-adsorption-and-photodegradation-sio2-embedded-tio2-hybrid-catalyst-001456nas a2200217 4500008004100000245006000041210005900101260000800160300001400168490000600182520078800188100002300976700002400999700002201023700001801045700001601063700002001079700002301099700002401122856009201146 2013 eng d00aEnhanced field-emission behavior of layered MoS2 sheets0 aEnhanced fieldemission behavior of layered MoS2 sheets cAUG a2730-27340 v93 aField emission studies are reported for the first time on layered MoS2 sheets at the base pressure of approximate to 1 x 10(-8) mbar. The turn-on field required to draw a field emission current density of 10 A/cm(2) is found to be 3.5 V/m for MoS2 sheets. The turn-on values are found to be significantly lower than the reported MoS2 nanoflowers, graphene, and carbon nanotube-based field emitters due to the high field enhancement factor (approximate to 1138) associated with nanometric sharp edges of MoS2 sheet emitter surface. The emission current-time plots show good stability over a period of 3 h. Owing to the low turn-on field and planar (sheetlike) structure, the MoS2 could be utilized for future vacuum microelectronics/nanoelectronic and flat panel display applications.1 aKashid, Ranjit, V.1 aLate, Dattatray, J.1 aChou, Stanley, S.1 aHuang, Yi-Kai1 aDe, Mrinmoy1 aJoag, Dilip, S.1 aMore, Mahendra, A.1 aDravid, Vinayak, P. uhttps://library.ncl.res.in/content/enhanced-field-emission-behavior-layered-mos2-sheets01543nas a2200253 4500008004100000022001400041245005700055210005700112260008600169300001100255490000700266520074800273653002201021653001401043653001401057653001401071653000901085653001601094100002201110700002701132700001901159700002501178856008601203 2013 eng d a1544-047800aEnzymatic degumming of silk with microbial proteases0 aEnzymatic degumming of silk with microbial proteases a325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USAbTAYLOR & FRANCIS INCcJAN a98-1110 v103 a

Degumming of Chinese bivoltine silk with alkaline proteases from various microbial sources was investigated and compared with commercial enzymes. Among the proteases tested, two fungal and two actinomycete proteases were promising, which showed weight loss similar to conventional method (19.58% to 21.78%). Conidiobolus brefeldianus and BOA-2 proteases were best enzymes, which showed weight loss similar to conventional method with low enzyme concentrations and in shorter time. No significant differences were found in tensile strength or elongation at break by enzymatic degumming indicating that there was no damage to the fiber. Scanning electron micrographs showed the sericin deposits were removed and the fibers were separated.

10aAlkaline Protease10abivoltine10adegumming10amicrobial10aSilk10aweight loss1 aMore, Shivaji, V.1 aKhandelwal, Harish, B.1 aJoseph, M., A.1 aLaxman, Ryali, Seeta uhttps://library.ncl.res.in/content/enzymatic-degumming-silk-microbial-proteases-001072nas a2200157 4500008004100000022001400041245008600055210006900141260011000210300001600320490000700336520040500343100002500748700002500773856011600798 2013 eng d a1463-907600aEvolution and magnetic characteristics of NiO-Ni(OH)(2) core-shell nanostructures0 aEvolution and magnetic characteristics of NiONiOH2 coreshell nan aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcOCT a20808-208120 v153 a

The evolution and magnetic behaviour of NiO-Ni(OH)(2) core-shell nanostructures with different thicknesses of the hydroxide shell have been studied. The nickel hydroxide shell is found to alter the magnetic characteristics of nickel oxide at low temperatures and explains the origin of the exchange bias effect due to the anti-ferromagnetic NiO core and a ferromagnetic nickel hydroxide shell.

1 aMahajan, Mangesh, B.1 aJoy, Pattayil, Alias uhttps://library.ncl.res.in/content/evolution-and-magnetic-characteristics-nio-nioh2-core-shell-nanostructures-001819nas a2200229 4500008004100000022001400041245011000055210006900165260011000234300001200344490000700356520091600363100002601279700002201305700002601327700002001353700001901373700002101392700002101413700002501434856013001459 2013 eng d a1463-926200aFluorescent sophorolipid molecular assembly and its magnetic nanoparticle loading: a pulsed laser process0 aFluorescent sophorolipid molecular assembly and its magnetic nan aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcJAN a943-9530 v153 a

We report realization of strong green fluorescence in a fully biocompatible highly spherical mesoscale molecular assembly of sophorolipid created by pulsed UV laser processing of a water-based dispersion of sophorolipid. Remarkably, the said fluorescence is totally absent in the original molecule of sophorolipid and is thus the property of the pulsed laser induced modifications in the molecule and the assembly. We have separately examined the consequences of laser irradiation for glucose and oleic acid components which form the sophorolipid. This fluorescence character appears to be driven by the oleic acid component while the assembly process is assisted by the glucose component. Importantly the laser synthesized mesostructures can be easily redispersed in an aqueous medium after being dried and can also be loaded with magnetic nanoparticles (magnetite) for inducing the hyperthermia effect.

1 aSingh, Pradeep, Kumar1 aMukherji, Ruchira1 aJoshi-Navare, Kasturi1 aBanerjee, Abhik1 aGokhale, Rohan1 aNagane, Satyawan1 aPrabhune, Asmita1 aOgale, Satishchandra uhttps://library.ncl.res.in/content/fluorescent-sophorolipid-molecular-assembly-and-its-magnetic-nanoparticle-loading-pulsed-001896nas a2200253 4500008004100000022001400041245008800055210006900143260009200212300001400304490000700318520097300325653001201298653001701310653002801327653003001355653001801385653002201403100002601425700001901451700002601470700003001496856011601526 2013 eng d a1533-488000aFunctional and disordered meso-macroporous gamma-Al2-xMxO3 +/- y (M = Cu and/or Ce)0 aFunctional and disordered mesomacroporous gammaAl2xMxO3 y M Cu a a26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USAbAMER SCIENTIFIC PUBLISHERScAPR a2682-26880 v133 aDisordered meso-macro porous Cu-Ce-Al2O3 nanocomposite (gamma-Al2-xMxO3 +/- y, M = Cu and or Ce) with different compositions has been synthesized. In situ templated sol-gel method has been adopted with simple EDTA ethylenediamine tetra aceticacid and ethylenediamine molecules to prepare gamma-Al2-xMxO3 +/- y, (M = Cu and or Ce). Above meso-macro porous materials were characterized by structural, spectroscopy, microscopy and textural techniques. Detailed characterization indicates that Cu2+ ions are introduced into the ceria and alumina lattice positions. Nano composite nature of the gamma-Al2-xMxO3 +/- y has been confirmed by detailed microscopy investigations. Catalytic activity of the above nanocomposite materials have been screened for environmentally important CO oxidation reaction. 30% Ce-60% Al and 10% Cu containing material shows the best activity among other meso-nnacroporous material with (50%) 100% CO oxidation at (107 degrees C) 145 degrees C.10aAlumina10aCO oxidation10aheterogeneous catalysis10aMeso-Macroporous Material10aNanocomposite10aSol-gel synthesis1 aGnanakumar, Edwin, S.1 aJohn, Jino, C.1 aRaja, Thirumalaiswamy1 aGopinath, Chinnakonda, S. uhttps://library.ncl.res.in/content/functional-and-disordered-meso-macroporous-gamma-al2-xmxo3-y-m-cu-andor-ce-002603nas a2200169 4500008004100000022001400041245006600055210006400121260007100185300001400256490000700270520198200277100003202259700002302291700002202314856009702336 2013 eng d a0888-588500aGas-liquid flow and mass transfer in an advanced-flow reactor0 aGasliquid flow and mass transfer in an advancedflow reactor a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcJUL a8996-90100 v523 a

Hydrodynamics and mass transfer of gas-liquid flow are explored under ambient conditions in an Advanced-Flow Reactor (AFR), an emerging commercial system designed for continuous manufacture. Carbon dioxide/water is the model system used in this study for a range of flow rates for gas and liquid of 5.6-103 mL/min and 10-80 mL/min, respectively. Bubble size distribution, gas holdup, specific interfacial area, pressure drop, and mass transfer coefficients are determined from flow visualization experiments and compared with conventional gas-liquid contactors. These variables are mainly influenced by the inlet flow rates and inlet composition. Average bubble sizes ((d) over bar (B)) of 0.9-3.8 mm, gas holdup (epsilon(G)) of 0.04-0.68, specific interfacial areas ((a) under bar) of 160-1300 m(2)/m(3), and overall mass transfer coefficients (k(L)(a) under bar) of 0.2-3 s(-1) were obtained for the vertical orientation of the AFR. Although effect of gravity is present for this system, no significant effect on the hydrodynamic properties was observed. The measured pressure drop for vertical orientation (3.6-53.4 kPa) was used to estimate power consumption, which is used as a metric to compare mass transfer efficiency among different gas-liquid contactors. A power law relationship was obtained for the overall mass transfer coefficients in terms of power input and gas holdup, given by kL (a) under bar = 0.101P(w)(0.443)epsilon(0.459)(G). The design of the AFR with a series of heart-shaped confined sections with obstacles enhances continuous breakup and coalescence of bubbles providing interfacial areas and mass transfer coefficients 1 order of magnitude larger than other gas-liquid contactors, such as bubble columns (50-600 m(2)/m(3); 0.005-0.24 s(-1)) and spray columns (75-170 m(2)/m(3); 0.015-0.022 s(-1)), and 1 order of magnitude smaller than gas-liquid microchannels (3400-9000 m(2)/m(3); 0.3-21 s(-1)) or falling film reactors (20,000 m(2)/m(3)).

1 aNieves-Remacha, Maria, Jose1 aKulkarni, Amol, A.1 aJensen, Klavs, F. uhttps://library.ncl.res.in/content/gas-liquid-flow-and-mass-transfer-advanced-flow-reactor-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-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-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-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-aggregation02686nas a2200193 4500008004100000022001400041245018200055210006900237260011000306300001400416490000600430520181900436100002302255700002302278700002302301700002502324700001902349856012402368 2013 eng d a2040-336400aIn situ synthesis and surface functionalization of gold nanoparticles with curcumin and their antioxidant properties: an experimental and density functional theory investigation0 aIn situ synthesis and surface functionalization of gold nanopart aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcDEC a1882-18930 v53 a

Curcumin ((1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione) is an active component of turmeric; it is responsible for its characteristic yellow color and therapeutic potential, but its poor bioavailability remains a major challenge. In order to improve the bioavailability of curcumin, various approaches have been used. One of the possible approaches to increase the bioavailability of curcumin is its conjugation on the surface of metal nanoparticles. Therefore, in the present study, we report the binding of curcumin on the surface of gold nanoparticles (AuNPs). The AuNPs were synthesized by the direct reduction of HAuCl4 using curcumin in the aqueous phase, without the use of any other reducing agents. We found that curcumin acts both as a reducing and capping agent, stabilizing the gold sol for many months. Moreover, these curcumin-capped AuNPs also show good antioxidant activity which was confirmed by the DPPH (2,2-diphenyl-l-picrylhydrazyl) radical test. Thus, the surface functionalization of AuNPs with curcumin may pave a new way of using the curcuminoids towards possible drug delivery and therapeutics. Apart from the experimental study, a detailed quantum chemical calculation using density functional theory (DFT) has been performed, in order to investigate the formation of a complex of curcumin with Au3+ ions in different possible conformational isomeric forms. Our theoretical calculations indicate the evidence of electron transfer from curcumin into the Au center and essentially indicate that as a consequence of complexation, Au3+ ions are reduced to Au-0. Our theoretical results also propose that it is the breakage of intramolecular H-bonding that probably leads to the increased availability of curcumin in the presence of gold ions and water molecules.

1 aSingh, Dheeraj, K.1 aJagannathan, Ramya1 aKhandelwal, Puneet1 aAbraham, Priya, Mary1 aPoddar, Pankaj uhttps://library.ncl.res.in/content/situ-synthesis-and-surface-functionalization-gold-nanoparticles-curcumin-and-their-001678nas a2200229 4500008004100000022001400041245012700055210006900182260007300251300001100324490000800335520080900343653001901152653002401171653002101195653001901216653002001235653001801255100002801273700002501301856012201326 2013 eng d a0304-885300aInfluence of initial particle size on the magnetostriction of sintered cobalt ferrite derived from nanocrystalline powders0 aInfluence of initial particle size on the magnetostriction of si aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcNOV a96-1020 v3463 a

The role of initial particle size on the magnetostriction coefficient of sintered cobalt ferrite derived from nanocrystalline powders is studied. Nanoparticles of cobalt ferrite with different sizes in the range 3-80 nm are synthesized by an autocombustion method using metal nitrates and glycine. It has been observed that the initial particle size of the starting powders has a strong influence on the magnetostrictive behavior of sintered cobalt ferrite. Highest magnetostrictive strain and strain derivative are obtained for sintered ferrite derived from nanoparticles of size < 5 nm. The results show that higher magnetostriction coefficient for sintered cobalt ferrite can be achieved by compacting nanocrystalline particles of very small size. (C) 2013 Elsevier B.V. All rights reserved.

10aCobalt ferrite10amagnetic properties10aMagnetostriction10aMicrostructure10aNanocrystalline10aParticle size1 aMohaideen, Kamal, Khaja1 aJoy, Pattayil, Alias uhttps://library.ncl.res.in/content/influence-initial-particle-size-magnetostriction-sintered-cobalt-ferrite-derived-001471nas a2200157 4500008004100000022001400041245012900055210006900184260008800253300001200341490000700353520077600360100002801136700002201164856012701186 2013 eng d a0023-158400aInsight into PdCl2(bipy) complex as an efficient catalyst for heck reaction and kinetic investigations in homogeneous medium0 aInsight into PdCl2bipy complex as an efficient catalyst for heck a233 SPRING ST, NEW YORK, NY 10013-1578 USAbMAIK NAUKA/INTERPERIODICA/SPRINGERcMAY a314-3210 v543 a

PdCl2(bipy) complex (bipy = 2,2'-bipyrydine) efficiently catalyzes the vinylation of aryl halides. The activity of this catalyst for the Heck reactionwas demonstrated for a variety of aryl halides and olefins in the presence of different organic and inorganic bases. The catalyst is stable under the reaction conditions and no degradation was observed. The kinetics of the Heck coupling of styrene with iodobenzene using the PdCl2(bipy) complex with potassium acetate as a base was studied over a temperature range of 393-413 K in 2-nitro-2-methyl-1-propanol medium. An empirical rate model has been proposed to fit the observed data and is found to be in good agreement with experimental results. The activation energy of the reactionwas found to be 98.70 kJ/mol.

1 aJagtap, Sangeeta, Vijay1 aDeshpande, R., M. uhttps://library.ncl.res.in/content/insight-pdcl2bipy-complex-efficient-catalyst-heck-reaction-and-kinetic-investigations-002307nas a2200265 4500008004100000022001400041245018200055210006900237260008000306300001200386490000700398520125200405653001801657653002201675653003301697653002301730653002401753100002501777700002201802700002101824700002501845700002301870700002101893856012701914 2013 eng d a1612-475800aLavandula gibsoni and plectranthus mollis essential oils: chemical analysis and insect control activities against aedes aegypti, anopheles sfttephensi and culex quinquefasciatus0 aLavandula gibsoni and plectranthus mollis essential oils chemica aTIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANYbSPRINGER HEIDELBERGcDEC a713-7180 v863 a

Essential oils and acetone extracts from Lavandula gibsoni and Plectranthus mollis, family Lamiaceae, were investigated for their mosquito larvicidal activity against 4th instar larvae of Aedes aegypti, Anopheles stephensi and Culex quinquefasciatus. LC50 values against these three species were 48.3, 62.8 and 54.7 mg/L for L. gibsoni essential oil and 118.5, 137.2 and 128.1 mg/L, respectively, for its acetone extract, while LC50 values for P. mollis essential oil were 25.4, 33.5 and 29.5 mg/L and 195.0, 213.8 and 209.0 mg/L, respectively, for its acetone extract. Repellence of the essential oils was assessed against A. aegypti adults. L. gibsoni essential oil provided 100 % protection for more than 7 h at a concentration of 2.0 mg/cm(2). Under the same conditions, the standard repellent N,N-diethyl-meta-toluamide, at 0.25 mg/cm(2), provided 100 % protection for more than 8 h, while P. mollis essential oil was only weakly repellent. The major components from both essential oils were identified based on GC-MS analysis and linear retention indices. Our results demonstrated promising larvicidal activities of both essential oils against these mosquito species. L. gibsoni essential oil also showed promising repellent activity.

10aEssential oil10aLavandula gibsoni10aMosquito larvicidal activity10aMosquito repellent10aPlectranthus mollis1 aKulkarni, Roshan, R.1 aPawar, Pushpa, V.1 aJoseph, Mary, P.1 aAkulwad, Ambadas, K.1 aSen, Avalokiteswar1 aJoshi, Swati, P. uhttps://library.ncl.res.in/content/lavandula-gibsoni-and-plectranthus-mollis-essential-oils-chemical-analysis-and-insect-001798nas a2200181 4500008004100000022001400041245010100055210006900156260007100225300001400296490000700310520108200317100001401399700002301413700002101436700002901457856013001486 2013 eng d a0888-588500aMagnetically separable single-site Ti-Fe3O4@MCM-41 catalyst for selective epoxidation of olefins0 aMagnetically separable singlesite TiFe3O4MCM41 catalyst for sele a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcJUL a9803-98110 v523 a

Magnetically separable Ti-Fe3O4@MCM-41 (Ti-MS) catalysts were prepared by postgrafting Ti with varying loading on mesoporous silica containing dispersed magnetite. The hexagonal structure of Ti-MS catalysts with a periodicity in the pores and a highly ordered hexagonal matrix was established by X-ray diffraction and transmission electron microscopy, while diffuse reflectance UV showed the isolated tetrahedral Ti species coordinated with O2-. From the Fourier transform infrared studies, the extent of Ti-O-Si linkage was found to increase with increase in Ti-loading from 1 to 5 wt %beyond which (10%), the intensity of Ti-O-Si band decreased due to the polymerization of the Ti on the silica surface. Silanol groups on the surface of silica interact with the precursor Ti((OPr)-Pr-i)(4) to give site isolated tetrahedral Ti-species responsible for complete selectivity to the epoxide in the epoxidation of cyclooctene. The magnetic property facilitated easy recovery of the catalyst for its successful eight recycles showing its stability under reaction conditions.

1 aJha, Ajay1 aPatil, Chetana, R.1 aGarade, Ajit, C.1 aRode, Chandrashekhar, V. uhttps://library.ncl.res.in/content/magnetically-separable-single-site-ti-fe3o4mcm-41-catalyst-selective-epoxidation-olefins-001946nas a2200229 4500008004100000022001400041245009200055210006900147260007300216300001200289490000700301520114400308653002701452653002001479653001201499653001601511100001401527700002101541700001501562700001701577856012201594 2013 eng d a0169-131700aMetal cation-exchanged montmorillonite clay as catalysts for hydroxyalkylation reaction0 aMetal cationexchanged montmorillonite clay as catalysts for hydr aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcAPR a141-1460 v743 a

Several solid acid catalysts were prepared by exchanging metal cations such as Zn2+, Fe3+ and Al3+ with montmorillonite clay. Among these, Al-montmorillonite showed the highest acidity determined by the pyridine-IR as well as NH3-TPD methods. A systematic comparison of the performance of these catalysts along with parent montmorillonite was carried out for the hydroxyalkylation of p-cresol with formaldehyde to give 2, 2'-methylenebis (4-methyl phenol) (DAM). It was found that the activity of these catalysts was in accordance with the increase in acidity of parent montmorillonite after the exchange of cations in the order of Zn2+, Fe3+ and Al3+. The selectivity pattern was also influenced by the exchanged cations. Since Al-montmorillonite showed the highest conversion of 51% with 98% selectivity to DAM, the effects of various reaction parameters, namely, mole ratio, catalyst concentration, temperature, reaction time on conversion and selectivity pattern were also studied using the same catalyst This catalyst also showed an excellent stability as evidenced by its eight times reuse. (C) 2012 Published by Elsevier B.V.

10aCations-exchanged clay10aMontmorillonite10aNH3-TPD10aPyridine-IR1 aJha, Ajay1 aGarade, Ajit, C.1 aShirai, M.1 aRode, C., V. uhttps://library.ncl.res.in/content/metal-cation-exchanged-montmorillonite-clay-catalysts-hydroxyalkylation-reaction-001747nas a2200229 4500008004100000022001400041245011600055210006900171260007700240300001400317490000700331520089000338653002201228653001101250653002801261653001401289653001801303100001401321700002501335700002901360856012801389 2013 eng d a2192-650600aMixed Co-Mn oxide-catalysed selective aerobic oxidation of vanillyl alcohol to vanillin in base-free conditions0 aMixed CoMn oxidecatalysed selective aerobic oxidation of vanilly aBOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANYbWILEY-V C H VERLAG GMBHcNOV a1384-13920 v783 a

Manganese-doped cobalt mixed oxide (MnCo-MO) catalyst was prepared by a solvothermal method. The as-prepared catalyst was characterised by X-ray photoelectron spectroscopy, H-2 temperature-programmed reduction, O-2 temperature-programmed oxidation and XRD. This catalyst gave 62% conversion with 83% selectivity to vanillin in 2hours for the liquid-phase air oxidation of vanillyl alcohol without using base. Three different types of metal oxides were observed in the prepared catalyst, which could be identified as Co3O4, Mn3O4 and CoMn2O4. Among these, the tetragonal phase of CoMn2O4 was found to be more active and selective for vanillyl alcohol oxidation than Co3O4 and Mn3O4. High-resolution TEM characterisation revealed the morphology of MnCo-MO nanorods with a particle size of 10nm. Successful recycling of the catalyst was also established in this oxidation reaction.

10aaerobic oxidation10acobalt10aheterogeneous catalysis10amanganese10aspinel phases1 aJha, Ajay1 aPatil, Kashinath, R.1 aRode, Chandrashekhar, V. uhttps://library.ncl.res.in/content/mixed-co-mn-oxide-catalysed-selective-aerobic-oxidation-vanillyl-alcohol-vanillin-base-001333nas a2200229 4500008004100000022001400041245009800055210006900153260006900222300001000291490000800301520049300309653002800802653002800830653001200858100001900870700002000889700001600909700002400925700002300949856013100972 2013 eng d a0022-328X00aModified zeolite immobilized palladium for ligand-free suzuki-miyaura cross-coupling reaction0 aModified zeolite immobilized palladium for ligandfree suzukimiya aPO BOX 564, 1001 LAUSANNE, SWITZERLANDbELSEVIER SCIENCE SAcAUG a29-340 v7383 a

A palladium-based catalyst supported on modified ZSM-5 was successfully prepared by a facile procedure. The prepared heterogeneous catalyst Pd@desilicated ZSM-5 showed an excellent catalytic activity at very low Pd loading (0.02 mol%) for the ligand-free Suzuki-Miyaura coupling reactions of various aryl bromides affording excellent yields of the products. The prepared catalyst presents good recyclability, over four catalytic cycles. (C) 2013 Elsevier B. V. All rights reserved.

10aheterogeneous catalysis10aSuzuki-Miyaura reaction10azeolite1 aKumbhar, Arjun1 aKamble, Santosh1 aMane, Anand1 aJha, Ratnesh, Kumar1 aSalunkhe, Rajashri uhttps://library.ncl.res.in/content/modified-zeolite-immobilized-palladium-ligand-free-suzuki-miyaura-cross-coupling-reaction-001491nas a2200205 4500008004100000022001400041245016300055210006900218260005700287300001200344490000700356520065200363653001701015653002601032653003401058653002401092100001901116700002501135856012501160 2013 eng d a0175-757100aMolecular dynamics simulation studies of the structural response of an isolated A beta(1-42) monomer localized in the vicinity of the hydrophilic TiO2 surface0 aMolecular dynamics simulation studies of the structural response a233 SPRING ST, NEW YORK, NY 10013 USAbSPRINGERcJUN a487-4940 v423 a

We have probed the effect of a model hydrophilic surface, rutile TiO2, on the full-length amyloid beta (A beta(1-42)) monomer using molecular dynamics simulations. The rutile surface brings about sharp changes in the peptide's intrinsic behavior in a distance-dependent manner. The intrinsic collapse of the peptide is disrupted, while the beta-sheet propensity is sharply enhanced with increased proximity to the surface. The results may have implications for A beta self-assembly and fibrillogenesis on hydrophilic surfaces and should be taken into consideration in the design of novel nanomaterials for perturbing amyloidogenic behavior.

10aAmyloid beta10abeta-Sheet propensity10amolecular dynamics simulation10aTiO2 rutile surface1 aJose, Jaya, C.1 aSengupta, Neelanjana uhttps://library.ncl.res.in/content/molecular-dynamics-simulation-studies-structural-response-isolated-beta1-42-monomer-001905nas a2200181 4500008004100000022001400041245008400055210006900139260007100208300001200279490000600291520122600297100001801523700003101541700001901572700001801591856011401609 2013 eng d a1554-892900aMolecular-beacon-based screen for small molecule inhibitors of miRNA maturation0 aMolecularbeaconbased screen for small molecule inhibitors of miR a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcMAY a930-9380 v83 a

miRNAs are small non-coding RNAs that regulate about 60% of mammalian genes by modulating their transcript levels. Network scale studies of miRNA-mediated regulatory circuits demonstrate the central importance of this class of small RNA in the maintenance of biological robustness. More recently, several reports have described the deregulation of numerous miRNA to be causally associated with many diseases, including cancer. These studies have highlighted the potential for development of therapeutic modalities against miRNA. Previous screening protocols, for small molecules targeting miRNA function, are either costly or technically too complex to be applied in a high-throughput manner in standard chemical laboratories. We describe a simple in vitro screening method using a DNA-based molecular beacon that overcomes the limitations associated with earlier screens. We used this method to identify inhibitors of miR-27a function from a library of 14 aminoglycosides as a pilot study. Inhibitory molecules identified were further scrutinized to identify the validity of screen. With this proof of concept we illustrate the utility of a scalable molecular-beacon-based screening strategy for miRNA inhibitors.

1 aBose, Debojit1 aJayaraj, Gopal, Gunanathan1 aKumar, Santosh1 aMaiti, Souvik uhttps://library.ncl.res.in/content/molecular-beacon-based-screen-small-molecule-inhibitors-mirna-maturation-001299nas a2200157 4500008004100000022001400041245006000055210006000115260007300175300001200248490000800260520073600268100002201004700001801026856009701044 2013 eng d a0009-261400aMultipole moments using extended coupled cluster method0 aMultipole moments using extended coupled cluster method aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcMAY a170-1750 v5683 a

Using analytic extended coupled cluster (ECC) response approach quadrupole moments, dipole-quadrupole polarizabilities and dipole polarizabilities are studied. In the current implementation of the functional we have included all the double linked terms within (CCSD) approximation. These terms will be important for the accurate description of properties at the stretched geometries. We report the properties for carbon monoxide and hydrogen fluoride molecules, as a function of bond distance and compare our results for carbon monoxide with the full Cl results. We have also reported the properties of methane, tetrafluoromethane, acetylene, difluoroacetylene, water and ammonia. (C) 2013 Elsevier B.V. All rights reserved.

1 aJoshi, Sayali, P.1 aVaval, Nayana uhttps://library.ncl.res.in/content/multipole-moments-using-extended-coupled-cluster-method-001508nas a2200217 4500008004100000022001400041245010100055210006900156260009200225300001400317490000700331520067800338653000601016653002201022653003401044653001401078653002201092100002501114700002101139856013001160 2013 eng d a1478-641900aNew 2,2-diphenylpropane and ethoxylated aromatic monoterpenes from Lavandula gibsoni (Lamiaceae)0 aNew 22diphenylpropane and ethoxylated aromatic monoterpenes from a4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLANDbTAYLOR & FRANCIS LTDcAUG a1323-13290 v273 a

A new substituted 2,2-diphenylpropane (1) and two new ethoxylated aromatic monoterpene alcohols (2 and 4) have been isolated from the acetone extract of the aerial parts of Lavandula gibsoni, along with the known compounds 8-hydroxycarvacrol (3), 8-hydroxythymol (5), coumarin (6), 4-methylresorcinol (7), 7,4-dimethylapigenin (8), salvigenin (9), -sitosteryl-3-O–D-glucopyranosyl-6-O-palmitate (10) and euscaphic acid D (11). The structures of the isolated compounds were assigned on the basis of their H-1- and C-13-NMR spectra and two-dimensional NMR techniques, which included COSY, HSQC, HMBC and NOESY experiments and comparison with the reported literature.

10a210a2-diphenylpropane10aaromatic monoterpene alcohols10aLamiaceae10aLavandula gibsoni1 aKulkarni, Roshan, R.1 aJoshi, Swati, P. uhttps://library.ncl.res.in/content/new-22-diphenylpropane-and-ethoxylated-aromatic-monoterpenes-lavandula-gibsoni-lamiaceae-001254nas a2200241 4500008004100000022001400041245007100055210006900126260009200195300001400287490000700301520040800308653002600716653002500742653002200767653001500789653001800804100002100822700002400843700002300867700002600890856009600916 2013 eng d a1478-641900aNew dipyranocoumarin from the leaves of calophyllum apetalum willd0 aNew dipyranocoumarin from the leaves of calophyllum apetalum wil a4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLANDbTAYLOR & FRANCIS LTDcOCT a1896-19010 v273 a

A new dipyranocoumarin, -hydroxytomentolide A (1) was isolated from the leaves of Calophyllum apetalum together with the known compounds friedelin (2), apetalactone (3), inophyllum C (4) and canophyllol (5). The structure of the new compound was established by spectroscopic studies which include H-1 NMR, C-13 NMR, NOESY, HetCOSY, COLOC experiments and single crystal X-ray diffraction analysis.

10a-hydroxytomentolide A10aCalophyllum apetalum10adipyranocoumarins10aGuttiferae10aTriterpenoids1 aJoshi, Swati, P.1 aKulkarni, Smita, R.1 aPhalgune, Usha, D.1 aPuranik, Vedavati, G. uhttps://library.ncl.res.in/content/new-dipyranocoumarin-leaves-calophyllum-apetalum-willd-002422nas a2200193 4500008004100000022001400041245012200055210006900177260007600246300001400322490000800336520165600344100001902000700001702019700002602036700002702062700001902089856012002108 2013 eng d a0021-919300aNitrite reductase NirBD is induced and plays an important role during in vitro dormancy of mycobacterium tuberculosis0 aNitrite reductase NirBD is induced and plays an important role d a1752 N ST NW, WASHINGTON, DC 20036-2904 USAbAMER SOC MICROBIOLOGYcOCT a4592-45990 v1953 a

Mycobacterium tuberculosis is one of the strongest reducers of nitrate among all mycobacteria. Reduction of nitrate to nitrite, mediated by nitrate reductase (NarGHJI) of M. tuberculosis, is induced during the dormant stage, and the enzyme has a respiratory function in the absence of oxygen. Nitrite reductase (NirBD) is also functional during aerobic growth when nitrite is the sole nitrogen source. However, the role of NirBD-mediated nitrite reduction during the dormancy is not yet characterized. Here, we analyzed nitrite reduction during aerobic growth as well as in a hypoxic dormancy model of M. tuberculosis in vitro. When nitrite was used as the sole nitrogen source in the medium, the organism grew and the reduction of nitrite was evident in both hypoxic and aerobic cultures of M. tuberculosis. Remarkably, the hypoxic culture of M. tuberculosis, compared to the aerobic culture, showed 32- and 4-fold-increased expression of nitrite reductase (NirBD) at the transcription and protein levels, respectively. More importantly, a nirBD mutant of M. tuberculosis was unable to reduce nitrite and compared to the wild-type (WT) strain had a >2-log reduction in viability after 240 h in the Wayne model of hypoxic dormancy. Dependence of M. tuberculosis on nitrite reductase (NirBD) was also seen in a human macrophage-based dormancy model where the nirBD mutant was impaired for survival compared to the WT strain. Overall, the increased expression and essentiality of nitrite reductase in the in vitro dormancy models suggested that NirBD-mediated nitrite reduction could be critical during the persistent stage of M. tuberculosis.

1 aAkhtar, Shamim1 aKhan, Arshad1 aSohaskey, Charles, D.1 aJagannath, Chinnaswamy1 aSarkar, Dhiman uhttps://library.ncl.res.in/content/nitrite-reductase-nirbd-induced-and-plays-important-role-during-vitro-dormancy-001474nas a2200157 4500008004100000245011000041210006900151260000800220300000800228490000600236520089500242100001701137700002001154700001901174856012301193 2013 eng d00aNovel green bio-milling technique for the synthesis of BaTiO3 nanoparticle using Saccharomyces cerevisiae0 aNovel green biomilling technique for the synthesis of BaTiO3 nan cJAN a1-50 v23 aThe development of a novel green top-down approach called bio-milling for synthesizing the oxide nanomaterials is an issue of topical interest. While a number of chemical processes are energy intensive and involve toxic chemicals. Here we report, at room temperature, bio-milling of chemically synthesized barium titinate (BaTiO3) particles by challenging the fungus Saccharomyces cerevisiae against aqueous solution of BaTiO3 to synthesize the biogenic nanoparticles. The extracellular breaking of microscaled BaTiO3 particles by extracellular biomolecules/proteins secreted by the fungus under stressed condition results in the formation of particles in nanoregime. XRD spectra and TEM analysis showed that BaTiO3 particles reduce to their size during the interaction with the fungus Saccharomyces cerevisiae and maintaining their phase and crystallinity after bio-milling process.1 aUddin, Imran1 aJaiswal, Adhish1 aPoddar, Pankaj uhttps://library.ncl.res.in/content/novel-green-bio-milling-technique-synthesis-batio3-nanoparticle-using-saccharomyces02538nas a2200193 4500008004100000022001400041245010300055210006900158260011000227300001400337490000600351520172700357100002502084700002702109700002402136700002502160700002902185856013002214 2013 eng d a1742-206X00aNovel mechanism for antiglycative action of limonene through stabilization of protein conformation0 aNovel mechanism for antiglycative action of limonene through sta aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcJUN a2463-24720 v93 a

Inhibition of protein glycation is known to ameliorate secondary complications in diabetes. In the present study antiglycative properties of limonene, a natural product, were evaluated using BSA as a model protein. AMG (aminoguanidine) was used as a positive control. Measurement of total AGEs (Advanced Glycation End-products) and specific AGEs revealed that limonene could inhibit protein glycation to the extent of 56.3% and 75.1% respectively at 50 mu M concentration as against 54.4% and 82.2% by AMG at 1 mM. Congo red binding and CD (Circular Dichroism) analysis revealed inhibition of alpha-helix to beta-sheet transition wherein 18.5% beta-sheet structures were observed in glycated BSA (bovine serum albumin) as against 4.9% with limonene. Glycation of protein in the presence of urea was enhanced by 18%, while in the presence of limonene it was reduced by 23% revealing the stabilizing effect of limonene. Electrophoretic mobility was similar to the normal control and a zeta potential value of -12.1 mV as against -15.1 mV in diabetic control was observed. Inhibition of glycation in limonene treated samples was confirmed through LC-MS analysis wherein AGEs such as pentosidine, CML (N-epsilon-(carboxymethyl)lysine), CEL (N-epsilon-(carboxyethyl) lysine), MOLD (methylglyoxal-lysine dimer) and imidazolone observed in glycated samples were absent in limonene treated samples. PatchDock studies revealed that limonene could bind to the major glycation sites IB, IIA and IIB sub domains and AMG to the IIIA sub domain. Thus limonene is a potent protein glycation inhibitor that prevents protein glycation through a novel mechanism of stabilization of protein structure through hydrophobic interactions.

1 aJoglekar, Madhav, M.1 aPanaskar, Shrimant, N.1 aChougale, Ashok, D.1 aKulkarni, Mahesh, J.1 aArvindekar, Akalpita, U. uhttps://library.ncl.res.in/content/novel-mechanism-antiglycative-action-limonene-through-stabilization-protein-conformation-001858nas a2200253 4500008004100000022001400041245014000055210006900195260010600264300001400370490000700384520088300391653001301274653002501287653001301312653001301325653001601338653001401354100002701368700002301395700002701418700002701445856013201472 2013 eng d a0040-402000aOrientation of the beta-hydroxyl group controls the diastereoselectivity during the hydride reduction and grignard reaction of inososes0 aOrientation of the betahydroxyl group controls the diastereosele aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcJUN a5144-51510 v693 a

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

10aCyclitol10adiastereoselectivity10aGrignard10aInositol10aNucleophile10areduction1 aJagdhane, Rajendra, C.1 aPatil, Madhuri, T.1 aKrishnaswamy, Shobhana1 aShashidhar, Mysore, S. uhttps://library.ncl.res.in/content/orientation-beta-hydroxyl-group-controls-diastereoselectivity-during-hydride-reduction-and-001911nas a2200253 4500008004100000022001400041245011100055210006900166260007400235300001300309490000700322520098900329653001701318653002401335653001901359653002601378653001901404100001901423700002101442700001901463700001901482700002501501856013101526 2013 eng d a0021-891X00aPorous Co3O4 nanorods as superior electrode material for supercapacitors and rechargeable Li-ion batteries0 aPorous Co3O4 nanorods as superior electrode material for superca aVAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDSbSPRINGERcOCT a995-10030 v433 a

Porous aggregated nanorods of Co3O4 with a surface area of similar to 100 m(2) g(-1) synthesized without using any templates or surfactants give very high specific capacitance of similar to 780 F g(-1) when used as electrode in a faradaic supercapacitor, with a cycle life of more than 1,000 cycles. Further, in Li-ion batteries when used as an anode, the Co3O4 nanorods achieved a capacity of 1155 mA h g(-1) in the first cycle and upon further cycling it is stabilized at 820 mA h g(-1) for more than 25 cycles. Detailed characterization indicated the stability of the material and the improved performance is attributed to the shorter Li-insertion/desertion pathways offered by the highly porous nanostructures. The environmentally benign and easily scalable method of synthesis of the porous Co3O4 nanorods coupled with the superior electrode characteristics in supercapacitors and Li-ion batteries provide efficient energy storage capabilities with promising applications.

10aCobalt oxide10aElectrode materials10aLi-ion battery10aPorous nanostructures10asupercapacitor1 aVijayanand, S.1 aKannan, Ramaiyan1 aPotdar, H., S.1 aPillai, V., K.1 aJoy, Pattayil, Alias uhttps://library.ncl.res.in/content/porous-co3o4-nanorods-superior-electrode-material-supercapacitors-and-rechargeable-li-ion-002066nas a2200241 4500008004100000022001400041245009300055210006900148260007300217300001400290490000700304520125600311653001301567653001701580653001301597653000801610653001901618653000801637100001801645700002001663700001901683856012201702 2013 eng d a0928-493100aProbing interaction of Gram-positive and Gram-negative bacterial cells with ZnO nanorods0 aProbing interaction of Grampositive and Gramnegative bacterial c aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcAPR a1247-12530 v333 a

In the present work, the physiological effects of the ZnO nanorods on the Gram positive (Staphylococcus aureus and Bacillus subtilis) and Gram-negative (Escherichia coli and Aerobacter aerogenes) bacterial cells have been studied. The analysis of bacterial growth curves for various concentrations of ZnO nanorods indicates that Gram positive and Gram negative bacterial cells show inhibition at concentrations of similar to 64 and similar to 256 mu g/mL respectively. The marked difference in susceptibility towards nanorods was also validated by spread plate and disk diffusion methods. In addition, the scanning electron micrographs show a clear damage to the cells via changed morphology of the cells from rod to coccoid etc. The confocal optical microscopy images of these cells also demonstrate the reduction in live cell count in the presence of ZnO nanorods. These, results clearly indicate that the antibacterial activity of ZnO nanorods is higher towards Gram positive bacterium than Gram negative bacterium which indicates that the structure of the cell wall might play a major role in the interaction with nanostructured materials and shows high sensitivity to the particle concentration. (C) 2012 Elsevier B.V. All rights reserved.

10aConfocal10aGrowth curve10aNanorods10aSEM10aZeta potential10aZnO1 aJain, Aanchal1 aBhargava, Richa1 aPoddar, Pankaj uhttps://library.ncl.res.in/content/probing-interaction-gram-positive-and-gram-negative-bacterial-cells-zno-nanorods-000956nas a2200169 4500008004100000022001400041245007300055210006800128260007100196300001600267490000700283520032800290100001900618700002000637700002400657856010500681 2013 eng d a0022-326300aProline-catalyzed asymmetric synthesis of syn- and anti-1,3-diamines0 aProlinecatalyzed asymmetric synthesis of syn and anti13diamines a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcDEC a11756-117640 v783 a

A general organocatalytic strategy for asymmetric synthesis of both syn/anti-1,3-diamines has been developed. The strategy employs proline-catalyzed sequential alpha-amination and Horner-Wadsworth-Emmons (HWE) olefination of aldehydes as the key step where syn-1,3-diamine was obtained as the most favorable product.

1 aKumar, Pradeep1 aJha, Vishwajeet1 aGonnade, Rajesh, G. uhttps://library.ncl.res.in/content/proline-catalyzed-asymmetric-synthesis-syn-and-anti-13-diamines-001910nas a2200265 4500008004100000022001400041245012700055210006900182260009000251300000900341490000600350520086400356100002401220700001701244700002901261700003901290700002401329700002301353700002501376700002401401700003701425700002601462700002501488856013101513 2013 eng d a2045-232200aProteome wide reduction in AGE modification in streptozotocin induced diabetic mice by hydralazine mediated transglycation0 aProteome wide reduction in AGE modification in streptozotocin in aMACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLANDbNATURE PUBLISHING GROUPcOCT a29410 v33 a

The non-enzymatic reaction between glucose and protein can be chemically reversed by transglycation. Here we report the transglycation activity of hydralazine using a newly developed MALDI-TOF-MS based assay. Hydralazine mediated transglycation of HbA1c, plasma proteins and kidney proteins was demonstrated in streptozotocin (STZ) induced diabetic mice, as evidenced by decrease in protein glycation, as well as presence of hydralazine-glucose conjugate in urine of diabetic mice treated with hydralazine. Hydralazine down regulated the expression of Receptor for Advanced Glycation End products (RAGE), NADPH oxidase (NOX), and super oxide dismutase (SOD). These findings will provide a new dimension for developing intervention strategies for the treatment of glycation associated diseases such as diabetes complications, atherosclerosis, and aging.

1 aKesavan, Suresh, K.1 aBhat, Shweta1 aGolegaonkar, Sandeep, B.1 aJagadeeshaprasad, Mashanipalya, G.1 aDeshmukh, Arati, B.1 aPatil, Harshal, S.1 aBhosale, Santosh, D.1 aShaikh, Mahemud, L.1 aThulasiram, Hirekodathakallu, V.1 aBoppana, Ramanamurthy1 aKulkarni, Mahesh, J. uhttps://library.ncl.res.in/content/proteome-wide-reduction-age-modification-streptozotocin-induced-diabetic-mice-hydralazine-002124nas a2200217 4500008004100000022001400041245008100055210006900136260010300205300001200308490000700320520130500327100002301632700002401655700002201679700002001701700002701721700002501748700002501773856010801798 2013 eng d a1535-947600aProteomic analysis of protease resistant proteins in the diabetic rat kidney0 aProteomic analysis of protease resistant proteins in the diabeti a9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3996 USAbAMER SOC BIOCHEMISTRY MOLECULAR BIOLOGY INCcJAN a228-2360 v123 a

Glycation induced protein aggregation has been implicated in the development of diabetic complications and neurodegenerative diseases. These aggregates are known to be resistant to proteolytic digestion. Here we report the identification of protease resistant proteins from the streptozotocin induced diabetic rat kidney, which included enzymes in glucose metabolism and stress response proteins. These protease resistant proteins were characterized to be advanced glycation end products modified and ubiquitinated by immunological and mass spectrometry analysis. Further, diabetic rat kidney exhibited significantly impaired proteasomal activity. The functional analysis of identified physiologically important enzymes showed that their activity was reduced in diabetic condition. Loss of functional activity of these proteins was compensated by enhanced gene expression. Aggregation prone regions were predicted by in silico analysis and compared with advanced glycation end products modification sites. These findings suggested that the accumulation of protein aggregates is an inevitable consequence of impaired proteasomal activity and protease resistance due to advanced glycation end products modification. Molecular & Cellular Proteomics 12: 10.1074/mcp.M112.020651, 228-236, 2013.

1 aBansode, Sneha, B.1 aChougale, Ashok, D.1 aJoshi, Rakesh, S.1 aGiri, Ashok, P.1 aBodhankar, Subhash, L.1 aHarsulkar, Abhay, M.1 aKulkarni, Mahesh, J. uhttps://library.ncl.res.in/content/proteomic-analysis-protease-resistant-proteins-diabetic-rat-kidney-001298nas a2200205 4500008004100000022001400041245013100055210006900186260011000255300001600365490000700381520043700388100002800825700002600853700002000879700001600899700003000915700001900945856012800964 2013 eng d a1359-734500aRationally designed CuFe2O4-mesoporous Al2O3 composite towards stable performance of high temperature water-gas shift reaction0 aRationally designed CuFe2O4mesoporous Al2O3 composite towards st aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcJUL a11257-112590 v493 a

High temperature water-gas shift reaction was demonstrated for the first time on a CuFe2O4-mesoporous alumina nanocomposite between 350 and 550 degrees C with 70-80% CO-conversion using simulated waste derived syngas under realistic conditions. Despite high Al-content, the catalyst exhibited stable activity, which was attributed to the nano-architectured robust porous nature of alumina integrated with surrounding CuFe2O4.

1 aSubramanian, Vijayanand1 aGnanakumar, Edwin, S.1 aJeong, Dae-Woon1 aHan, Won-Bi1 aGopinath, Chinnakonda, S.1 aRoh, Hyun-Seog uhttps://library.ncl.res.in/content/rationally-designed-cufe2o4-mesoporous-al2o3-composite-towards-stable-performance-high-001761nas a2200169 4500008004100000245013500041210006900176260000800245300001400253490000600267520111800273100001601391700001701407700002501424700001701449856012501466 2013 eng d00aSelf-assembly of modified rhodamine-6G with tri-block copolymer: unusual vesicles formation, pH sensing and dye release properties0 aSelfassembly of modified rhodamine6G with triblock copolymer unu cDEC a1150-11550 v13 a

A new rhodamine-6G derivative having a C18-alkyl chain self-assembles with an amphiphilic tri-block copolymer and forms stable vesicles in water or in water–ethanol (4 : 1, v/v) medium. The stability of the spirolactam form of the rhodamine-6G derivative in these vesicular structures, along with studies of controlled dye release and pH sensing are discussed. Transmission electron micrographs and DLS analyses confirm the formation of vesicular structures. Atomic force microscopy (AFM) images show that the self assembled tri-block copolymer-octadecyl rhodamine vesicles form near spherical nanostructures with a size ranging from 80 to 110 nm. Furthermore, the vesicular system is disassembled under acidic conditions, releasing the cargo which are an integral part of the vesicle. Dye-release studies showed that the release rates of the loaded dye in the vesicles could be well-controlled as a function of the media pH. These results offer an opportunity to use these nanovesicles as imaging reagents for probing media pH with their simultaneous use as nanocarriers for intracellular drug delivery.

1 aPraveen, L.1 aSaha, Sukdeb1 aJewrajka, Suresh, K.1 aDas, Amitava uhttps://library.ncl.res.in/content/self-assembly-modified-rhodamine-6g-tri-block-copolymer-unusual-vesicles-formation-ph01792nas a2200265 4500008004100000022001400041245008800055210006900143260007300212300001200285490000700297520083600304653001601140653003501156653001701191653001901208653004801227653001401275100002801289700002901317700002301346700002201369700002501391856011001416 2013 eng d a0141-813000aSolution and in silico studies on the recombinant lectin from Cicer arietinum seeds0 aSolution and in silico studies on the recombinant lectin from Ci aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcMAY a149-1550 v563 a

The Cicer arietinum seed lectin was cloned and expressed in Escherichia coli and purified in active form. Conformational characterization of the recombinant lectin (rCAL) was performed using biophysical and bioinformatics tools. Thermal denaturation of rCAL caused rapid secondary structural rearrangements above 50 degrees C and transient exposure of hydrophobic residues at 55 degrees C, leading to aggregation. Treatment of rCAL with GdnHCl resulted in unfolding followed by dissociation of the dimer. The single tryptophan in rCAL present on the surface of the protein is surrounded by hydrophobic and acidic amino acids and exists as different conformers. The experimental observations correlated well with the structural information revealed from the homology model of rCAL. (C) 2013 Elsevier B.V. All rights reserved.

10aAggregation10aBL21-CodonPlus (DE3)-RIL cells10aCicer lectin10aHomology model10aSteady-state and time resolved fluorescence10aUnfolding1 aWakankar, Madhurima, S.1 aKrishnasastry, Musti, V.1 aJaokar, Tulika, M.1 aPatel, Krunal, A.1 aGaikwad, Sushama, M. uhttps://library.ncl.res.in/content/solution-and-silico-studies-recombinant-lectin-cicer-arietinum-seeds-002069nas a2200169 4500008004100000022001400041245013400055210006900189260008100258300001100339490000700350520136000357100001401717700002001731700001901751856012901770 2013 eng d a0022-372700aStatic and dynamic magnetic properties and interplay of Dy3+, Gd3+ and Mn3+ spins in orthorhombic DyMnO3 and GdMnO3 nanoparticles0 aStatic and dynamic magnetic properties and interplay of Dy3 Gd3  aTEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLANDbIOP PUBLISHING LTDcJAN a0453010 v463 a

Single-phase orthorhombic DyMnO3 and GdMnO3 nanoparticles in the size range 60-70 and 35-45 nm, respectively, were synthesized using a modified hydrothermal method. The magnetic property measurements of DyMnO3 nanocrystals show anomalies around similar to 43K (antiferromagnetic (AFM) coupling between Mn3+ spins) and at 7K in the form of a peak in the zero-field-cooled curve (AFM coupling between Dy3+ spins). Whereas, GdMnO3 undergoes a phase transition at similar to 42K from paramagnetic to an incommensurate-antiferromagnetic phase (ICAFM) followed by a second anomaly at similar to 22 K, which could be associated with the transition from ICAFM into a canted A-type AFM ordering of the Mn3+ spins. This transition is followed by a long-range ordering of the Gd3+ moments at 6K yielding the canting of the Gd3+ spins with a ferromagnetic (FM) component antiparallel to the FM moment of the canted Mn3+ spins. No anomaly near the Neel temperature of the Mn moments for both DyMnO3 and GdMnO3 nanoparticles was observed in ac magnetization which were observed in dc magnetization. The room temperature Raman spectra of DyMnO3 shows two most intense Raman modes at 480 and 609 cm(-1) which can be assigned to an antisymmetric Jahn-Teller stretching mode and a symmetric or breathing stretching mode, respectively, involving Mn-O bond stretching.

1 aDas, Raja1 aJaiswal, Adhish1 aPoddar, Pankaj uhttps://library.ncl.res.in/content/static-and-dynamic-magnetic-properties-and-interplay-dy3-gd3-and-mn3-spins-orthorhombic-002054nas a2200253 4500008004100000022001400041245009800055210006900153260009500222300001400317490000800331520110600339653001001445653002301455653002201478653003901500653002201539100001901561700002201580700002501602700002101627700002001648856013201668 2013 eng d a0006-291X00aStructural-functional insights of single and multi-domain capsicum annuum protease inhibitors0 aStructuralfunctional insights of single and multidomain capsicum a525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USAbACADEMIC PRESS INC ELSEVIER SCIENCEcJAN a1060-10650 v4303 a

Pin-II protease inhibitors (PIs) are the focus of research interest because of their large structural-functional diversity and relevance in plant defense. Two representative Capsicum annuum PI genes (CanPI-15 and -7) comprising one and four inhibitory repeat domains, respectively, were expressed and recombinant proteins were characterized. beta-Sheet and unordered structure was found predominant in CanPI-15 while -7 also displayed the signatures of polyproline fold, as revealed by circular dichroism studies. Inhibition kinetics against bovine typsin indicated three times higher potency of CanPI-7 (K-i similar to 57 mu M) than -15 (similar to 184 mu M). Activity and structural stability of these CanPIs were revealed under various conditions of pH, temperature and denaturing agent. Structure prediction, docking studies with proteases and mass spectroscopy revealed the organization of multiple reactive site loops of multi domain PIs in space as well as the steric hindrances imposed while binding to proteases due to their close proximity. (C) 2012 Elsevier Inc. All rights reserved.

10aCanPI10aCircular dichroism10aDisulfide bonding10aPotato type-II protease inhibitors10aProtein stability1 aMishra, Manasi1 aJoshi, Rakesh, S.1 aGaikwad, Sushama, M.1 aGupta, Vidya, S.1 aGiri, Ashok, P. uhttps://library.ncl.res.in/content/structural-functional-insights-single-and-multi-domain-capsicum-annuum-protease-inhibitors-001820nas a2200241 4500008004100000022001400041245007300055210006900128260009000197300000900287490000600296520096100302100002601263700002601289700002301315700002001338700002301358700002201381700002301403700002101426700002401447856010701471 2013 eng d a2045-232200aSuperior field emission properties of layered WS2-RGO nanocomposites0 aSuperior field emission properties of layered WS2RGO nanocomposi aMACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLANDbNATURE PUBLISHING GROUPcNOV a32820 v33 a

We report here the field emission studies of a layered WS2-RGO composite at the base pressure of similar to 1 x 10(-8) mbar. The turn on field required to draw a field emission current density of 1 mu A/cm(2) is found to be 3.5, 2.3 and 2 V/mu m for WS2, RGO and the WS2-RGO composite respectively. The enhanced field emission behavior observed for the WS2-RGO nanocomposite is attributed to a high field enhancement factor of 2978, which is associated with the surface protrusions of the single-to-few layer thick sheets of the nanocomposite. The highest current density of similar to 800 mu A/cm(2) is drawn at an applied field of 4.1 V/mu m from a few layers of the WS2-RGO nanocomposite. Furthermore, first-principles density functional calculations suggest that the enhanced field emission may also be due to an overalp of the electronic structures of WS2 and RGO, where graphene-like states are dumped in the region of the WS2 fundamental gap.

1 aRout, Chandra, Sekhar1 aJoshi, Padmashree, D.1 aKashid, Ranjit, V.1 aJoag, Dilip, S.1 aMore, Mahendra, A.1 aSimbeck, Adam, J.1 aWashington, Morris1 aNayak, Saroj, K.1 aLate, Dattatray, J. uhttps://library.ncl.res.in/content/superior-field-emission-properties-layered-ws2-rgo-nanocomposites-001828nas a2200217 4500008004100000022001400041245015700055210006900212260009900281300001200380490000800392520089100400653003201291653002601323653003501349653003201384100002001416700002101436700002601457856012701483 2013 eng d a0960-852400aSupplementation of medium with diammonium hydrogen phosphate enhanced the D-lactate dehydrogenase levels leading to increased D-lactic acid productivity0 aSupplementation of medium with diammonium hydrogen phosphate enh aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLANDbELSEVIER SCI LTDcOCT a736-7390 v1463 a

The production of D-lactic acid by Lactobacillus lactis RM2-24 was investigated using modified media to increase the efficiency of the fermentation process. The results indicated that the addition of 5 g/l peptone and 1 g/l (NH4)(2)HPO4 enhanced D-lactic acid production by 32%, as compared to that obtained from non supplemented media, with a productivity of 3.0 g/l/h. Lactate dehydrogenase (LDH) expression profile in these different media was studied which resulted in appearance of additional LDH isoform produced by cells when they were grown in HSYE supplemented with (NH4)(2)HPO4. The additional LDH appears to be L-LDH contributing to production of L-lactic acid in the fermented broth. This is totally new information in the lactic acid fermentation and could be very useful to industries engaged in D-lactic acid production. (c) 2013 Elsevier Ltd. All rights reserved.

10aD(-) lactic acid production10aLactate dehydrogenase10aLactobacillus delbrueckii Uc-310aLactobacillus lactis RM2-241 aSinghvi, Mamata1 aJadhav, Akanksha1 aGokhale, Digambar, V. uhttps://library.ncl.res.in/content/supplementation-medium-diammonium-hydrogen-phosphate-enhanced-d-lactate-dehydrogenase-002969nas a2200181 4500008004100000022001400041245015200055210006900207260011000276300001400386490000600400520216900406100001702575700002002592700002702612700001902639856012902658 2013 eng d a2046-206900aSurface chemistry and growth mechanism of highly oriented, single crystalline TiO2 nanorods on transparent conducting oxide coated glass substrates0 aSurface chemistry and growth mechanism of highly oriented single aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcNOV a1933-19400 v33 a

The fabrication of one-dimensional (1D) rods or wires of titania in desired crystalline facets is quite exciting due to unique optoelectronic properties. The single crystalline, oriented nanorods directly grown on transparent conducting oxide (TCO) substrates are finding a lot of interest in solar photovoltaics and several other optoelectronic devices due to enhanced electron transport and lower exciton recombination rates. However, the growth of desired crystalline facets of highly oriented, single crystalline nanorods on different substrates and understanding the interplay between the surface chemistry and growth mechanism still remain a non-trivial and challenging task. Here, for the first time, the kinetically controlled growth of the (310) facet of TiO2 nanorods on fluorine-doped tin oxide (FTO) coated glass substrate has been reported which is in contrast to the previously reported (002) faceted TiO2 nanorods. In addition to this, the growth of (110) facet TiO2 nanorods using amorphous fluorine doped silicon oxide (FSO) as a substrate is also demonstrated. In this paper, it is shown that two different faceted TiO2 nanorods can be synthesized following same synthetic condition by varying only the material properties of the substrate. To investigate the role of substrate chemistry on the morphology and single crystallinity of TiO2 nanorods, electron microscopy, XPS and contact angle measurements have been done. The results clearly indicate an important link between the surface chemistry and morphology of TiO2 nanorods. It can be assumed that there is a role of OH- and water groups which are responsible for the growth of plane (110) which has less surface energy. The observation of (310) facet is quite surprising and can be explained based on FTO crystallinity. It is possible to tune the diameter of the titania nanorods by further coating the FTO substrate with a thin gold layer due to increase in the hydrophilicity of the substrate. Finally, a light to electricity conversion efficiency of 2.5% could be achieved by using vertically grown titania nanorods on FTO as the photoanode in a dye sensitized solar cell (DSSC).

1 aSadhu, Subha1 aJaiswal, Adhish1 aAdyanthaya, Suguna, D.1 aPoddar, Pankaj uhttps://library.ncl.res.in/content/surface-chemistry-and-growth-mechanism-highly-oriented-single-crystalline-tio2-nanorods-002056nas a2200229 4500008004100000022001400041245012700055210006900182260007300251300001200324490000800336520116700344653001501511653002501526653002001551653002101571653003401592653002901626100001901655700002501674856012701699 2013 eng d a0301-462200aSurface induced collapse of A beta(1-42) with the F19A replacement following adsorption on a single walled carbon nanotube0 aSurface induced collapse of A beta142 with the F19A replacement  aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcDEC a108-1150 v1843 a

Spontaneous adsorption of the A beta peptide on the surface of a single-walled carbon nanotube, resulting in the prevention of its intrinsic propensity to form collapsed states, could be a plausible means to hinder the peptide's initial nucleation and self-assembly. We report here the effects of sharply reducing both aromatic and hydrophobic character within the peptide's central hydrophobic core on its free and surface behavior. In such an altered peptide, complete surface adsorption is found to induce, rather than prevent, the adsorbed peptide's collapse. The weakened surface interactions of the central hydrophobic core allow its greater translational mobility on the surface, thereby facilitating interactions that lead to compaction. Both the adsorption and the subsequent collapse are accompanied by a loss of surface hydration in the modified peptide. We further find that such a two-step dewetting leads to hydration levels comparable to that obtained after compaction of the free peptide. These insights may be leveraged for designing molecular surfaces for disrupting intrinsic A beta behavior. (C) 2013 Elsevier B.V. All rights reserved.

10aAdsorption10aAmyloid beta peptide10acarbon nanotube10aLateral mobility10amolecular dynamics simulation10aSurface induced collapse1 aJana, Asis, K.1 aSengupta, Neelanjana uhttps://library.ncl.res.in/content/surface-induced-collapse-beta1-42-f19a-replacement-following-adsorption-single-walled-001715nas a2200217 4500008004100000022001400041245006900055210006600124260006700190300001000257490000800267520097900275653001101254653002601265653002601291653001501317653002301332100001801355700002401373856010001397 2013 eng d a0021-899500aSynergistic mechanical response of Nylon 6/Trogamid (R) T blends0 aSynergistic mechanical response of Nylon 6Trogamid R T blends a111 RIVER ST, HOBOKEN 07030-5774, NJ USAbWILEY-BLACKWELLcJUL a65-720 v1293 a

Blends of semicrystalline Nylon 6 with a varying ratios of amorphous Nylon are studied for their morphological, thermal, dielectric, and mechanical behavior. Thermal analysis indicated a compositional dependant decrease in the melting and crystallization temperatures of Nylon 6. The blends exhibited a single compositional dependant glass transition temperature in dynamic mechanical thermal analysis and dielectrical relaxation spectroscopy over entire mixing ratio indicating miscibility between the blend components. The values of flexural modulus and tensile modulus of the blends are found to increase without significant loss in the impact properties. The water absorption of the blends is also lower than the values calculated by rule of mixtures. The observed synergistic behavior of the mechanical properties of the blends is indicative of presence of strong interactions in the blends components. (c) 2012 Wiley Periodicals, Inc. J. Appl. Polym. Sci., 2013

10ablends10adielectric properties10amechanical properties10apolyamides10aThermal properties1 aRidhore, Amol1 aJog, Jyoti, Prakash uhttps://library.ncl.res.in/content/synergistic-mechanical-response-nylon-6trogamid-r-t-blends-001369nas a2200241 4500008004100000022001400041245020500055210006900260260010600329300001200435490000700447520035200454653000800806653002100814653002800835653001500863653003000878100002000908700002300928700002600951700002300977856012701000 2013 eng d a0277-538700aSynthesis and X-ray single crystal structure of a cadmium(II) acetophenone thiosemicarbazone complex and its use as a single-source precursor for the preparation of CdS nanocrystallites and thin films0 aSynthesis and Xray single crystal structure of a cadmiumII aceto aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcSEP a195-2010 v613 a

{A cadmium(II) acetophenone thiosemicarbazone complex has been prepared and characterized by elemental analysis, infrared and nuclear magnetic resonance (H-1 and C-13{H-1}) spectroscopic techniques. Its single crystal structure has also been determined. The compound is found to be monoclinic, space group C2/c, with a = 12.1020(3) angstrom

10aCdS10aNanocrystallites10aSingle source precursor10aThin films10aThiosemicarbazone complex1 aPalve, Anil, M.1 aJoshi, Pranaya, V.1 aPuranik, Vedavati, G.1 aGarje, Shivram, S. uhttps://library.ncl.res.in/content/synthesis-and-x-ray-single-crystal-structure-cadmiumii-acetophenone-thiosemicarbazone-001201nas a2200169 4500008004100000022001400041245015900055210006900214260011000283300001600393490000600409520041800415100003200833700002000865700001900885856012700904 2013 eng d a2046-206900aSynthesis of indolizidine, pyrrolizidine and quinolizidine ring systems by proline-catalyzed sequential alpha-amination and HWE olefination of an aldehyde0 aSynthesis of indolizidine pyrrolizidine and quinolizidine ring s aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcAUG a18288-182910 v33 a

A general procedure for the synthesis of azabicyclic ring systems viz. indolizidine, pyrrolizidine and quinolizidine has been developed utilizing proline-catalyzed sequential alpha-amination and Horner-Wadsworth-Emmons (HWE) olefination of an aldehyde as the key step. This method can be further extended to the synthesis of various biologically active natural products containing azabicyclic ring systems.

1 aKauloorkar, Shruti, Vandana1 aJha, Vishwajeet1 aKumar, Pradeep uhttps://library.ncl.res.in/content/synthesis-indolizidine-pyrrolizidine-and-quinolizidine-ring-systems-proline-catalyzed-001793nas a2200241 4500008004100000022001400041245013800055210006900193260007100262300001600333490000800349520084600357100002101203700002001224700002301244700002201267700002401289700002401313700002601337700003501363700002801398856012501426 2013 eng d a0002-786300aSynthetic zipper peptide motif orchestrated via co-operative interplay of hydrogen bonding, aromatic stacking, and backbone chirality0 aSynthetic zipper peptide motif orchestrated via cooperative inte a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcAUG a11477-114800 v1353 a

Here, we report on a new class of synthetic zipper peptide which assumes its three-dimensional zipper-like structure via a co-operative interplay of hydrogen bonding, aromatic stacking, and backbone chirality. Structural studies carried out in both solid- and solution-state confirmed the zipper-like structural architecture assumed by the synthetic peptide which makes use of unusually remote inter-residual hydrogen-bonding and aromatic stacking interactions to attain its shape. The effect of chirality modulation and the extent of noncovalent forces in the structure stabilization have also been comprehensively explored via single-crystal X-ray diffraction and solution-state NMR studies. The results highlight the utility of noncovalent forces in engineering complex synthetic molecules with intriguing structural architectures.

1 aNair, Roshna, V.1 aKheria, Sanjeev1 aRayavarapu, Suresh1 aKotmale, Amol, S.1 aJagadeesh, Bharatam1 aGonnade, Rajesh, G.1 aPuranik, Vedavati, G.1 aRajamohanan, Pattuparambil, R.1 aSanjayan, Gangadhar, J. uhttps://library.ncl.res.in/content/synthetic-zipper-peptide-motif-orchestrated-co-operative-interplay-hydrogen-bonding-001272nas a2200157 4500008004100000022001400041245009600055210006900151260010600220300001000326490000700336520059900343100002500942700002800967856011900995 2013 eng d a0957-416600aSystematic evaluation of a few proline derivatives as catalysts for a direct aldol reaction0 aSystematic evaluation of a few proline derivatives as catalysts  aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcJAN a43-490 v243 a

A series of pyrrolidine derivatives were prepared and examined as catalysts for an aldol reaction. Structural variations in these molecules involved altering the sterics at the alpha-position, the position of the carbonyl group, and the acidities of the hydrogen bonding sites. The effect of these factors on catalytic activity and enantioselectivity was studied. The experimental results revealed that additional sterics at the alpha-position were detrimental. However, no correlation was found between the catalytic activity and N-H acidity. (C) 2012 Elsevier Ltd. All rights reserved.

1 aSutar, Revannath, L.1 aJoshi, Navalkishore, N. uhttps://library.ncl.res.in/content/systematic-evaluation-few-proline-derivatives-catalysts-direct-aldol-reaction-001568nas a2200205 4500008004100000022001400041245009200055210006900147260010600216300001400322490000700336520074300343653003101086653001701117653001801134653002701152100002801179700002901207856012601236 2013 eng d a0040-403900aTrue water soluble palladium-catalyzed Heck reactions in aqueous-organic biphasic media0 aTrue water soluble palladiumcatalyzed Heck reactions in aqueouso aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcMAY a2733-27360 v543 a

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

10aAqueous biphasic catalysis10aC-C coupling10aHeck reaction10aWater-soluble catalyst1 aJagtap, Sangeeta, Vijay1 aDeshpande, Raj, Madhukar uhttps://library.ncl.res.in/content/true-water-soluble-palladium-catalyzed-heck-reactions-aqueous-organic-biphasic-media-002192nas a2200241 4500008004100000022001400041245010200055210006900157260005700226300001200283490000700295520130800302653002201610653001501632653001601647653002301663653002701686100002601713700002601739700002801765700002501793856013201818 2013 eng d a1615-759100aTwo-stage fermentation process for enhanced mannitol production using Candida magnoliae mutant R90 aTwostage fermentation process for enhanced mannitol production u a233 SPRING ST, NEW YORK, NY 10013 USAbSPRINGERcFEB a193-2030 v363 a

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

10aCandida magnoliae10aD-Mannitol10aMutagenesis10aStrain improvement10aTwo-stage fermentation1 aSavergave, Laxman, S.1 aGadre, Ramchandra, V.1 aVaidya, Bhalchandra, K.1 aJogdand, Vitthal, V. uhttps://library.ncl.res.in/content/two-stage-fermentation-process-enhanced-mannitol-production-using-candida-magnoliae-mutant-000813nas a2200205 4500008004100000022001400041245011200055210006900167260007300236300000800309490000800317100002800325700001900353700003100372700002100403700002100424700002100445700001900466856012200485 2014 eng d a0168-165600aAdvanced cell-based high-throughput screening assays targeting active and latent Mycobacterium tuberculosis0 aAdvanced cellbased highthroughput screening assays targeting act aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcSEP aS180 v1851 aShurpali, Ketaki, Dilip1 aSingh, Upasana1 aSarkar, Shamim, Akhtar Sam1 aMishra, Abhishek1 aKulkarni, Roshan1 aJoshi, Swati, P.1 aSarkar, Dhiman uhttps://library.ncl.res.in/content/advanced-cell-based-high-throughput-screening-assays-targeting-active-and-latent-001991nas a2200289 4500008004100000022001400041245008900055210006900144260009200213300001200305490000700317520096500324653002501289653001501314653002101329653002101350653002801371653001401399100002501413700002201438700002401460700003001484700001901514700002601533700002101559856012101580 2014 eng d a1478-641900aAntifungal dimeric chalcone derivative kamalachalcone E from Mallotus philippinensis0 aAntifungal dimeric chalcone derivative kamalachalcone E from Mal a4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLANDbTAYLOR & FRANCIS LTDcFEB a245-2500 v283 a

From the red coloured extract (Kamala) prepared through acetone extraction of the fresh whole uncrushed fruits of Mallotus philippinensis, one new dimeric chalcone (1) along with three known compounds 1-(5,7-dihydroxy-2,2,6-trimethyl-2H-1-benzopyran-8-yl)-3-phenyl-2-propen -1-one (2), rottlerin (3) and 4 `-hydroxyrottlerin (4) were isolated. The structure of compound 1 was elucidated by 1D and 2D NMR analyses that included HSQC, HMBC, COSY and ROESY experiments along with the literature comparison. Compounds 1-4 were evaluated for antifungal activity against different human pathogenic yeasts and filamentous fungi. The antiproliferative activity of the compounds was evaluated against Thp-1 cell lines. Compounds 1 and 2 both exhibited IC50 of 8, 4 and 16 mu g/mL against Cryptococcus neoformans PRL518, C. neoformans ATCC32045 and Aspergillus fumigatus, respectively. Compound 4, at 100 mu g/mL, showed 54% growth inhibition of Thp-1 cell lines.

10a4 `-hydroxyrottlerin10aantifungal10adimeric chalcone10akamalachalcone E10aMallotus philippinensis10arottlerin1 aKulkarni, Roshan, R.1 aTupe, Santosh, G.1 aGample, Suvarna, P.1 aChandgude, Macchindra, G.1 aSarkar, Dhiman1 aDeshpande, Mukund, V.1 aJoshi, Swati, P. uhttps://library.ncl.res.in/content/antifungal-dimeric-chalcone-derivative-kamalachalcone-e-mallotus-philippinensis-002281nas a2200229 4500008004100000022001400041245013300055210006900188260011000257300001400367490000700381520133800388653002501726653001501751653004201766653001701808100002301825700003001848700002601878700001801904856012901922 2014 eng d a0019-518900aAnti-fungal potentials of extracellular metabolites of western ghats isolated streptomyces sp NII 1006 against moulds and yeasts0 aAntifungal potentials of extracellular metabolites of western gh aDR K S KRISHNAN MARG, PUSA CAMPUS, NEW DELHI 110 012, INDIAbNATL INST SCIENCE COMMUNICATION-NISCAIRcNOV a1138-11460 v523 a

Realization of hazardious effects of chemical fungicides has led to an interest in the usage of biocontrol agents. The present study, therefore, evaluates the biocontrol efficacy of Western Ghats (India) soil bacterial isolates. A potential strain NII 1006 was evaluated for its antagonistic property against a diverse range of moulds and yeasts. The strain was characterized morphologically, biochemically and molecularly, which revealed the isolate belonged to Streptomyces genus. Organic solvent extracts of NII 1006 culture filtrates inhibited the growth of the test pathogens indicating that growth suppression was due to extracellular anti-fungal metabolites present in the culture filtrates. The strain produced extracellular chitinase enzyme in addition to some stable partially purified anti-fungal compounds. Morphological changes such as hyphae degradation into debris and abnormal shapes were observed in test fungi and yeast grown on potato dextrose broth that contained the NII 1006 culture filtrate. The cell free supernatant has a tolerance to wide range of pH, temperature and enzymes such as lipase and protease. The biocontrol potential of NII 1006 strain may be correlated significantly with their ability to produce antibiotics as well as extracellular hydrolytic enzymes particularly chitinolytic enzyme.

10aAnti-fungal activity10aBiocontrol10aExtracellular anti-fungal metabolites10aStreptomyces1 aJayamurthy, Himani1 aSajna, Kuttavan, Valappil1 aDastager, Syed, Gulam1 aPandey, Ashok uhttps://library.ncl.res.in/content/anti-fungal-potentials-extracellular-metabolites-western-ghats-isolated-streptomyces-sp-001256nas a2200181 4500008004100000022001400041245009900055210006900154260007100223300001200294490000700306520054100313100002400854700002100878700002700899700002000926856012800946 2014 eng d a1523-706000aAsymmetric vinylogous mannich reaction of silyloxy furans with N-tert-butanesulfinyl ketimines0 aAsymmetric vinylogous mannich reaction of silyloxy furans with N a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcFEB a648-6510 v163 a

A highly regio- and diastereoselective TMSOTf promoted vinylogous Mannich reaction for the synthesis of chiral quaternary 3-aminooxindole butenolides from 2-silyloxy furans and chiral ketimines is described. The method is found to be very efficient and also provides a facile access to sterically challenging 3-aminooxindole butenolides bearing two quaternary centers in continuation. Further, the versatility of the method is demonstrated by the 1,4-addition of nucleophiles on the sterically congested butenolide substructure..

1 aRao, V., U. Bhaskar1 aJadhav, Amol, P.1 aGarad, Dnyaneshwar, N.1 aSingh, Ravi, P. uhttps://library.ncl.res.in/content/asymmetric-vinylogous-mannich-reaction-silyloxy-furans-n-tert-butanesulfinyl-ketimines-000687nas a2200145 4500008004100000022001400041245015000055210006900205260008000274300000900354490000800363100001900371700002500390856012600415 2014 eng d a0006-349500aAtomistic simulations lend mechanistic insights into plausible ways of perturbing the nucleation thermodynamics of the full-length a beta peptide0 aAtomistic simulations lend mechanistic insights into plausible w a600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USAbBiophys SoccJAN a683A0 v1061 aJana, Asis, K.1 aSengupta, Neelanjana uhttps://library.ncl.res.in/content/atomistic-simulations-lend-mechanistic-insights-plausible-ways-perturbing-nucleation-002031nas a2200241 4500008004100000022001400041245007600055210006900131260010600200300001000306490000800316520116100324653002201485653001901507653001401526100002501540700002301565700002401588700002201612700002301634700002001657856011201677 2014 eng d a0042-207X00aCdS nanowires: ultra-long growth and enhanced field emission properties0 aCdS nanowires ultralong growth and enhanced field emission prope aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcMAR a38-450 v1013 a

Here, we report the synthesis of ultra-long CdS nanowires with aspect ratio similar to 8 x 10(4) by simple route of thermal evaporation technique. A change in the vertical arrangement of quartz boats leads in to the synthesis of ultra-long CdS nanovvires via high degree of condensation. This technique is seen to be cost effective and easy. The growth of the nanowires is found to be increased very rapidly from few micrometers to few millimeters. The possible reason for the growth of the ultra-long CdS nanowires is discussed in detail. The turn-on field defined for the current density of similar to 0.1 mu A/cm(2) has been found to be similar to 1.4, 1.45, 1 and 0.17 V/mu m for specimen A, B, C and D (specimens A-D, synthesized by variation in synthesis parameters) respectively. The turn-on field of the specimen D (similar to 0.17 V/mu m) is found to be quite superior than the value reported for other CdS nanoforms which is very remarkable. Simple way of bulk fabrication leads to the low turn-on value which indicates a possible use of the present emitter in the micro/nanoelectronics devices. (C) 2013 Elsevier Ltd. All rights reserved.

10aCurrent stability10afield emission10asynthesis1 aChavan, Padmakar, G.1 aKashid, Ranjit, V.1 aBadhade, Satish, S.1 aMulla, Imtiaz, S.1 aMore, Mahendra, A.1 aJoag, Dilip, S. uhttps://library.ncl.res.in/content/cds-nanowires-ultra-long-growth-and-enhanced-field-emission-properties-001932nas a2200229 4500008004100000020002200041245006400063210006400127260008300191520117500274653000801449653000801457653001801465653002001483653001401503100001801517700001801535700001801553700002101571700001801592856009201610 2014 eng d a978-1-4799-5364-600aCharacteristics of HRV patterns for different yoga postures0 aCharacteristics of HRV patterns for different yoga postures a345 E 47TH ST, NEW YORK, NY 10017 USAbYASHADA, MDC, IEEE Pune Sect; IEEEcDEC3 a

Human heart rate fluctuates in a complex and non-stationary manner, due to continuous influences from autonomic nervous system and other factors (harmones, temp, etc) on the sinoatrial node (S.A) (Pacemaker of the heart). ANS dysfunction is known to be associated with various cardiovascular and lifestyle diseases. The importance of traditional ancient Indian practice like Yoga has increased significantly due to the observed beneficial effects of it in various lifestyle diseases. Preliminary studies have shown that yoga may have its beneficial effect by influencing autonomic nervous system. Heart rate variability (HRV) is a most promising predictive and prognostic marker of autonomic (ANS) activity. HRV is analyzed by time and frequency domain parameters (Fast Fourier Transform). Being linear parameters these are not able to extract full information regarding the non linear behavior of heart rate fluctuations. In this paper, we propose to analyze HRV by using linear as well as non-linear methods during different yogaasanas. These mathematical models will be useful to understand the underlying physiological mechanisms during different yogasanas.

10aECG10aHRV10aPoincare plot10aRecurrence plot10aYogasanas1 aPitale, Rahul1 aTajane, Kapil1 aPhadke, Leena1 aJoshi, Aniruddha1 aUmale, Jayant uhttps://library.ncl.res.in/content/characteristics-hrv-patterns-different-yoga-postures01035nas a2200193 4500008004100000022001400041245013700055210006900192260011000261300001200371490000700383520021200390100002500602700002200627700001900649700001500668700003000683856012800713 2014 eng d a1359-734500aChemically doped perylene diimide lamellae based field effect transistor with low operating voltage and high charge carrier mobility0 aChemically doped perylene diimide lamellae based field effect tr aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcOCT a326-3280 v503 a

Chemical doping of an electron transporter results in the formation of a radical anion containing semiconductor which showed high electron mobility (13 cm(2) V-1 s(-1)) at low operating voltage (1 V).

1 aArulkashmir, Arulraj1 aJain, Bhanprakash1 aJohn, Jino, C.1 aRoy, Kanak1 aKrishnamoorthy, Kothandam uhttps://library.ncl.res.in/content/chemically-doped-perylene-diimide-lamellae-based-field-effect-transistor-low-operating-001144nas a2200229 4500008004100000022001400041245006200055210006100117260010600178300001400284490000700298520033200305653003200637653000800669653002100677653004300698100001900741700002300760700001600783700001900799856009600818 2014 eng d a0040-403900aChemoselective deprotection of N-allylic amines using DDQ0 aChemoselective deprotection of Nallylic amines using DDQ aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcDEC a7172-71760 v553 a

A highly chemoselective and simple method for the deprotection of N-allylic amines using DDQ has been developed. The use of DDQ in dichloromethane-water provides a mild and efficient one-step deallylation of a wide variety of orthogonally protected tertiary amine derivatives. (C) 2014 Elsevier Ltd. All rights reserved.

10aChemoselective deprotection10aDDQ10aN-Allylic amines10aOrthogonally protected tertiary amines1 aKumar, Pradeep1 aCherian, Shijo, K.1 aJain, Ruchi1 aShow, Krishanu uhttps://library.ncl.res.in/content/chemoselective-deprotection-n-allylic-amines-using-ddq-000714nas a2200205 4500008004100000022001400041245008700055210006900142260000800211300000900219490000700228653003300235653002200268653002600290100001900316700001500335700002500350700002000375856011300395 2014 eng d a2053-273300aCocrystals/salts of Furosemide : Interesting case of colour cocrystal polymorphism0 aCocrystalssalts of Furosemide Interesting case of colour cocryst cMAY aC7240 v7010aColor cocrystal polymorphism10aSandwich assembly10aStacking interactions1 aSangtani, Ekta1 aJha, Kunal1 aMunshi, Parthapratim1 aGonnade, Rajesh uhttps://library.ncl.res.in/content/cocrystalssalts-furosemide-interesting-case-colour-cocrystal-polymorphism01977nas a2200265 4500008004100000022001400041245021300055210006900268260007900337300001000416490001000426520089900436653002301335653002501358653002001383653001901403653001801422100003101440700002401471700002401495700001901519700001901538700002501557856012901582 2014 eng d a0141-022900aCo-immobilized glucose oxidase and beta-galactosidase on bovine serum albumin coated allyl glycidyl ether (AGE)-ethylene glycol dimethacrylate (EGDM) copolymer as a biosensor for lactose determination in milk0 aCoimmobilized glucose oxidase and betagalactosidase on bovine se a360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USAbELSEVIER SCIENCE INCcOCT a67-730 v64-653 a

Bovine serum albumin (BSA) was adsorbed on allyl glycidyl ether (AGE)-ethylene glycol dimethacrylate (EGDM) copolymer with 25% crosslink density (AGE-25) at pH 8.0 (16% w/w). The amino, thiol and carboxylic acid functional groups available on protein coated surface were utilized for covalent immobilization of glucose oxidase and beta-galactosidase, both independently, and in a step-wise manner on the same matrix, with no more than 10% loss of enzyme activity during immobilization. Glutaraldehyde cross-linking after immobilization provided stable enzyme preparations. The pH-optima of the immobilized enzymes were similar to those for free enzyme but their thermal stability was vastly improved. The co-immobilized enzyme support was used as a biosensor for determination of lactose in milk with excellent reproducibility and reusability. (C) 2014 Elsevier Inc. All rights reserved.

10abeta-Galactosidase10aBovine serum albumin10aGlucose oxidase10aImmobilization10aLactose assay1 aJasti, Lakshmi, Swarnalath1 aDola, Sandhya, Rani1 aFadnavis, Nitin, W.1 aAddepally, Uma1 aDaniels, Siona1 aPonrathnam, Surendra uhttps://library.ncl.res.in/content/co-immobilized-glucose-oxidase-and-beta-galactosidase-bovine-serum-albumin-coated-allyl-001929nas a2200229 4500008004100000022001400041245009300055210006900148260010600217300001200323490000800335520110400343653000901447653001501456653001701471653000801488100001701496700002401513700002401537700001801561856012001579 2014 eng d a0038-092X00aComparative study on the dye sensitized solar cell performance of solution processed ZnO0 aComparative study on the dye sensitized solar cell performance o aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcAPR a143-1510 v1023 a

We have monitored the performance of the dye-sensitized solar cells (DSSC) using solution processed ZnO having different shapes and aspect ratios. The aspect ratio and surface area of the ZnO structures have been regulated by carefully controlling the precursor concentration and reaction conditions. The shape of the synthesized structures has been varied from larger rods to smaller rods to hexagonal prisms. The synthesized hexagonal prism shaped ZnO with an aspect ratio of around one exhibited the highest surface area of 42 m(2)/g. The ZnO rods with higher aspect ratios of 5 and 16 exhibited lower surface areas of 22 and 2 m(2)/g, respectively. The dye sensitized solar cells constructed using the as-prepared ZnO structures and N719 dye molecules, exhibited efficiencies that varied as a function of surface area of the samples, with ZnO hexagonal prism exhibiting a maximum efficiency of around 1.38 +/- 0.01%. The results indicated a direct correlation between the surface area of the ZnO structures and the energy conversion efficiency. (C) 2014 Elsevier Ltd. All rights reserved.

10aDSSC10aPhotoanode10asurface area10aZnO1 aJana, Arpita1 aDas, Partha, Pratim1 aAgarkar, Shruti, A.1 aDevi, Sujatha uhttps://library.ncl.res.in/content/comparative-study-dye-sensitized-solar-cell-performance-solution-processed-zno-002020nas a2200265 4500008004100000022001400041245010300055210006900158260007300227300001200300490000800312520108200320653001501402653001701417653001901434653001201453653001201465100003101477700002401508700001901532700001901551700003001570700002501600856012901625 2014 eng d a0927-776500aComparison of polymer induced and solvent induced trypsin denaturation: the role of hydrophobicity0 aComparison of polymer induced and solvent induced trypsin denatu aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcAPR a201-2050 v1163 a

Trypsin adsorption from aqueous buffer by various copolymers of allyl glycidyl ether-ethylene glycol dimethacrylate (AGE-EGDM) copolymer with varying crosslink density increases with increasing crosslink density and the effect slowly wears off after reaching a plateau at 50% crosslink density. The copolymer with 25% crosslink density was reacted with different amines with alkyl/aryl side chains to obtain a series of copolymers with 1,2-amino alcohol functional groups and varying hydrophobicity. Trypsin binding capacity again increases with hydrophobicity of the reacting amine and a good correlation between logP(octanol) of the amine and protein binding is observed. The bound trypsin is denatured to the extent of 90% in spite of the presence of hydrophilic hydroxyl and amino groups. The behavior was comparable to that in mixtures of aqueous buffer and water-miscible organic co-solvents where the solvent concentration required to deactivate 50% of the enzyme (C-50) is dependent on logP(octanol) of the co-solvent. (C) 2014 Elsevier B.V. All rights reserved.

10aAdsorption10aDenaturation10aHydrophobicity10aPolymer10aTrypsin1 aJasti, Lakshmi, Swarnalath1 aFadnavis, Nitin, W.1 aAddepally, Uma1 aDaniels, Siona1 aDeokar, Sarika, Babasaheb1 aPonrathnam, Surendra uhttps://library.ncl.res.in/content/comparison-polymer-induced-and-solvent-induced-trypsin-denaturation-role-hydrophobicity-001699nas a2200241 4500008004100000022001400041245003900055210003800094260008300132300001200215490000600227520095700233653001901190653001901209653002501228653002301253653001501276653002401291100002101315700002201336700002301358856007601381 2014 eng d a2062-249X00aContinuous-flow meerwein arylation0 aContinuousflow meerwein arylation aPRIELLE K U 19, PO BOX 245,, H-1117 BUDAPEST, HUNGARYbAKADEMIAI KIADO RTcDEC a211-2160 v43 a

The continuous-flow Meerwein arylation is demonstrated for a set of few aryl donors (anilines and m-aminoacetophenone) and specific radical acceptors. Homogeneous catalyst (CuBr in HBr and CuCl in HCl) was used to facilitate the reaction. The effect of parameters, viz., temperature, catalyst concentration, residence time, and concentration of the radical acceptor on the yield of the arylated product, was studied. The yield of the aryl derivative obtained by continuous-flow syntheses was always better than the respective experiments in batch mode. Flow synthesis allows easy variation in these parameters and thus allows going close to the maximum possible yields in a system where the relative rates of different reactions create a complex situation. Temperature plays a crucial role by affecting the rates as well as by governing the system homogeneity. The nitrogen bubbles generated in the reaction helped to avoid any channel blockage.

10adiazonium salt10aflow chemistry10ahomogeneous catalyst10aMeerwein arylation10amicromixer10amultistep synthesis1 aBhaya, Vinay, G.1 aJoshi, Ramesh, A.1 aKulkarni, Amol, A. uhttps://library.ncl.res.in/content/continuous-flow-meerwein-arylation-001129nas a2200229 4500008004100000022001400041245009900055210006900154260007500223300001400298490000700312520030800319653001400627653001400641653001900655653001600674653002300690653002000713100002000733700001900753856012700772 2014 eng d a0936-521400aCroncise organocatalytic route to protected (2S, 4R)-4-hydroxyornithine and(+)-pseudohygroline0 aCroncise organocatalytic route to protected 2S 4R4hydroxyornithi aRUDIGERSTR 14, D-70469 STUTTGART, GERMANYbGEORG THIEME VERLAG KGcMAY a1089-10920 v253 a

A practical, efficient, and organocatalytic approach to the synthesis of (2S,4R)-4-hydroxyornithine and (+)-pseudohygroline is reported using proline-catalyzed sequential alpha-aminoxylation/alpha-amination reaction and Horner-Wadsworth-Emmons olefination reaction of an aldehyde as the key step.

10aaldehydes10aAmination10aAmino alcohols10acyclization10aEnantioselectivity10aWittig reaction1 aJha, Vishwajeet1 aKumar, Pradeep uhttps://library.ncl.res.in/content/croncise-organocatalytic-route-protected-2s-4r-4-hydroxyornithine-and-pseudohygroline-002706nas a2200169 4500008004100000022001400041245013100055210006900186260009100255300002600346490000600372520195800378100001902336700002402355700002502379856013202404 2014 eng d a1932-620300aCross dimerization of amyloid-beta and alpha synuclein proteins in aqueous environment: a molecular dynamics simulations study0 aCross dimerization of amyloidbeta and alpha synuclein proteins i a1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USAbPUBLIC LIBRARY SCIENCEcSEP aArticle No. : e1068830 v93 a

Self-assembly of the intrinsically unstructured proteins, amyloid beta (A beta) and alpha synclein (alpha Syn), are associated with Alzheimer's Disease, and Parkinson's and Lewy Body Diseases, respectively. Importantly, pathological overlaps between these neurodegenerative diseases, and the possibilities of interactions between A beta and alpha Syn in biological milieu emerge from several recent clinical reports and in vitro studies. Nevertheless, there are very few molecular level studies that have probed the nature of spontaneous interactions between these two sequentially dissimilar proteins and key characteristics of the resulting cross complexes. In this study, we have used atomistic molecular dynamics simulations to probe the possibility of cross dimerization between alpha Syn(1-95) and A beta(1-42), and thereby gain insights into their plausible early assembly pathways in aqueous environment. Our analyses indicate a strong probability of association between the two sequences, with inter-protein attractive electrostatic interactions playing dominant roles. Principal component analysis revealed significant heterogeneity in the strength and nature of the associations in the key interaction modes. In most, the interactions of repeating Lys residues, mainly in the imperfect repeats `KTKEGV' present in alpha Syn(1-95) were found to be essential for cross interactions and formation of inter-protein salt bridges. Additionally, a hydrophobicity driven interaction mode devoid of salt bridges, where the non-amyloid component (NAC) region of alpha Syn(1-95) came in contact with the hydrophobic core of A beta(1-42) was observed. The existence of such hetero complexes, and therefore hetero assembly pathways may lead to polymorphic aggregates with variations in pathological attributes. Our results provide a perspective on development of therapeutic strategies for preventing pathogenic interactions between these proteins.

1 aJose, Jaya, C.1 aChatterjee, Prathit1 aSengupta, Neelanjana uhttps://library.ncl.res.in/content/cross-dimerization-amyloid-beta-and-alpha-synuclein-proteins-aqueous-environment-molecular-001530nas a2200205 4500008004100000022001400041245005600055210005600111260010500167300001200272490000700284520083400291653001301125653002001138653001701158100002201175700002001197700002001217856008701237 2014 eng d a2083-133100aCVD synthesis of graphene nanoplates on MgO support0 aCVD synthesis of graphene nanoplates on MgO support aWYBRZEZE WYSPIANSKIEGO 27, 50-370 WROCLAW, POLANDbOFICYNA WYDAWNICZA POLITECHNIKI WROCLAWSKIEJcJUN a243-2460 v323 a

Synthesis of graphene directly on MgO has been carried out and the structural properties of the obtained material have been investigated. Few-layered graphene was produced by simple thermal decomposition of methane over MgO powder at 950 A degrees C in a CVD reactor. The samples were purified by 10 N HNO3 treatment, and studied by TEM, Raman spectroscopy, EDAX and SEM. TEM clearly indicated the formation of graphene. EDAX showed that the purified sample contained only carbon and no traces of MgO. The characteristic Raman features of graphene were also seen as D-band at 1316 cm(-1), G-band at 1602 cm(-1), and a small 2D-band at 2700 cm(-1) in the Raman spectra. The strong D-band suggests that the graphene possess large number of boundary defects. The small 2D-band indicates the formation of few-layered graphene.

10agraphene10amagnesium oxide10ananographene1 aJugade, Ravin, M.1 aSharma, Shalini1 aGokhale, Suresh uhttps://library.ncl.res.in/content/cvd-synthesis-graphene-nanoplates-mgo-support-002057nas a2200217 4500008004100000245008000041210006900121260011700190300003200307490000900339520122200348100001701570700002201587700002501609700002001634700002001654700002201674700001801696700001701714856010801731 2014 eng d00aDesign and engineering of organic molecules for customizable terahertz tags0 aDesign and engineering of organic molecules for customizable ter aSan Francisco, CAbSPIE-Int Soc Optical Engineering, 1000 20th ST, PO Box 10, Bellingham, WA 98227-0010 USAcFEB aArticle Number: UNSP 89850P0 v89853 a

Terahertz (THz) frequency band lies between the microwave and infrared region of the electromagnetic spectrum. Molecules having strong resonances in this frequency range are ideal for realizing "Terahertz tags" which can be easily incorporated into various materials. THz spectroscopy of molecules, especially at frequencies below 10 THz, provides valuable information on the low frequency vibrational modes, viz. intermolecular vibrational modes, hydrogen bond stretching, torsional vibrations in several chemical and biological compounds. So far there have been very few attempts to engineer molecules which can demonstrate customizable resonances in the THz frequency region. In this paper, Diamidopyridine (DAP) based molecules are used as a model system to demonstrate engineering of THz resonances (< 10 THz) by fine-tuning the molecular mass and bond strengths. Density Functional Theory (DFT) simulations have been carried out to explain the origin of THz resonances and factors contributing to the shift in resonances due to the addition of various functional groups. The design approach presented here can be easily extended to engineer various organic molecules suitable for THz tags application.

1 aRay, Shaumik1 aDash, Jyotirmayee1 aNallappan, Kathirvel1 aKaware, Vaibhav1 aBasutkar, Nitin1 aAmbade, Ashootosh1 aJoshi, Kavita1 aPesala, Bala uhttps://library.ncl.res.in/content/design-and-engineering-organic-molecules-customizable-terahertz-tags01782nas a2200277 4500008004100000022001400041245011000055210006900165260010200234300001200336490000800348520074900356653001701105653001501122653003501137653002301172100002901195700001901224700002301243700002601266700001701292700002001309700002701329700002101356856012701377 2014 eng d a0974-362600aDesign, synthesis and cytotoxicity of novel N-benzylpiperidin-4-one oximes on human cervical cancer cells0 aDesign synthesis and cytotoxicity of novel Nbenzylpiperidin4one  aC V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIAbINDIAN ACAD SCIENCEScMAY a861-8730 v1263 a

A series of fifteen diversified N-benzylpiperidin-4-one oximes were synthesized and characterized by their NMR spectral data. Additionally, single-crystal XRD analysis was performed for the representative symmetrically and unsymmetrically substituted molecules. All the synthesized oximes from unsymmetrical ketones existed as E-isomer as witnessed by their NMR and XRD data. Among the synthesized target compounds that evaluated for their in vitro cytotoxicity against human cervical carcinoma (HeLa) cells, five compounds were potent with IC50 < 17 mu M. 1-Benzyl-2,6-bis(4-isopropylphenyl)-3-methylpiperidin-4-one oxime 3c with an IC50 of 13.88 mu M was found to be the best active compound as depicted by the microscopic analysis.

10aCytotoxicity10aHeLa cells10aN-benzylpiperidin-4-one oximes10asingle-crystal XRD1 aDindulkar, Someshwar, D.1 aBhatnagar, Ira1 aGawade, Rupesh, L.1 aPuranik, Vedavati, G.1 aKim, Se-Kwon1 aAnh, Dong, Hyun1 aParthiban, Paramasivam1 aJeong, Yeon, Tae uhttps://library.ncl.res.in/content/design-synthesis-and-cytotoxicity-novel-n-benzylpiperidin-4-one-oximes-human-cervical-002205nas a2200229 4500008004100000022001400041245014400055210006900199260010600268300001000374490000800384520127700392653002001669653002501689653002901714653001401743653002601757100002201783700002101805700002001826856012901846 2014 eng d a0031-942200aDifferential antibiosis against helicoverpa armigera exerted by distinct inhibitory repeat domains of capsicum annuum proteinase inhibitors0 aDifferential antibiosis against helicoverpa armigera exerted by  aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcMAY a16-220 v1013 a

Plant defensive serine proteinase inhibitors (Pis) are known to have negative impact on digestive physiology of herbivore insects and thus have a crucial role in plant protection. Here, we have assessed the efficacy and specificity of three previously characterized inhibitory repeat domain (IRD) variants from Capsicum annuum PIs viz., IRD-7, -9 and -12 against gut proteinases from Helicoverpa armigera. Comparative study of in silico binding energy revealed that IRD-9 possesses higher affinity towards H. armigera serine proteinases as compared to IRD-7 and -12. H. armigera fed on artificial diet containing 5 TIU/g of recombinant IRD proteins exhibited differential effects on larval growth, survival rate and other nutritional parameters. Major digestive gut trypsin and chymotrypsin genes were down regulated in the IRD fed larvae, while few of them were up-regulated, this indicate alterations in insect digestive physiology. The results corroborated with proteinase activity assays and zymography. These findings suggest that the sequence variations among Pis reflect in their efficacy against proteinases in vitro and in vivo, which also could be used for developing tailor-made multi-domain inhibitor gene(s). (C) 2014 Elsevier Ltd. All rights reserved.

10aCapsicum annuum10aHelicoverpa armigera10aInhibitory repeat domain10aProteases10aProteinase inhibitors1 aJoshi, Rakesh, S.1 aGupta, Vidya, S.1 aGiri, Ashok, P. uhttps://library.ncl.res.in/content/differential-antibiosis-against-helicoverpa-armigera-exerted-distinct-inhibitory-repeat-001339nas a2200157 4500008004100000022001400041245012400055210006900179260011000248300001400358490000600372520064000378100001701018700001901035856012701054 2014 eng d a2046-206900aDimethyl homophthalates to naphthopyrans: the total synthesis of arnottin I and the formal synthesis of (-)-arnottin II0 aDimethyl homophthalates to naphthopyrans the total synthesis of  aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcJAN a5531-55350 v43 a

A simple and efficient 3-step synthetic protocol has been reported for dimethyl homophthalates to naphthopyrans. Starting from dimethyl 2,3-dimethoxyhomophthalate, a practical synthesis of arnottin I has been described via a base catalyzed mono-alkylation, the selective hydrolysis of an aliphatic ester moiety, two consecutive intramolecular cyclizations and an oxidative aromatization pathway with a very good overall yield. The involved intramolecular acylation followed by an associated enolative lactonization was the decisive step. The synthesis of dihydroarnottin I also completes the formal synthesis of (-)-arnottin II.

1 aJangir, Ravi1 aArgade, N., P. uhttps://library.ncl.res.in/content/dimethyl-homophthalates-naphthopyrans-total-synthesis-arnottin-i-and-formal-synthesis-001761nas a2200253 4500008004100000022001400041245006500055210006400120260007900184300001200263490000600275520092900281653001701210653003001227653001701257653001401274653001401288100001901302700002001321700002201341700002201363700002301385856009901408 2014 eng d a2191-954200aDiscontinuous two step flow synthesis of m-aminoacetophenone0 aDiscontinuous two step flow synthesis of maminoacetophenone aGENTHINER STRASSE 13, D-10785 BERLIN, GERMANYbWALTER DE GRUYTER GMBHcAUG a279-2850 v33 a

The continuous flow nitration of acetophenone followed by reduction of the meta isomer has been demonstrated using simple tubular reactors. Because of ease of separation of the desired isomer from the first step, both steps are made continuous, but separately. The continuous flow nitration was carried out in a safe manner in a shorter reaction time than the conventional approach. The choice of micromixer was seen to affect the performance of the nitration reaction. The effect of different parameters on the yield of the desired product was studied. The reduction step with sodium sulfide was found to be economical and could be carried out efficiently at 70 degrees C using sodium sulfide in ethanol, using a silicone tube. Both steps were demonstrated for several hours, yielding a sufficiently large quantity (similar to 100 g) of m-aminoacetophenone at lab scale in a single day using simple tubular reactors.

10aacetophenone10acontinuous flow synthesis10amicroreactor10anitration10areduction1 aTibhe, Jagdish1 aSharma, Yachita1 aJoshi, Ramesh, A.1 aJoshi, Rohini, R.1 aKulkarni, Amol, A. uhttps://library.ncl.res.in/content/discontinuous-two-step-flow-synthesis-m-aminoacetophenone-002129nas a2200253 4500008004100000022001400041245012800055210006900183260007700252300001400329490000600343520121900349653001301568653001101581653001501592653001301607653001401620100002101634700002001655700002501675700001901700700002901719856012701748 2014 eng d a1867-388000aEffect of composition and pretreatment parameters on activity and stability of Cu-Al catalysts for water-gas shift reaction0 aEffect of composition and pretreatment parameters on activity an aBOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANYbWILEY-V C H VERLAG GMBHcJUN a1698-17060 v63 a

We investigated various Cu species responsible for highly efficient Cu-Al oxide catalyst for the water-gas shift reaction (WGSR). The formation of various Cu species was achieved by systematically varying the Cu-Al composition in the coprecipitated mixed Cu-Al oxides. The Cu-Al composition of 70:30 (Cu-Al-7) was the best for WGSR using the reformate gas composition. In addition, the Cu-Al-7 catalyst reduced under 100% H-2, was relatively stable with time on stream of 100 h, at higher gas hourly space velocity of 36201 h(-1). The structural investigation of our coprecipitated catalysts with varying Cu-Al compositions revealed the formation of nonzero oxidation state copper and metallic Cu to be essential for the observed WGSR activity. In addition, the highest activity and stability of Cu-Al-7 catalysts reduced under 100% H-2 at lower temperature was attributed to particle-size stabilization and a lower extent of Cu aggregation by Cu2O and boehmite phases, respectively, along with the formation of various Cu species during the activation protocol for 12 h. Complete CO2 selectivity without methanation was observed for all the Cu-Al compositions irrespective of their pretreatment conditions.

10aaluminum10aCopper10afuel cells10aHydrogen10areduction1 aMane, Rasika, B.1 aJeong, Dae-Woon1 aMalawadkar, Atul, V.1 aRoh, Hyun-Seog1 aRode, Chandrashekhar, V. uhttps://library.ncl.res.in/content/effect-composition-and-pretreatment-parameters-activity-and-stability-cu-al-catalysts-002066nas a2200265 4500008004100000022001400041245014100055210006900196260007300265300001200338490000800350520112500358653002201483653001501505653002001520653000801540653002101548100002001569700001401589700001801603700001801621700001501639700001701654856012901671 2014 eng d a0926-860X00aEffect of preparation parameters on characterization and activity of Co3O4 catalyst in liquid phase oxidation of lignin model substrates0 aEffect of preparation parameters on characterization and activit aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcOCT a130-1380 v4873 a

The nano structured spinel cobalt oxide (Co3O4) was prepared via simple co-precipitation method and its catalytic activity was evaluated for the liquid phase aerobic oxidation of lignin sub structure compounds such as veratryl alcohol. Catalyst preparation parameters influenced its morphology eventually affecting its oxidation activity. Thus, nano rod shaped CO3O4 catalyst showed 75% and 38% conversion of veratryl alcohol with complete selectivity to veratryl aldehyde in toluene and water, respectively, under base free condition. The influence of reaction conditions, such as temperature, oxygen pressure and catalyst loading was studied to obtain the optimum product yield and selectivity to the desired product. Furthermore, oxidation of various sub-structures of lignin model compounds was also studied over the same catalyst which was found to be in the following order: secondary alcohol >di-substituted > tri-substituted > monosubstituted > non-substitution. The stability of the catalyst was confirmed by its successful recycle for three times. (c) 2014 Elsevier B.V. All rights reserved.

10aConiferyl alcohol10aNano Co3O410aSinapyl alcohol10aTPR10aVeratryl alcohol1 aMate, Vivek, R.1 aJha, Ajay1 aJoshi, U., D.1 aPatil, K., R.1 aShirai, M.1 aRode, C., V. uhttps://library.ncl.res.in/content/effect-preparation-parameters-characterization-and-activity-co3o4-catalyst-liquid-phase-001482nas a2200265 4500008004100000022001400041245013700055210006900192260007300261300001000334490000700344520051800351653001800869653002200887653002100909653001300930653001900943100002100962700002200983700002201005700002401027700001801051700001701069856013001086 2014 eng d a1566-736700aEffect of SnO2/Al2O3 ratio of Si-based MFI on its acidity and hydrophobicity: application in selective hydroxyalkylation of p-cresol0 aEffect of SnO2Al2O3 ratio of Sibased MFI on its acidity and hydr aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcJAN a29-340 v443 a

Silica based MR type molecular sieves with various SnO2/Al2O3 ratios were synthesized from gels having molar compositions SiO2:xSnO(2):yAl(2)O(3):0.23(TPA)(2)O:35H(2)O where 0 <= x <= 0.02 and 0 <= y <= 0.01. Recyclable, Al-free Sn-MFI catalyst showed 31% conversion of formaldehyde with 100% selectivity to 2,2'-methylenebis(4-methylphenol) in hydroxyalkylation of p-cresol with formaldehyde on account of moderate acidity and higher hydrophobicity. (C) 2013 Elsevier B.A. All rights reserved.

10aAl-27 MAS NMR10aHydroxyalkylation10aMolecular sieves10ap-Cresol10aStannosilicate1 aGarade, Ajit, C.1 aMalwadkar, A., V.1 aNiphadkar, P., S.1 aJha, Ratnesh, Kumar1 aJoshi, P., N.1 aRode, C., V. uhttps://library.ncl.res.in/content/effect-sno2al2o3-ratio-si-based-mfi-its-acidity-and-hydrophobicity-application-selective-001820nas a2200181 4500008004100000022001400041245014200055210006900197260007100266300001600337490000700353520106200360100002101422700002001443700002301463700002601486856012601512 2014 eng d a0888-588500aEfficient conversion of cellulose to levulinic acid by hydrothermal treatment using zirconium dioxide as a recyclable solid acid catalyst0 aEfficient conversion of cellulose to levulinic acid by hydrother a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcDEC a18796-188050 v533 a

Conversion of cellulose into platform chemicals is essential for sustainable development of the chemical industry. With this aim, single step hydrothermal conversion of cellulose to industrially important levulinic acid using zirconium dioxide as a catalyst has been investigated. A remarkably high yield (53.9 mol %) of levulinic acid with excellent accountability and total conversion of cellulose has been achieved at 180 degrees C reaction temperature and reaction time of 3 h with 2 wt % of catalyst and 2 g of cellulose. The major products identified were levulinic acid (LA), formic acid (FA), 5-hydroxymethylfurfural (5-HMF), furfural, and humins. Formation of humins during cellulose hydrolysis and dehydration was observed and is also confirmed by NMR and FTIR analysis. The effect of various reaction parameters such as temperature, time, substrate concentration, and catalyst loading on conversion and selectivity has been studied. The catalyst has been regenerated and recycled several times without any loss of activity and selectivity.

1 aJoshi, Sunil, S.1 aZodge, Amit, D.1 aPandare, Kiran, V.1 aKulkarni, Bhaskar, D. uhttps://library.ncl.res.in/content/efficient-conversion-cellulose-levulinic-acid-hydrothermal-treatment-using-zirconium-001405nas a2200241 4500008004100000022001400041245012000055210006900175260010600244300001400350490000700364520046500371653002100836653002500857653001900882653001600901653001700917100002900934700002600963700002700989700002101016856012601037 2014 eng d a0040-403900aEfforts towards the synthesis of microsporin B: ready access to both the enantiomers of the key amino acid fragment0 aEfforts towards the synthesis of microsporin B ready access to b aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcAUG a4777-47790 v553 a

Both the isomers methyl-(2S,8R)-2-((tert-butoxycarbonyl)amino)-8-hydroxydecanoate and methyl-(2S,8S)-2-((tert-butoxycarbonyl)amino)-8-hydroxydecanoate of an unusual amino acid residue and the key fragment of microsporin B are prepared. The key steps include cross metathesis and enzymatic kinetic resolution. In addition, a linear tetrapeptide with desired components towards total synthesis is also reported. (C) 2014 Elsevier Ltd. All rights reserved.

10aCross metathesis10aEnzymatic resolution10aHDAC inhibitor10aMicrosporin10aTetrapeptide1 aSwaroop, Pandrangi, Siva1 aTripathy, Sibanarayan1 aJachak, Gorakhnath, R.1 aReddy, Srinivasa uhttps://library.ncl.res.in/content/efforts-towards-synthesis-microsporin-b-ready-access-both-enantiomers-key-amino-acid-002511nas a2200193 4500008004100000022001400041245010000055210006900155260011000224300001600334490000700350520170600357100002502063700001802088700002302106700002802129700003002157856013002187 2014 eng d a1463-907600aElectronic structure-sunlight driven water splitting activity correlation of (Zn1-yGay)(O1-zNz)0 aElectronic structuresunlight driven water splitting activity cor aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcSEP a23654-236620 v163 a

(Zn1-yGay)(O1-zNz) (y <= 0.10; z <= 0.15) solid solutions have been investigated for their electronic structure and visible light photocatalytic activity, and a correlation was found between them. (Zn1-yGay)(O1-zNz) with ZnO as the major component have been synthesized by a solution combustion method in 10 minutes using simple raw materials. The local structures of Zn K edge and Ga K edge, and changes in the chemical environment with the incorporation of Ga and N in ZnO were determined by EXAFS study. EXAFS and XRD results suggested the dissolution of GaN in the ZnO lattice. The homogeneity of the solid solution was demonstrated from HRTEM studies. Photoluminescence studies revealed the creation of a new band at the top of the ZnO valence band (VB), and thus the broadening of the VB of (Zn1-yGay)(O1-zNz) or a decrease in the band gap was attributed to the origin of visible light absorption. UV-Vis spectral studies showed light absorption up to 550 nm, which directly supports the VB broadening. Predominant oxygen vacancies and high photocorrosion observed for ZnO were fully suppressed for (Zn1-yGay)(O1-zNz) , indicating the minimization of defects, and thus more sustainability under irradiation conditions. The bare solid solution exhibited reasonable and promising activity for solar hydrogen evolution and photoelectrochemical current generation at 0 V. The present work explained factors such as the preparation method, single phase structure with the stabilization of integral parts, homogeneity in the structure, compensation of oxygen vacancies, and suppression of the density of recombination centres that play a pivotal role in realizing solar energy harvesting.

1 aRajaambal, Sivaraman1 aYadav, A., K.1 aJha, Shambhu, Nath1 aBhattacharyya, Dibyendu1 aGopinath, Chinnakonda, S. uhttps://library.ncl.res.in/content/electronic-structure-sunlight-driven-water-splitting-activity-correlation-zn1-ygayo1-znz-002123nas a2200241 4500008004100000022001400041245008600055210006900141260012500210300001100335490000800346520120400354100002601558700002601584700002301610700002001633700002301653700002201676700002301698700002101721700002401742856011501766 2014 eng d a0003-695100aEnhanced field emission properties of doped graphene nanosheets with layered SnS20 aEnhanced field emission properties of doped graphene nanosheets  aCIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USAbAMER INST PHYSICScJUL a0431090 v1053 a

We report here our experimental investigations on p-doped graphene using tin sulfide (SnS2), which shows enhanced field emission properties. The turn on field required to draw an emission current density of 1 mu A/cm(2) is significantly low (almost half the value) for the SnS2/reduced graphene oxide (RGO) nanocomposite (2.65 V/mu m) compared to pristine SnS2 (4.8 V/mu m) nanosheets. The field enhancement factor beta (similar to 3200 for the SnS2 and similar to 3700 for SnS2/RGO composite) was calculated from Fowler-Nordheim (F-N) plots, which indicates that the emission is from the nanometric geometry of the emitter. The field emission current versus time plot shows overall good emission stability for the SnS2/RGO emitter. The magnitude of work function of SnS2 and a SnS2/graphene composite has been calculated from first principles density functional theory (DFT) and is found to be 6.89 eV and 5.42 eV, respectively. The DFT calculations clearly reveal that the enhanced field emission properties of SnS2/RGO are due to a substantial lowering of the work function of SnS2 when supported by graphene, which is in response to p-type doping of graphene. (C) 2014 AIP Publishing LLC.

1 aRout, Chandra, Sekhar1 aJoshi, Padmashree, D.1 aKashid, Ranjit, V.1 aJoag, Dilip, S.1 aMore, Mahendra, A.1 aSimbeck, Adam, J.1 aWashington, Morris1 aNayak, Saroj, K.1 aLate, Dattatray, J. uhttps://library.ncl.res.in/content/enhanced-field-emission-properties-doped-graphene-nanosheets-layered-sns2-001079nas a2200181 4500008004100000022001400041245011000055210006900165260011000234300001400344490000700358520032800365100001700693700002300710700001900733700002000752856012500772 2014 eng d a1466-803300aEnhancement of CO2 uptake in iso-reticular Co based zeolitic imidazolate frameworks via metal replacement0 aEnhancement of CO2 uptake in isoreticular Co based zeolitic imid aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcJUN a4677-46800 v163 a

Three Co based Zeolitic Imidazolate Frameworks (Co-ZIF-68, -69 and -81) which adopt a GME topology with high porosity have been synthesized. These Co-ZIFs show high CO2 (273 K/298 K) uptake compared to their isostructural Zn based analogues, which has been proved experimentally as well as by ab initio calculations.

1 aPanda, Tamas1 aGupta, Krishna, M.1 aJiang, Jianwen1 aBanerjee, Rahul uhttps://library.ncl.res.in/content/enhancement-co2-uptake-iso-reticular-co-based-zeolitic-imidazolate-frameworks-metal-001624nas a2200241 4500008004100000022001400041245011300055210006900168260007300237300001200310490000700322520073500329653001901064653002101083653001801104653001701122653003201139100001801171700002201189700002201211700001801233856013101251 2014 eng d a1566-736700aEsterification of levulinic acid to ethyl levulinate over bimodal micro-mesoporous H/BEA zeolite derivatives0 aEsterification of levulinic acid to ethyl levulinate over bimoda aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcJAN a188-1910 v433 a

A series of bimodal micro-mesoporous H/BEA zeolite derivatives were prepared by the post-synthesis modification of H/BEA zeolite by NaOH (0.05 M-1.2 M) treatment Samples were characterized by powder XRD, low temperature nitrogen adsorption/desorption, temperature programmed desorption of ammonia and ICP. The mesopore formation was found to play a crucial role in liquid phase esterification of levulinic acid with ethanol. The enhanced catalytic activity of a bimodal micro-mesoporous H/BEA zeolite derivative (H/BEA(0.10)) prepared by treatment with 0.1M NaOH can be mainly attributed to the high mesoporosity coupled with better preserved crystallinity and acidic properties. (C) 2013 Elsevier B.V. All rights reserved.

10aEsterification10aethyl levulinate10aH/BEA zeolite10aMesoporosity10aPost-synthesis modification1 aPatil, C., R.1 aNiphadkar, P., S.1 aBokade, Vijay, V.1 aJoshi, P., N. uhttps://library.ncl.res.in/content/esterification-levulinic-acid-ethyl-levulinate-over-bimodal-micro-mesoporous-hbea-zeolite-001209nas a2200157 4500008004100000022001400041245008700055210006900142260007300211300001200284490000800296520059000304100002200894700001800916856011700934 2014 eng d a0009-261400aExtended coupled cluster method for potential energy surface: a decoupled approach0 aExtended coupled cluster method for potential energy surface a d aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcSEP a209-2130 v6123 a

Extended coupled cluster (ECC) method has been implemented extensively for the calculation of molecular properties. In this Letter we report the potential energy surface (PES) study using coupled and a decoupled approximation of ECC. HF, N-2 and C-2 are studied as test systems. N-2 and C-2 being doubly and triply bonded, are considered to be interesting systems for PES study. We compare our results with full CI (FCI) results wherever available. Decoupled approach within ECC framework shows good convergence for all the molecules. (C) 2014 Elsevier B.V. All rights reserved.

1 aJoshi, Sayali, P.1 aVaval, Nayana uhttps://library.ncl.res.in/content/extended-coupled-cluster-method-potential-energy-surface-decoupled-approach-001590nas a2200217 4500008004100000022001400041245006700055210006500122260011000187300001400297490000700311520080700318100002201125700001801147700002601165700002201191700001601213700003001229700002001259856009301279 2014 eng d a1144-054600aFacile method for the synthesis of Co-core Au-shell nanohybrid0 aFacile method for the synthesis of Cocore Aushell nanohybrid aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcSEP a4107-41140 v383 a

Heterostructured Co-Au core-shell nanoparticles have been synthesized by reducing AuCl4- ions on cobalt nanoparticles after a minor but effective modification of cobalt surface by an amine. The core shell morphology is emphatically confirmed by thorough investigation through UV-Vis spectroscopy, X-ray photoelectron spectroscopy (XPS), and transmission electron microscopic analysis (TEM). The chemical composition and topography were determined using STEM-HAADF analysis and EFTEM imaging. Fourier transform infrared (FTIR) spectroscopy confirms the surface modification of Co nanoparticles and the interactions involved between the ligands and the core and shell metals at various steps of the synthetic process. The magnetic properties confirm the material to be superparamagnetic in nature.

1 aSardar, Debasmita1 aNeogi, S., K.1 aBandyopadhyay, Sanjoy1 aSatpati, Biswarup1 aJain, Ruchi1 aGopinath, Chinnakonda, S.1 aBala, Tanushree uhttps://library.ncl.res.in/content/facile-method-synthesis-co-core-au-shell-nanohybrid-001890nas a2200181 4500008004100000022001400041245010100055210006900156260005700225300001400282490000700296520118100303100002201484700002101506700002601527700002501553856013001578 2014 eng d a0022-246100aFacile room temperature synthesis of ZnO nanoflower thin films grown at a solid-liquid interface0 aFacile room temperature synthesis of ZnO nanoflower thin films g a233 SPRING ST, NEW YORK, NY 10013 USAbSPRINGERcSEP a5945-59540 v493 a

Hierarchical ZnO films consisting of nanoflower particulates are successfully grown by a solid-liquid interface reaction technique at room temperature without additives like surfactants, capping agent, or complexing agent. The structural, morphological, and photocatalytic properties of these films are studied using scanning electron microscopy (SEM), energy dispersive X-ray analysis (EDX), transmission electron microscopy (TEM), X-ray photoelectron spectroscopy (XPS), X-ray diffraction (XRD), and UV-Vis spectroscopy. The nucleation, growth processes and hence the resulting morphology of the end product can be regulated by changing the concentration of LiOH and the time of reaction. SEM throws light on the chronology of the flower formation by studying the intermediate morphology. Electron microscopy results indicated that these ZnO nanostructures self-assembled to produce flower-like nanostructures. The highest photocatalytic efficiency was observed for the films prepared at the concentration of LiOH 0.5 mg/mL in ethanol at 24 h. On the basis of the results, a plausible growth mechanism for the formation of flower-like ZnO nanostructures is discussed.

1 aJadhav, Aarti, H.1 aPatil, Sagar, H.1 aSathaye, Shivaram, D.1 aPatil, Kashinath, R. uhttps://library.ncl.res.in/content/facile-room-temperature-synthesis-zno-nanoflower-thin-films-grown-solid-liquid-interface-001117nas a2200229 4500008004100000022001400041245008100055210006900136260007500205300001400280490000700294520030400301653001600605653002200621653002000643653002700663653002900690100001700719700002100736700001900757856011100776 2014 eng d a0039-788100aFacile synthesis of the isoquinoline alkaloids doryanine and oxyhydrastinine0 aFacile synthesis of the isoquinoline alkaloids doryanine and oxy aRUDIGERSTR 14, D-70469 STUTTGART, GERMANYbGEORG THIEME VERLAG KGcJUL a1954-19560 v463 a

Starting from 4,5-(methylenedioxy)homophthalic acid, a concise and efficient synthesis of the isoquinoline alkaloids dory-anine and oxyhydrastinine is described via the corresponding homophthalimide utilizing a one-pot regioselective reductive dehydration and catalytic hydrogenation pathway.

10adehydration10ahomophthalic acid10ahomophthalimide10aisoquinoline alkaloids10aregioselective reduction1 aJangir, Ravi1 aGadre, Smita, R.1 aArgade, N., P. uhttps://library.ncl.res.in/content/facile-synthesis-isoquinoline-alkaloids-doryanine-and-oxyhydrastinine-001313nas a2200157 4500008004100000022001400041245006700055210006700122260007300189300001000262490000800272520073600280100001601016700002501032856009801057 2014 eng d a0009-261400aFerromagnetism at room temperature in activated graphene oxide0 aFerromagnetism at room temperature in activated graphene oxide aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcJUN a89-920 v6053 a

High room temperature ferromagnetic moment with high Curie temperature (>700 K) for graphene oxide (GO) is obtained by a simple chemical activation using phosphoric acid followed by heat treatment at 800 degrees C. The field and temperature variations of the magnetization data indicate ferromagnetic, paramagnetic and diamagnetic contributions in the acid/heat treated sample. IR spectroscopic studies suggest hydrogenation (reduction) of GO after the acid and heat treatments. The results point to the role of defects, extent of hydrogenation, changes in the bonding characteristics and the nature of the functional groups in determining the different magnetic contributions. (C) 2014 Elsevier B.V. All rights reserved.

1 aRaj, Govind1 aJoy, Pattayil, Alias uhttps://library.ncl.res.in/content/ferromagnetism-room-temperature-activated-graphene-oxide-001503nas a2200277 4500008004100000022001400041245010300055210006900158260010600227300001400333490000700347520050800354653001100862653001700873653002000890653001900910653001300929100002200942700002100964700002400985700002201009700002201031700002201053700002001075856013001095 2014 eng d a0040-403900aFirst iodocyclization reaction of allene-thioureas: an efficient approach to bicyclic beta-lactams0 aFirst iodocyclization reaction of allenethioureas an efficient a aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcOCT a5998-60000 v553 a

The regioselective iodocyclization reaction of allene-thioureas is described, for the first time, for the synthesis of bicyclic beta-lactams. The substitution at the allenyl part heavily influenced the iodocyclization reaction. The iodocyclization reaction of the unsubstituted allene-thioureas afforded six-membered 3-thia-1-dethiacephems whereas, the substituted allene-thiourea afforded seven-membered thiazepines along with five-membered isopenams. (C) 2014 Elsevier Ltd. All rights reserved.

10aAllene10abeta-Lactams10aIodocyclization10aRegioselective10athiourea1 aGarud, Dinesh, R.1 aJadhav, Amol, R.1 aLahore, Santosh, V.1 aKahar, Nilesh, M.1 aJoshi, Rohini, R.1 aJoshi, Ramesh, A.1 aKoketsu, Mamoru uhttps://library.ncl.res.in/content/first-iodocyclization-reaction-allene-thioureas-efficient-approach-bicyclic-beta-lactams-001908nas a2200217 4500008004100000022001400041245012100055210006900176260012500245300001100370490000800381520101800389100001901407700002001426700001901446700001601465700001901481700002501500700003301525856013201558 2014 eng d a0021-897900aFlexible microwave absorbers based on barium hexaferrite, carbon black, and nitrile rubber for 2-12 GHz applications0 aFlexible microwave absorbers based on barium hexaferrite carbon  aCIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USAbAMER INST PHYSICScJUL a0249020 v1163 a

Flexile single layer electromagnetic wave absorbers were designed by incorporating appropriate amounts of carbon black in a nitrile butadiene rubber matrix along with an optimized amount of magnetic counterpart, namely, barium hexaferrite for applications in S, C, and X-bands. Effective dielectric permittivity and magnetic permeability were measured using cavity perturbation method in the frequency range of 2-12 GHz. The microwave absorbing characteristics of the composites were studied in the S, C, and X-bands employing a model in which an electromagnetic wave is incident normally on a metal terminated single layer. Reflection loss exceeding -20 dB is obtained for all the samples in a wide frequency range of 2-12 GHz when an appropriate absorber thickness between 5 and 9 mm is chosen. The impact of carbon black is clearly observed in the optimized composites on the mechanical strength, thickness, band width of absorption, dielectric properties, and absorptivity. (C) 2014 AIP Publishing LLC.

1 aVinayasree, S.1 aSoloman, M., A.1 aSunny, Vijutha1 aMohanan, P.1 aKurian, Philip1 aJoy, Pattayil, Alias1 aAnantharaman, Maliemadom, R. uhttps://library.ncl.res.in/content/flexible-microwave-absorbers-based-barium-hexaferrite-carbon-black-and-nitrile-rubber-2-12-001490nas a2200253 4500008004100000022001400041245008400055210006900139260010600208300001400314490000700328520053700335653002800872653002100900653002200921653002300943653002000966100002100986700002301007700002901030700002801059700003701087856011201124 2014 eng d a0040-403900aFungi mediated production and practical purification of (R)-(-)-3-quinuclidinol0 aFungi mediated production and practical purification of R3quinuc aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcOCT a5911-59140 v553 a

A fungal system belonging to Mucoraceae family (Mucor piriformis) was explored for the asymmetric reduction of a prochiral ketone, 3-quinuclidinone (I) in an efficient manner to produce an important pharmaceutical precursor (R)-(-)-3-quinuclidinol (II) with similar to 96% enantiomeric excess. The efficiency of the process was improved by developing a cation exchange resin (Amberlite IR-120) which assisted the purification of water soluble metabolite II from fermentation media. (C) 2014 Elsevier Ltd. All rights reserved.

10a(R)-(-)-3-Quinuclidinol10aAmberlite IR-12010aBiotransformation10aIon exchange resin10aMucor pinformis1 aKolet, Swati, P.1 aJadhav, Dipesh, D.1 aPriyadarshini, Balaraman1 aSwarge, Bhagyashree, N.1 aThulasiram, Hirekodathakallu, V. uhttps://library.ncl.res.in/content/fungi-mediated-production-and-practical-purification-r-3-quinuclidinol-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-002517nas 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-motif02064nas a2200181 4500008004100000022001400041245011400055210006900169260000800238300001400246490000700260520139700267100001701664700002101681700003201702700002201734856012601756 2014 eng d a0002-782000aIdentification of the Zn substitution sites in La-Zn substituted SrAl12O19 from Al-27 solid-state NMR studies0 aIdentification of the Zn substitution sites in LaZn substituted  cSEP a2990-29950 v973 a

The La-Zn substituted hexagonal strontium aluminate, Sr1-xLaxAl12-xZnxO19, with the magnetoplumbite structure and having five different coordination environments for Al with different symmetries, is investigated using Al-27 solid-state NMR to get detailed information on the sites of substitution of Zn and the associated changes in the local coordination environments of Al. The objective of the study was to get information on the local structural variations in the isostructural La-Co substituted strontium ferrite, Sr1-xLaxFe12-xCoxO19, showing enhanced magnetic performance on substitution. The NMR studies on the aluminate give direct evidence for the sites of substitution and the changes in the local coordination environments. It is found that Zn is substituted at the 2a and 4f(2) AlO6 octahedral sites. However, an interesting observation from the NMR studies is the stabilization of the Al site occupancy at the penta-coordinated 2b site over the distorted tetrahedral 4eAl site, without any substitution at these sites. Large changes in the quadrupolar coupling constant of the 2a and 4e sites are observed between x=0.2 and 0.3, corresponding to the compositional region showing higher performance in the case of Sr1-xLaxFe12-xCoxO19, indicating the role of distortion of local coordination environments on suitable substitution in controlling the performance parameters.

1 aBaby, Bindhu1 aDey, Krishna, K.1 aAjithkumar, Thalasseril, G.1 aJoy, Pattayil, A. uhttps://library.ncl.res.in/content/identification-zn-substitution-sites-la-zn-substituted-sral12o19-al-27-solid-state-nmr01936nas a2200217 4500008004100000022001400041245010400055210006900159260010600228300000900334490000700343520108200350653001101432653002201443653003701465100002301502700002401525700002001549700002101569856012801590 2014 eng d a0025-540800aInfluence of starting precursors and synthesis methods on the physiochemical properties of zirconia0 aInfluence of starting precursors and synthesis methods on the ph aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcJUL a8-120 v553 a

Under identical and judiciously pre-optimized synthesis conditions, the influence of different combinations of zirconium sources and/or post treatment conditions on structural properties, thermal stability, phase composition and morphology of zirconia has been investigated. High surface area tetragonal zirconia could be synthesized in a cost-effective manner from 1 M solution of zirconium oxynitrate at pH 11 using aqueous ammonia solution as a precipitant when calcined at 400 degrees C for 3 h. Irrespective of the preparation method, pH and starting precursor, zirconia samples prepared without digestion contained dominant monoclinic phase with some traces of tetragonal phase when calcined at 700 degrees C. Even though there is linear decrease in surface area with increase in the crystallite size for each sample as a function of calcination temperature, no co-relation between the surface area and crystallite size could be achieved. SEM images show agglomerated and irregular shape particles between 10 to 20 mu m. (C) 2014 Elsevier Ltd. All rights reserved.

10aOxides10aSol-gel chemistry10aThermogravimetric analysis (TGA)1 aGaydhankar, T., R.1 aJha, Ratnesh, Kumar1 aNikalje, M., D.1 aWaghmare, K., J. uhttps://library.ncl.res.in/content/influence-starting-precursors-and-synthesis-methods-physiochemical-properties-zirconia-002477nas a2200205 4500008004100000022001400041245010900055210006900164260009100233300001200324490000600336520165100342100002001993700002902013700001802042700003702060700002502097700002002122856012902142 2014 eng d a1932-620300aInsecticidal potential of defense metabolites from ocimum kilimandscharicum against helicoverpa armigera0 aInsecticidal potential of defense metabolites from ocimum kilima a1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USAbPUBLIC LIBRARY SCIENCEcAUG ae1043770 v93 a

Genus Ocimum contains a reservoir of diverse secondary metabolites, which are known for their defense and medicinal value. However, the defense-related metabolites from this genus have not been studied in depth. To gain deeper insight into inducible defense metabolites, we examined the overall biochemical and metabolic changes in Ocimum kilimandscharicum that occurred in response to the feeding of Helicoverpa armigera larvae. Metabolic analysis revealed that the primary and secondary metabolism of local and systemic tissues in O. kilimandscharicum was severely affected following larval infestation. Moreover, levels of specific secondary metabolites like camphor, limonene and beta-caryophyllene (known to be involved in defense) significantly increased in leaves upon insect attack. Choice assays conducted by exposing H. armigera larvae on O. kilimandscharicum and tomato leaves, demonstrated that O. kilimandscharicum significantly deters larval feeding. Further, when larvae were fed on O. kilimandscharicum leaves, average body weight decreased and mortality the larvae increased. Larvae fed on artificial diet supplemented with O. kilimandscharicum leaf extract, camphor, limonene and beta-caryophyllene showed growth retardation, increased mortality rates and pupal deformities. Digestive enzymes of H. armigera - namely, amylase, protease and lipase- showed variable patterns after feeding on O. kilimandscharicum, which implies striving of the larvae to attain required nutrition for growth, development and metamorphosis. Evidently, selected metabolites from O. kilimandscharicum possess significant insecticidal activity.

1 aSingh, Priyanka1 aJayaramaiah, Ramesha, H.1 aSarate, Priya1 aThulasiram, Hirekodathakallu, V.1 aKulkarni, Mahesh, J.1 aGiri, Ashok, P. uhttps://library.ncl.res.in/content/insecticidal-potential-defense-metabolites-ocimum-kilimandscharicum-against-helicoverpa-001758nas a2200229 4500008004100000022001400041245011200055210006900167260011000236300001400346490000700360520082900367100002901196700002401225700003201249700002801281700002301309700002101332700002601353700001801379856013101397 2014 eng d a1477-922600aInvestigations into variations in local cationic environment in layered oxide series InGaO3(ZnO)(m) (m=1-4)0 aInvestigations into variations in local cationic environment in  aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcNOV a2120-21260 v433 a

Layered oxides of the series InGaO3(ZnO)(m) (m = 1-4) are interesting due to their structural anisotropy. Here, we report a comprehensive study of their structural details, focusing on the local cationic environment in bulk powder samples by MASNMR and EXAFS, which is hitherto not attempted. It is found that the Ga geometry varies gradually from pure pentacoordinated to a mixture of penta and tetracoordinated with increasing amounts of tetracoordination as we move across the series, contrary to previous reports suggesting exclusively trigonal bipyramidal coordination in all the compounds. A similar observation is also made in the case of Zn and structural evolution involving the dissolution of Ga in a ZnO4 tetrahedral network in a sandwich layer can be discerned, as the insulating ZnO layer size increases.

1 aNarendranath, Soumya, B.1 aYadav, Ashok, Kumar1 aAjithkumar, Thalasseril, G.1 aBhattacharyya, Dibyendu1 aJha, Shambhu, Nath1 aDey, Krishna, K.1 aRaja, Thirumalaiswamy1 aDevi, Nandini uhttps://library.ncl.res.in/content/investigations-variations-local-cationic-environment-layered-oxide-series-ingao3znom-m1-4-001705nas a2200241 4500008004100000022001400041245008800055210006900143260010600212300001400318490000700332520081800339653001101157653001901168653002301187653001101210653002201221100001901243700002101262700002301283700003701306856012001343 2014 eng d a0040-403900aLipase mediated separation of triterpene structural isomers, alpha- and beta-amyrin0 aLipase mediated separation of triterpene structural isomers alph aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcMAY a3122-31250 v553 a

Pentacyclic triterpenoids alpha- and beta-amyrin possess a wide range of biological and pharmacological activities. High structural similarity between these two structural isomers makes their chromatographic separation an ineffective and tedious choice. In this study, Candida rugosa lipase catalyzed separation protocol for the isolation of individual isomers has been developed. In the presence of vinyl acetate as the acyl donor, Candida rugosa lipase carried out acetylation of beta-amyrin more efficiently as compared to alpha-amyrin leading to a kinetic separation. The conditions of transesterification reaction were optimized systematically, which was utilized to separate alpha- and beta-amyrin from a mixture obtained from the latex of Plumeria obtusa. (C) 2014 Elsevier Ltd. All rights reserved.

10aAmyrin10aCandida rugosa10aKinetic separation10aLipase10aStructural isomer1 aHaldar, Saikat1 aKale, Balaji, S.1 aJadhav, Dipesh, D.1 aThulasiram, Hirekodathakallu, V. uhttps://library.ncl.res.in/content/lipase-mediated-separation-triterpene-structural-isomers-alpha-and-beta-amyrin-001787nas a2200241 4500008004100000022001400041245008900055210006900144260007300213300001200286490000800298520094400306653001101250653002901261653000801290653002101298100002001319700001901339700002001358700002301378700002801401856011601429 2014 eng d a0926-337300aMagnesia doped Ag/Al2O3 - sulfur tolerant catalyst for low temperature HC-SCR of NOx0 aMagnesia doped AgAl2O3 sulfur tolerant catalyst for low temperat aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcJAN a408-4150 v1443 a

A series of magnesia doped Ag/Al2O3 catalysts were prepared by modified impregnation method using boehmite as alumina precursor. The prepared catalysts were characterized and tested for the SCR of NOx using propene as reductant under lean condition. Doping of magnesia improved the low temperature catalytic activity for HC-SCR of NOx as well as sulfur tolerance. Maximum 98% NO conversion with 100% selectivity for N-2 was obtained at 350 degrees C with 7% Mg doping to Ag/Al2O3. The improvement in low temperature activity and the sulfur tolerance has been correlated to decreased acidity after addition of magnesia to alumina support. In situ FTIR study showed that the deactivation in the presence of SO2 was due to the sulfation of silver and aluminum sites in Ag/Al2O3 catalyst, however its formation was suppressed in case of magnesia doped Ag/Al2O3 improving its sulfur tolerance. (C) 2013 Elsevier B.V. All rights reserved.

10aHC-SCR10aLow temperature activity10aNOx10aSulfur tolerance1 aMore, Pavan, M.1 aJagtap, Neelam1 aKulal, Atul, B.1 aDongare, Mohan, K.1 aUmbarkar, Shubhangi, B. uhttps://library.ncl.res.in/content/magnesia-doped-agal2o3-sulfur-tolerant-catalyst-low-temperature-hc-scr-nox-001420nas a2200205 4500008004100000022001400041245008100055210006900136260010600205300001000311490000800321520065800329653002100987653002201008653001901030653002401049100001601073700002501089856010001114 2014 eng d a0038-109800aMagnetism in disordered carbon as a function of the extent of graphitization0 aMagnetism in disordered carbon as a function of the extent of gr aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcJAN a89-940 v1773 a

Magnetic properties of disordered carbon have been investigated as a function of the extent of graphitization. It is found that the magnetization of the disordered carbon decreases with increasing degree of graphitization. Treatment with acid modifies the magnetic characteristics considerably and the original magnetic characteristics are retained upon further heat treatment. The results show that the intrinsic magnetic behavior of the disordered carbon depends on the microstructure and that the edge states play a critical role in deciding the magnetic interactions in the amorphous carbon system. (C) 2013 Elsevier Ltd. All rights reserved.

10aAmorphous carbon10adisordered carbon10aGraphitization10amagnetic properties1 aRaj, Govind1 aJoy, Pattayil, Alias uhttps://library.ncl.res.in/content/magnetism-disordered-carbon-function-extent-graphitization-001785nas a2200301 4500008004100000022001400041245006700055210006600122260007700188300001400265520077300279653003601052653001901088653002201107653001901129653001101148653001301159100002601172700002301198700002301221700002001244700002301264700002701287700002301314700002101337700002401358856010101382 2014 eng d a1434-194800aMetallic few-layer flowerlike VS2 nanosheets as field emitters0 aMetallic fewlayer flowerlike VS2 nanosheets as field emitters aBOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANYbWILEY-V C H VERLAG GMBHcNOV a5331-53363 a

We report first-principles DFT calculations of the single-layer VS2 work function, the experimental synthesis of flower-like few-layer-thick VS2 nanosheets by a simple one-step hydrothermal method, and the investigation of their field emission properties. The turn-on field required to draw emission current densities of 1 and 10 mu A/cm(2) were 4 and 5.01 V/mu m, respectively. The observed turn-on field values are attributed to the high field enhancement factor (ca. 2500), which is due to presence of sharp protrusions in the VS2 nanosheets. Furthermore, the field-emission current stability of the VS2 emitter shows stable behavior over a period of 12 h. Further, DFT calculations show that the work function (f) of the single-layer VS2 emitter is 6.01 eV.

10aDensity functional calculations10afield emission10aLayered compounds10aNanostructures10aSulfur10aVanadium1 aRout, Chandra, Sekhar1 aKhare, Ruchita, T.1 aKashid, Ranjit, V.1 aJoag, Dilip, S.1 aMore, Mahendra, A.1 aLanzillo, Nicholas, A.1 aWashington, Morris1 aNayak, Saroj, K.1 aLate, Dattatray, J. uhttps://library.ncl.res.in/content/metallic-few-layer-flowerlike-vs2-nanosheets-field-emitters-001922nas a2200193 4500008004100000022001400041245014800055210006900203260007100272300001600343490000800359520112400367100001901491700001901510700001801529700002501547700002601572856013001598 2014 eng d a1520-610600aMicroscopic hydration properties of the a beta(1-42) peptide monomer and the globular protein ubiquitin: a comparative molecular dynamics study0 aMicroscopic hydration properties of the a beta142 peptide monome a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcOCT a11591-116040 v1183 a

Atomistic molecular dynamics simulations of eight selected conformations of a disordered protein amyloid beta (1-42) (A beta), and a globular protein, ubiquitin(UBQ), have been carried out in aqueous media at 310 K. Detailed analyses were carried out to compare the microscopic properties of water molecules present in the hydration layers of these systems. It is notices that irrespective of the conformational heterogeneity among the A beta monomers, water molecules hydrating UBQ. Importantly, the conformational heterogeneity of the A beta monomers has been found to affect the translational and rotational motions of hydration water molecules in a nonuniform manner. Detailed investigation of the timescale of hydrogen bond relaxations at the surface and their energetics revealed the possibility of heterogeneous confinement around different A beta conformations. The distribution of water density fluctuation around A beta conformations are broader compared density fluctuation among the A beta monomers suggests that the structural propensities could affect the peptides effective surface hydrophobicity.

1 aJose, Jaya, C.1 aKhatua, Prabir1 aBansal, Nupur1 aSengupta, Neelanjana1 aBandyopadhyay, Sanjoy uhttps://library.ncl.res.in/content/microscopic-hydration-properties-beta1-42-peptide-monomer-and-globular-protein-ubiquitin-002175nas a2200181 4500008004100000022001400041245013500055210006900190260009100259300001300350490000700363520141300370100002001783700002101803700002001824700001801844856013101862 2014 eng d a1553-734X00aMolecular Insights into the dynamics of pharmacogenetically important N-terminal variants of the human beta(2)-adrenergic receptor0 aMolecular Insights into the dynamics of pharmacogenetically impo a1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USAbPUBLIC LIBRARY SCIENCEcDEC ae10040060 v103 a

The human beta(2)-adrenergic receptor (beta(2)AR), a member of the G-protein coupled receptor (GPCR) family, is expressed in bronchial smooth muscle cells. Upon activation by agonists, beta(2)AR causes bronchodilation and relief in asthma patients. The N-terminal polymorphism of beta(2)AR at the 16th position, Arg16Gly, has warranted a lot of attention since it is linked to variations in response to albuterol (agonist) treatment. Although the beta(2)AR is one of the well-studied GPCRs, the N-terminus which harbors this mutation, is absent in all available experimental structures. The goal of this work was to study the molecular level differences between the N-terminal variants using structural modeling and atomistic molecular dynamics simulations. Our simulations reveal that the N-terminal region of the Arg variant shows greater dynamics than the Gly variant, leading to differential placement. Further, the position and dynamics of the N-terminal region, further, affects the ligand binding-site accessibility. Interestingly, long-range effects are also seen at the ligand binding site, which is marginally larger in the Gly as compared to the Arg variant resulting in the preferential docking of albuterol to the Gly variant. This study thus reveals key differences between the variants providing a molecular framework towards understanding the variable drug response in asthma patients.

1 aShahane, Ganesh1 aParsania, Chirag1 aSengupta, Durba1 aJoshi, Manali uhttps://library.ncl.res.in/content/molecular-insights-dynamics-pharmacogenetically-important-n-terminal-variants-human-beta2-002257nas a2200217 4500008004100000022001400041245010300055210006900158260009100227300001200318490000600330520141100336100002301747700001901770700002501789700002501814700002201839700002501861700002501886856012801911 2014 eng d a1932-620300aMolecular investigations of protriptyline as a multi-target directed ligand in alzheimer's disease0 aMolecular investigations of protriptyline as a multitarget direc a1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USAbPUBLIC LIBRARY SCIENCEcAUG ae1051960 v93 a

Alzheimer's disease (AD) is a complex neurodegenerative disorder involving multiple cellular and molecular processes. The discovery of drug molecules capable of targeting multiple factors involved in AD pathogenesis would greatly facilitate in improving therapeutic strategies. The repositioning of existing non-toxic drugs could dramatically reduce the time and costs involved in developmental and clinical trial stages. In this study, preliminary screening of 140 FDA approved nervous system drugs by docking suggested the viability of the tricyclic group of antidepressants against three major AD targets, viz. Acetylcholinesterase (AChE), beta-secretase (BACE-1), and amyloid beta (A beta) aggregation, with one member, protriptyline, showing highest inhibitory activity. Detailed biophysical assays, together with isothermal calorimetry, fluorescence quenching experiments, kinetic studies and atomic force microscopy established the strong inhibitory activity of protriptyline against all three major targets. The molecular basis of inhibition was supported with comprehensive molecular dynamics simulations. Further, the drug inhibited glycation induced amyloid aggregation, another important causal factor in AD progression. This study has led to the discovery of protriptyline as a potent multi target directed ligand and established its viability as a promising candidate for AD treatment.

1 aBansode, Sneha, B.1 aJana, Asis, K.1 aBatkulwar, Kedar, B.1 aWarkad, Shrikant, D.1 aJoshi, Rakesh, S.1 aSengupta, Neelanjana1 aKulkarni, Mahesh, J. uhttps://library.ncl.res.in/content/molecular-investigations-protriptyline-multi-target-directed-ligand-alzheimers-disease-002075nas a2200301 4500008004100000022001400041245008700055210006900142260006900211300001200280490000800292520106000300653002001360653001601380653001501396653001401411653001301425100002401438700002301462700002601485700002301511700002001534700002301554700002801577700002301605700003401628856011101662 2014 eng d a0022-328X00aMolybdenum(VI) dioxo complexes for the epoxidation of allylic alcohols and olefins0 aMolybdenumVI dioxo complexes for the epoxidation of allylic alco aPO BOX 564, 1001 LAUSANNE, SWITZERLANDbELSEVIER SCIENCE SAcDEC a271-2790 v7723 a

Several molybdenum(VI) dioxo complexes have been investigated as catalyst precursors for allylic alcohol epoxidation using mainly hydrogen peroxide as oxidant. All catalysts proved to be efficient and selective for the epoxidation of allylic alcohols provided the olefins were rather electron rich. Indeed, electron poor substrates could be converted selectively into the corresponding unsaturated aldehydes. A chiral dioxomolybdenum complex based on an optically pure tridentate Schiff base ligand was synthesized and characterized. Though that complex provided an efficient epoxidation catalyst for allylic alcohols and olefins, no chiral induction was observed. During the X-ray diffraction analysis, the cooling at 100 K led to the appearance of super-lattice reflections on diffraction patterns reflecting an ordering of the structure. Instead of one organometallic species observed at 298 K, three similar complexes of the same molecular structure could be observed in the asymmetric unit at 100 K. (C) 2014 Elsevier B.V. All rights reserved.

10aAllylic alcohol10aepoxidation10aMolybdenum10aOxidation10aPeroxide1 aPandhare, Swati, L.1 aJadhao, Rajesh, R.1 aPuranik, Vedavati, G.1 aJoshi, Pranaya, V.1 aCapet, Frederic1 aDongare, Mohan, K.1 aUmbarkar, Shubhangi, B.1 aMichon, Christophe1 aAgbossou-Niedercorn, Francine uhttps://library.ncl.res.in/content/molybdenumvi-dioxo-complexes-epoxidation-allylic-alcohols-and-olefins-001591nas a2200193 4500008004100000022001400041245012600055210006900181260007100250300001200321490000700333520081400340100001901154700002301173700002101196700002301217700002601240856013101266 2014 eng d a1043-180200aMonitoring cellular uptake and cytotoxicity of copper(II) complex using a fluorescent anthracene thiosemicarbazone ligand0 aMonitoring cellular uptake and cytotoxicity of copperII complex  a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcJAN a102-1140 v253 a

The thiosemicarbazone derivative of anthracene (ATSC, anthracene thiosemicarbazone I) and its copper(II) complex (CuATSC, 2) were synthesized and characterized by spectroscopic, electrochemical, and crystallographic techniques. Interaction of 1 and 2 with calf thymus (CT) DNA was explored using absorption and emission spectral methods, and viscosity measurements reveal a partial-intercalation binding mode. Their protein binding ability was monitored by the quenching of tryptophan emission using bovine serum albumin (BSA) as a model protein. Furthermore, their cellular uptake, in vitro cytotoxicity testing on the HeLa cell line, and flow cytometric analysis were carried out to ascertain the mode of cell death. Cell cycle analysis indicated that 1 and 2 cause cell cycle arrest in sub-G1 phase.

1 aKate, Anup, N.1 aKumbhar, Anupa, A.1 aKhan, Ayesha, A.1 aJoshi, Pranaya, V.1 aPuranik, Vedavati, G. uhttps://library.ncl.res.in/content/monitoring-cellular-uptake-and-cytotoxicity-copperii-complex-using-fluorescent-anthracene-002865nas a2200229 4500008004100000022001400041245010300055210006900158260006700227300001400294490000800308520201300316653002502329653003502354653002102389653001702410653001402427100002602441700002602467700002102493856012102514 2014 eng d a1438-769700aNew yeast isolate Pichia caribbica synthesizes xylolipid biosurfactant with enhanced functionality0 aNew yeast isolate Pichia caribbica synthesizes xylolipid biosurf a111 RIVER ST, HOBOKEN 07030-5774, NJ USAbWILEY-BLACKWELLcAUG a1070-10790 v1163 a

Sophorolipids (SL) belong to a class of glycolipidic biosurfactants suitable for a wide range of applications. The structural diversity in SL gives rise to variation in physicochemical and biological properties. To achieve the less explored head group diversity in sophorolipid structure, a new xylose fermenting yeast Pichia caribbica has been employed for biosurfactant production. The media and fermentation parameters have been optimized to achieve maximum yield of 7.48 g/L. The physicochemical properties of the xylolipid biosurfactant have been assessed. It reduced the surface tension of distilled water from 70 to 35.9 mN/m with the low critical micellar concentration (CMC) 1.0 mg/L as compared to typical SL (reported CMC range 40-100 mg/L). Structural characterization was done using FTIR and HR-MS to identify the structure. 17-L-[(beta-D-xylopyranosyl)-oxy]-Delta 9-heptadecanoic acid correlated to m/z 415 majorly constituted the product. Control experiment was performed in which glucose was provided as the hydrophilic carbon. This product was also subjected to HR-MS analysis to determine its chemical nature and found to be different from xylolipid. Presence of xylose as head group was anticipated to give altered physicochemical and biological activities and indeed a low CMC value and better inhibitory action was demonstrated against Staphylococcus aureus. Practical applications: Sophorolipids produced by microbial sources have several advantageous properties over commercial petroleum-based surfactants including biodegradability, environmentally friendly nature, and low toxicity. Here, we have attempted to modify the hydrophilic head group by incorporating xylose in place of glucose. This molecule will also behave differently in response to different stimuli. Stimuli-responsive surfactants are a class of compounds with applications in stabilization of emulsions, suspensions or foams, drug encapsulation and delivery, hard-surface cleaning, personal care applications.

10aAntibacterial action10aCritical micelle concentration10aPichia caribbica10aSophorolipid10aXylolipid1 aJoshi-Navare, Kasturi1 aSingh, Pradeep, Kumar1 aPrabhune, Asmita uhttps://library.ncl.res.in/content/new-yeast-isolate-pichia-caribbica-synthesizes-xylolipid-biosurfactant-enhanced-001814nas a2200217 4500008004100000022001400041245012500055210006900180260010600249300001200355490000700367520095400374100001901328700002701347700001801374700001801392700002001410700002401430700002501454856011701479 2014 eng d a0008-622300aOligomer-salt derived 3D, heavily nitrogen doped, porous carbon for Li-ion hybrid electrochemical capacitors application0 aOligomersalt derived 3D heavily nitrogen doped porous carbon for aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcDEC a462-4710 v803 a

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

1 aGokhale, Rohan1 aAravindan, Vanchiappan1 aYadav, Prasad1 aJain, Srashti1 aPhase, Deodatta1 aMadhavi, Srinivasan1 aOgale, Satishchandra uhttps://library.ncl.res.in/content/oligomer-salt-derived-3d-heavily-nitrogen-doped-porous-carbon-li-ion-hybrid-000942nas a2200157 4500008004100000022001400041245008600055210006900141260011000210300001400320490000600334520029600340100002000636700001900656856010900675 2014 eng d a2046-206900aOrganocatalytic stereoselective approach to the total synthesis of (-)-halosaline0 aOrganocatalytic stereoselective approach to the total synthesis  aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcNOV a3238-32440 v43 a

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

1 aJha, Vishwajeet1 aKumar, Pradeep uhttps://library.ncl.res.in/content/organocatalytic-stereoselective-approach-total-synthesis-halosaline-002087nas a2200253 4500008004100000022001400041245013300055210006900188260007100257300001600328490000600344520111500350653002601465653001801491653001901509653001801528653003501546100002901581700002401610700002801634700002301662700001801685856013001703 2014 eng d a1944-824400aPhotocatalytic H-2 evolution from water-methanol system by anisotropic InFeO3(ZnO)(m) oxides without cocatalyst in visible light0 aPhotocatalytic H2 evolution from watermethanol system by anisotr a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcAUG a12321-123270 v63 a

InFeO3(ZnO)(m), series of oxides are found to give unprecedented H-2 evolution from water-methanol mixtures without using any cocatalysts. This family of compounds has an anisotropically layered structure in which Zn/FeOn polyhedra are sandwiched between InO6 octahedral layers. Local structure characterization by X-ray absorption spectroscopy reveals that Zn coordination changes from pentacoordinated to tetrahedral geometry across the series, whereas Fe geometry remains trigonal bipyramidal in all the compounds. This peculiar structure is conducive for a spatial separation of photogenerated charges reducing recombination losses. Band gap energies calculated from absorption spectra indicate potential visible light activity, and this may be due to the orbital mixing of Fe 3d and O 2p as revealed by pre-edge features of X-ray absorption spectra. Band positions are also advantageously placed for a visible light H-2 generation and is indeed found to be the case in methanol-assisted water splitting with standardized hydrogen evolution of similar to 19.5 mmol g(-1) h(-1) for all the catalysts.

10aanisotropic structure10aH-2 evolution10aInFeO3(ZnO)(m)10alayered oxide10aphotocatalytic water splitting1 aNarendranath, Soumya, B.1 aYadav, Ashok, Kumar1 aBhattacharyya, Dibyendu1 aJha, Shambhu, Nath1 aDevi, Nandini uhttps://library.ncl.res.in/content/photocatalytic-h-2-evolution-water-methanol-system-anisotropic-infeo3znom-oxides-without-001719nas a2200301 4500008004100000020002200041022001400063245006700077210006600144260019300210520062500403653002201028653001901050653001401069653001901083100002501102700002301127700002001150700002401170700002201194700001601216700001701232700001701249700001801266700001701284700001501301856010101316 2014 eng d a978-1-4799-5306-6 a2164-237000aPhoto-enhanced field emission studies of tapered CdS nanobelts0 aPhotoenhanced field emission studies of tapered CdS nanobelts a345 E 47th St, New York, NY 10017 USAbPaul Scherrer Inst; EMPA, Mat Sci & Technol; Swiss Nanoscience Inst; Appl MicroSWISS; Amer Elements; Amer Vacuum Soc; IEEE, Electron Devices SoccJUL3 a

Field emission and photo-enhanced field emission characteristics of single crystalline tapered CdS nanobelts have been investigated. The turn-on field for the emission current density of similar to 0.1 mu A/cm(2) is found to be similar to 2.1 V/mu m, which is much lower than reported values for various CdS nanostructures. The photo-enhanced field emission current shows a reproducible photo-switching behavior with rise in current level nearly four times that of its initial preset value (similar to 1 mu A) which is found to be very remarkable. Possible mechanism of photo-enhanced field emission is discussed.

10aCurrent stability10afield emission10aNanobelts10aPhotoswitching1 aChavan, Padmakar, G.1 aMore, Mahendra, A.1 aJoag, Dilip, S.1 aBadadhe, Satish, S.1 aMulla, Imtiaz, S.1 aTsujino, S.1 aGobrecht, J.1 aParaliev, M.1 aBraun, H., H.1 aGroening, O.1 aFeurer, T. uhttps://library.ncl.res.in/content/photo-enhanced-field-emission-studies-tapered-cds-nanobelts-002794nas a2200265 4500008004100000020002200041245011500063210006900178260019300247520172400440653001902164653002102183653001902204100002602223700002002249700002702269700002402296700001502320700001602335700001602351700001402367700001602381700001402397856011702411 2014 eng d a978-1-4799-5306-600aPhotosensitive field emission study of SnS2 nanosheets (27th International Vacuum Nanoelectronics Conference )0 aPhotosensitive field emission study of SnS2 nanosheets 27th Inte a345 E 47TH ST, NEW YORK, NY 10017 USAbPaul Scherrer Inst; EMPA, Mat Sci & Technol; Swiss Nanoscience Inst; Appl MicroSWISS; Amer Elements; Amer Vacuum Soc; IEEE, Electron Devices SoccJUL3 a

SnS2 nanosheets (SnS(2)NSs), synthesized by one-step hydrothermal reaction, are subjected to Field Emission (FE) studies. For synthesis, specific concentrations of Na2SnO3 and thioamide solution are used. The FE study is carried out in all metal Ultra High Vacuum (UHV) chamber in planar diode configuration at a base pressure of similar to 10(-8) torr. A maximum current density of 110 mu A/cm(2) was attainable. The turn on field required to draw a current density of 1 mu A/cm(2) is found to be 2.6 V/mu m. A separate study was carried out to investigate the photosensitivity of the emitter by illuminating the specimen under visible light. In dark, the FN plot is non-linear, indicative of semiconductor nature of the emitter. However, on illumination, the FN plot is observed to be linear. This remarkable change can be explained by the photoconductivity imparted on illumination. The field at the tip is high in presence of light, than in dark, due to enhanced conductivity. It is also observed that on switching ON the light, the FE current increases almost instantaneously. Repetitive switching is observed at a fixed applied voltage, generating current pulses. The visible light soaking of the sample is carried out by illuminating the lamp for more than 100 minutes, where the current seems to saturate. On switching off the lamp the emission current decayed almost to its initial value exponentially. The photosensitivity has been studied for different wavelengths in the visible spectra. The maximum photosensitive field emission is observed for green filter. With this photoresponse, it is envisaged that SnS2 nanosheets are a potential candidate for optoelectronic applications of field emitters.

10afield emission10aphotosensitivity10aPhotoswitching1 aJoshi, Padmashree, D.1 aJoag, Dilip, S.1 aRout, Chandra, Shekhar1 aLate, Dattatray, J.1 aTsujino, S1 aGobrecht, J1 aParaliev, M1 aBraun, HH1 aGroening, O1 aFeurer, T uhttps://library.ncl.res.in/content/photosensitive-field-emission-study-sns2-nanosheets-27th-international-vacuum02068nas a2200193 4500008004100000022001400041245010300055210006900158260000800227300001200235490000600247520137700253100002401630700002401654700001901678700002001697700002501717856013201742 2014 eng d a2050-748800aPlasmonic light harvesting of dye sensitized solar cells by Au-nanoparticle loaded TiO2 nanofibers0 aPlasmonic light harvesting of dye sensitized solar cells by Auna cFEB a975-9840 v23 a

We report a significant enhancement in the performance of dye sensitized solar cells by using in situ Au nanoparticle (Au NP) loaded TiO2 nanofibers (Au: TiO2 NFs) as the light harvesting (LH) layer as compared to the use of only TiO2 nanofibers (NFs) as the LH layer. The Au NP: TiO2 nanofibers are prepared by electro-spinning of a precursor mixture whereby nanostructured porous TiO2 nanofibers are formed and get in situ loaded with only 4-5 nm AuNPs. The as-synthesized nanofibers are characterized by X-ray diffraction, Raman, photoluminescence (PL) and Mott-Schottky analyses. The presence of gold nanoparticles shows considerable improvements in light harvesting and the electrochemical properties of TiO2 nanofibers. A remarkable enhancement in the efficiency by 25% is achieved with the AuNF LH layer as compared to 12% with the NF layer, over the value without any light harvesting layer. The IPCE and impedance analyses reveal commensurate improvements. The impedance study shows a decrease in the transport resistance (R-TiO2) and an increment in the chemical capacitance and life time of the solar cell. Systematic analyses of the optical properties suggest that the enhanced light harvesting by Au NP loaded TiO2 nanofibers is caused by the role of plasmon-polariton modes at the distributed nanoscale Schottky junctions in the Au: TiO2 nanofibers.

1 aNaphade, Rounak, A.1 aTathavadekar, Mukta1 aJog, Jyoti, P.1 aAgarkar, Shruti1 aOgale, Satishchandra uhttps://library.ncl.res.in/content/plasmonic-light-harvesting-dye-sensitized-solar-cells-au-nanoparticle-loaded-tio2-nanofibers02215nas a2200265 4500008004100000022001400041245011000055210006900165260010600234300001100340490000700351520121700358653001001575653002501585653002701610653002601637653002401663653001201687653002401699100002001723700002001743700003701763700002101800856012801821 2014 eng d a0031-942200aPolyketide synthesis in tobacco plants transformed with a plumbago zeylanica type III hexaketide synthase0 aPolyketide synthesis in tobacco plants transformed with a plumba aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcFEB a92-1000 v983 a

A type III polyketide synthase from Plumbago zeylanica (PzPKS) was cloned and expressed in tobacco plants to study whether the transgenic tobacco plants expressing PzPKS synthesize the pharmacologically important polyketide, plumbagin. High resolution mass spectrometry based metabolite profiling of two transgenic events and wild type tobacco plants was carried out to investigate changes in polyketides, including plumbagin. Ten polyketides, which included six pyrones and four naphthalene derivatives, were identified in PzPKS transgenic plants. While one pyrone, styry1-2-pyranone, was detected in both, wild type and transgenic tobacco plants, three pyrones were expressed only in the leaves of transgenic tobacco plants. The transgenic tobacco plants did not accumulate plumbagin, but showed accumulation of isoshinanolone in the roots, which is postulated to be the reduction product of plumbagin. In addition, leaves of transgenic tobacco plants accumulated 3-methyl-1,8-naphthalenediol, a postulated precursor of plumbagin. The results indicated the requirement of additional Plumbago-specific components in the biosynthetic pathway of this polyketide. (C) 2013 Elsevier Ltd. All rights reserved.

10aHR-MS10aMetabolite profiling10aNapthalene derivatives10aPlumbago zeylanica L.10aPolyketide synthase10aPyrones10aTobacco transgenics1 aJadhav, Supriya1 aPhapale, Prasad1 aThulasiram, Hirekodathakallu, V.1 aBhargava, Sujata uhttps://library.ncl.res.in/content/polyketide-synthesis-tobacco-plants-transformed-plumbago-zeylanica-type-iii-hexaketide-002581nas a2200253 4500008004100000022001400041245014900055210006900204260006900273300001200342490000800354520161400362653001501976653002301991653003002014653002402044653002302068653001802091100002202109700002802131700001702159700002502176856012602201 2014 eng d a0254-058400aPreparation and characterization of porous fly ash/NiFe2O4 composite: promising adsorbent for the removal of congo red dye from aqueous solution0 aPreparation and characterization of porous fly ashNiFe2O4 compos aPO BOX 564, 1001 LAUSANNE, SWITZERLANDbELSEVIER SCIENCE SAcNOV a371-3790 v1483 a

A series of fly ash/NiFe2O4 composites were prepared using fly ash and aqueous solutions of Ni, Fe nitrate salts and NaOH by co-precipitation followed by calcination method. The % mass ratio of fly ash: NiFe2O4 was varied in the range of 0:100 to 100:0. Samples were characterized by powder XRD, SEM, FTIR and N-2 adsorption-desorption measurements. These samples were further evaluated for their adsorptive performance in removal of Congo red (CR) dye from an aqueous solution. In all the composites, spinel nickel ferrite phase was found to be capable to get anchored with the fly ash surface and exhibited more crystalline nature as compared to pure NiFe2O4 phase. The BET surface area and porous character of the composite were found to increase with the decrease in the contribution of the fly ash, reach to maximum and then decreases on further decrease in fly ash. The composite having % mass ratio of fly ash: NiFe2O4 = 50:50 exhibited maximum CR adsorption from the aqueous solution on account of the higher BET surface area, more porous character, favorable condition for diffusion of dye molecules and combined effect of chemisorption and physisorption. Under optimum conditions, it has shown the recyclability with adsorption capacity of the magnitude 23.33 mg g(-1), which is much higher than individual fly ash, NiFe2O4 and other composites. The sorption data provided good fit with pseudo-second order kinetic model. The analyses of the adsorption data indicated that, the Langmuir model provides better correlation with the experimental data. (C) 2014 Elsevier B.V. All rights reserved.

10aAdsorption10aComposite material10aElectron microscopy (SEM)10aInorganic compounds10apowder diffraction10aPrecipitation1 aSonar, Shilpa, K.1 aNiphadkar, Prashant, S.1 aMayadevi, S.1 aJoshi, Praphulla, N. uhttps://library.ncl.res.in/content/preparation-and-characterization-porous-fly-ashnife2o4-composite-promising-adsorbent-002358nas a2200301 4500008004100000022001400041245018500055210006900240260006700309300001200376490000700388520119500395653002501590653002501615653003501640653001901675653001201694100003101706700002401737700002901761700002001790700002401810700001901834700001901853700002501872700003001897856012901927 2014 eng d a8756-793800aProtein-coated polymer as a matrix for enzyme immobilization: immobilization of trypsin on bovine serum albumin-coated allyl glycidyl ether-ethylene glycol dimethacrylate copolymer0 aProteincoated polymer as a matrix for enzyme immobilization immo a111 RIVER ST, HOBOKEN 07030-5774, NJ USAbWILEY-BLACKWELLcMAR a317-3230 v303 a

Allyl glycidyl ether (AGE)-ethylene glycol dimethacrylate (EGDM) copolymer with 25% crosslink density (AGE-25) shows excellent bovine serum albumin (BSA) adsorption (up to 16% (w/w)) at pH 8.0 and the adsorbed BSA is strongly bound. This protein-coated polymer provides a novel matrix with naturally existing functional groups such as thiol, amino, and carboxylic acid that are available for covalent immobilization of functional enzymes. Employing appropriate strategies, trypsin as a model protein was covalently bound to BSA-coated matrix both independently, and in a stepwise manner on the same matrix, with less than 5% loss of enzyme activity during immobilization. Glutaraldehyde crosslinking after immobilization provide stable enzyme preparation with activity of 510 units/g recycled up to six times without loss of enzyme activity. AFM studies reveal that the polymer surface has protein peaks and valleys rather than a uniform monolayer distribution of the protein and the immobilized enzyme preparation can best be described as polymer supported cross-linked enzyme aggregates (CLEAs). (c) 2014 American Institute of Chemical Engineers Biotechnol. Prog., 30:317-323, 2014

10aallyl glycidyl ether10aBovine serum albumin10aethylene glycol dimethacrylate10aImmobilization10aTrypsin1 aJasti, Lakshmi, Swarnalath1 aDola, Sandhya, Rani1 aKumaraguru, Thenkrishnan1 aBajja, Sreedhar1 aFadnavis, Nitin, W.1 aAddepally, Uma1 aRajdeo, Kishor1 aPonrathnam, Surendra1 aDeokar, Sarika, Babasaheb uhttps://library.ncl.res.in/content/protein-coated-polymer-matrix-enzyme-immobilization-immobilization-trypsin-bovine-serum-002190nas a2200229 4500008004100000245014400041210006900185260000800254300002300262490000700285520132200292100002501614700003901639700002101678700002101699700002101720700001901741700002501760700002001785700002401805856013101829 2014 eng d00aProteomic analysis of human plasma in chronic rheumatic mitral stenosis reveals proteins involved in the complement and coagulation cascade0 aProteomic analysis of human plasma in chronic rheumatic mitral s cSEP aArticle Number: 350 v113 aBackground: Rheumatic fever in childhood is the most common cause of Mitral Stenosis in developing countries. The disease is characterized by damaged and deformed mitral valves predisposing them to scarring and narrowing (stenosis) that results in left atrial hypertrophy followed by heart failure. Presently, echocardiography is the main imaging technique used to diagnose Mitral Stenosis. Despite the high prevalence and increased morbidity, no biochemical indicators are available for prediction, diagnosis and management of the disease. Adopting a proteomic approach to study Rheumatic Mitral Stenosis may therefore throw some light in this direction. In our study, we undertook plasma proteomics of human subjects suffering from Rheumatic Mitral Stenosis (n = 6) and Control subjects (n = 6). Six plasma samples, three each from the control and patient groups were pooled and subjected to low abundance protein enrichment. Pooled plasma samples (crude and equalized) were then subjected to in-solution trypsin digestion separately. Digests were analyzed using nano LC-MSE. Data was acquired with the Protein Lynx Global Server v2.5.2 software and searches made against reviewed Homo sapiens database (UniProtKB) for protein identification. Label-free protein quantification was performed in crude plasma only. 1 aMukherjee, Somaditya1 aJagadeeshaprasad, Mashanipalya, G.1 aBanerjee, Tanima1 aGhosh, Sudip, K.1 aBiswas, Monodeep1 aDutta, Santanu1 aKulkarni, Mahesh, J.1 aPattari, Sanjib1 aBandyopadhyay, Arun uhttps://library.ncl.res.in/content/proteomic-analysis-human-plasma-chronic-rheumatic-mitral-stenosis-reveals-proteins-involved02183nas a2200157 4500008004100000022001400041245013700055210006900192260012500261300001100386490000800397520145400405100001601859700001801875856013201893 2014 eng d a0021-960600aRationalizing the role of structural motif and underlying electronic structure in the finite temperature behavior of atomic clusters0 aRationalizing the role of structural motif and underlying electr aCIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USAbAMER INST PHYSICScAPR a1543070 v1403 a

Melting in finite size systems is an interesting but complex phenomenon. Many factors affect melting and owing to their interdependencies it is a challenging task to rationalize their roles in the phase transition. In this work, we demonstrate how structural motif of the ground state influences melting transition in small clusters. Here, we report a case with clusters of aluminum and gallium having same number of atoms, valence electrons, and similar structural motif of the ground state but drastically different melting temperatures. We have employed Born-Oppenheimer molecular dynamics to simulate the solid-like to liquid-like transition in these clusters. Our simulations have reproduced the experimental trends fairly well. Further, the detailed analysis of isomers has brought out the role of the ground state structure and underlying electronic structure in the finite temperature behavior of these clusters. For both clusters, isomers accessible before cluster melts have striking similarities and does have strong influence of the structural motif of the ground state. Further, the shape of the heat capacity curve is similar in both the cases but the transition is more spread over for Al-36 which is consistent with the observed isomerization pattern. Our simulations also suggest a way to characterize transition region on the basis of accessibility of the ground state at a specific temperature. (C) 2014 AIP Publishing LLC.

1 aSusan, Anju1 aJoshi, Kavita uhttps://library.ncl.res.in/content/rationalizing-role-structural-motif-and-underlying-electronic-structure-finite-temperature-002936nas a2200313 4500008004100000022001400041245013900055210006900194260007300263300001200336490000900348520175800357653002402115653001602139653002802155653005502183653001202238653003102250100002102281700002202302700002302324700001702347700002002364700002602384700002602410700002802436700002702464856013102491 2014 eng d a0022-286000aReaction between lawsone and aminophenol derivatives: synthesis, characterization, molecular structures and antiproliferative activity0 aReaction between lawsone and aminophenol derivatives synthesis c aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcOCT a397-4050 v10753 a

Reaction between two bioreductive reactants lawsone (2-hydroxy-1,4-napthoquinone) and derivatives 2-aminophenol without catalyst is reported. The reaction between lawsone and 4-chloro-2-aminophenol leads to formation of red colored major product 1A:[2-[(5-chloro-hydroxyphenyl)amino]naphthalene-1,4-dione] and fluorescent orange colored minor compound 1B:[10-chloro-benzo[alpha]phenoxazine-5-one]. Molecular structure of 1A and 1B were determined by single crystal X-ray diffraction. Two mechanisms were proposed to the formation of red 1A and 1B. `Ortho-para' tautomeric equilibrium was observed in DMSO-d(6) solution in 1A, which was revealed by H-1, C-13 NMR and LC-MS studies. Molecules of 1A formed dimers via N-H center dot center dot center dot O interaction and polymeric chain of dimers was formed by OH center dot center dot center dot O interactions. Cl center dot center dot center dot Cl interactions were observed between the polymeric chains of dimers in 1A. Molecules of 1B show Cl center dot center dot center dot N interaction. Antiproliferative properties is studied for 1A-5A compounds (obtained by the reaction of lawsone with 2-amino-4-methylpheno1;2A, 2-aminopheno1;3A, 3-aminophenol;4A and 4-aminophenol;5A) and evaluated against two cancer cell lines, THP1 (human monocytic leukemia cells) and COLO205 (colorectal adenocarcinoma) and one normal cell line, HEK293T (human embryonic kidney). The values of 50% inhibitory concentration (IC50) of compounds 1A-5A was determined using XTT assay. The cytotoxic effects of compounds 2A and 3A were observed against COLO205 and compounds 4A and 5A on THP1 were observed to be higher in comparison to their effect on HEK293T cell lines. (C) 2014 Elsevier B.V. All rights reserved.

10aAminonaphthoquinone10aAminophenol10aBenzo[alpha]phenoxazine10aCl center dot center dot center dot N interactions10aLawsone10api-pi stacking interaction1 aKathawate, Laxmi1 aJoshi, Pranya, V.1 aDash, Tapan, Kumar1 aPal, Sanjima1 aNikalje, Milind1 aWeyhermueller, Thomas1 aPuranik, Vedavati, G.1 aKonkimalla, Badireenath1 aSalunke-Gawali, Sunita uhttps://library.ncl.res.in/content/reaction-between-lawsone-and-aminophenol-derivatives-synthesis-characterization-molecular-002993nas a2200289 4500008004100000022001400041245017700055210006900232260008600301300001000387490000700397520189300404653002002297653002502317653001402342653002502356100002202381700001902403700002802422700001902450700002402469700001902493700002002512700002102532700002002553856013002573 2014 eng d a0739-110200aRemarkable efficiency of a pin-II proteinase inhibitor sans two conserved disulfide bonds is due to enhanced flexibility and hydrogen bond density in the reactive site loop0 aRemarkable efficiency of a pinII proteinase inhibitor sans two c a325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USAbTAYLOR & FRANCIS INCcJAN a13-260 v323 a

Capsicum annuum (L.) expresses diverse potato type II family proteinase inhibitors comprising of inhibitory repeat domain (IRD) as basic functional unit. Most IRDs contain eight conserved cysteines forming four disulfide bonds, which are indispensible for their stability and activity. We investigated the functional significance of evolutionary variations in IRDs and their role in mediating interaction between the inhibitor and cognate proteinase. Among the 18 IRDs encoded by C. annuum, IRD-7, -9, and -12 were selected for further characterization on the basis of variation in their reactive site loop, number of conserved cysteine residues, and higher theoretical G(bind) for interaction with Helicoverpa armigera trypsin. Moreover, inhibition kinetics showed that IRD-9, despite loss of some of the disulfide bonds, was a more potent proteinase inhibitor among the three selected IRDs. Molecular dynamic simulations revealed that serine residues in the place of cysteines at seventh and eighth positions of IRD-9 resulted in an increase in the density of intramolecular hydrogen bonds and reactive site loop flexibility. Results of the serine residues chemical modification also supported this observation and provided a possible explanation for the remarkable inhibitory potential of IRD-9. Furthermore, this natural variant among IRDs showed special attributes like stability to proteolysis and synergistic inhibitory effect on other IRDs. It is likely that IRDs have coevolved selective specialization of their structure and function as a response towards specific insect proteases they encountered. Understanding the molecular mechanism of pest protease-plant proteinaceous inhibitor interaction will help in developing effective pest control strategies.An animated interactive 3D complement (I3DC) is available in Proteopedia at http://proteopedia.org/w/Journal:JBSD:39

10aCapsicum annuum10aHelicoverpa armigera10aProteases10aProteinase inhibitor1 aJoshi, Rakesh, S.1 aMishra, Manasi1 aTamhane, Vaijayanti, A.1 aGhosh, Anirban1 aSonavane, Uddhavesh1 aSuresh, C., G.1 aJoshi, Rajendra1 aGupta, Vidya, S.1 aGiri, Ashok, P. uhttps://library.ncl.res.in/content/remarkable-efficiency-pin-ii-proteinase-inhibitor-sans-two-conserved-disulfide-bonds-due-002424nas a2200241 4500008004100000022001400041245014400055210006900199260009500268300001200363490000800375520148000383653001601863653003001879653002301909653001001932100002201942700002301964700002401987700002102011700002002032856013002052 2014 eng d a0006-291X00aResistance through inhibition: ectopic expression of serine protease inhibitor offers stress tolerance via delayed senescence in yeast cell0 aResistance through inhibition ectopic expression of serine prote a525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USAbACADEMIC PRESS INC ELSEVIER SCIENCEcSEP a361-3680 v4523 a

Protease inhibitors have been known to confer multiple stress tolerance in transgenic plants. We have assessed growth of yeast (Pichia pastoris GS115) strains expressing inhibitory repeat domains (PpIRD(+)) of previously characterized Capsicum annuum protease inhibitors under high salt, heavy metal and oxidative stress. PpIRD(+) strains exhibited multiple stress tolerance and showed differential molecular responses at transcriptional and translational level on exposure to stress inducing agents like heavy metal, high salt and H2O2. PpIRD(+) strains display significant reduction in metacaspase (Yca1) activity, the key enzyme in apoptosis, indicates the possibility of cross reactivity of IRDs (serine protease inhibitor) with cysteine proteases. PpIRD(+) and Saccharomyces cerevisiae knockout with Yca1 (Delta Yca1) strain showed similar growth characteristics under stress, which indicated the delayed senescence due to cellular metacaspase inhibition. Molecular docking study showed a close proximity of IRDs reactive site and the active site of metacaspase in the complex that signified their strong interactions. Maintenance of GAPDH activity, primary target of metacaspase, in PpIRD(+) strain evidenced the inhibition of metacaspase activity and survival of these cells under stress. This report demonstrates a potential molecular mechanism of protease inhibitor-based multiple stress tolerance in yeast strains. (C) 2014 Elsevier Inc. All rights reserved.

10aMetacaspase10aMultiple stress tolerance10aprotease inhibitor10aYeast1 aJoshi, Rakesh, S.1 aTanpure, Rahul, S.1 aSingh, Rajan, Kumar1 aGupta, Vidya, S.1 aGiri, Ashok, P. uhttps://library.ncl.res.in/content/resistance-through-inhibition-ectopic-expression-serine-protease-inhibitor-offers-stress-002516nas a2200217 4500008004100000022001400041245007500055210006900130260011800199300001400317490000700331520169700338100002602035700002502061700001902086700003002105700002002135700001802155700002402173856010102197 2014 eng d a1466-502600aRhodococcus enclensis sp nov., a novel member of the genus rhodococcus0 aRhodococcus enclensis sp nov a novel member of the genus rhodoco aMARLBOROUGH HOUSE, BASINGSTOKE RD, SPENCERS WOODS, READING RG7 1AG, BERKS, ENGLANDbSOC GENERAL MICROBIOLOGYcAUG a2693-26990 v643 a

A novel actinobacterial strain, designated, NIO-1009(T), was isolated from a marine sediment sample collected from Chorao Island, Goa, India. Phylogenetic analysis comparisons based on 16S rRNA gene sequences between strain MO-1009(T) and other members of the genus Rhodococcus revealed that strain NI0-1009(T) had the closest sequence similarity to Rhodococcus kroppenstedtii DSM 44908(T) and Rhodococcus corynebacterioides DSM 20151(T) with 99.2 and 99.1%, respectively. Furthermore, DNA-DNA hybridization results showed that R. kroppenstedtii DSM 44908(T) and R. corynebacterioides DSM 20151(T) were 39.5 (3.0%) and 41.7 (2.0%) with strain NIO-1009(T), respectively, which were well below the 70% limit for any novel species proposal. Phylogenetically strain NIO-1009(T) forms a stable clade with and R. kroppenstedtii DSM 44908(T) and R. corynebacterioides DSM 201511 with 100% bootstrap values. Strain NI-1009(T) contained meso-diaminopimelic acid as the diagnostic diamino acid and galactose and arabinose as the cell wall sugars. The major fatty acids were C-16:0, C-18:1 omega 9c, C-16:1(omega 6C and/or omega 7c) and 10-methyl C-18:0. The only menaquinone detected was MK-8(H-2), while the major polar lipids were diphosphatidylglycerol, phosphatidylethanolamine, phosphatidylglycerol, phosphatidylinositol, phosphatidylinositol mannoside and one unknown phospholipid. The G + C content of the genomic DNA was 66.9 molok. The phenotypic and genotypic data showed that strain NIO-1009(T) warrants recognition as a novel species of the genus Rhodococcus for which the name Rhodococcus enclensis sp. nov., is proposed; the type strain is NIO-1009(T) (=NCIM 5452(T)=DSM 45688(T)).

1 aDastager, Syed, Gulam1 aMawlankar, Rahul, R.1 aTang, Shan-Kun1 aKrishnamurthi, Srinivasan1 aRamana, Venkata1 aJoseph, Neeta1 aShouche, Yogesh, S. uhttps://library.ncl.res.in/content/rhodococcus-enclensis-sp-nov-novel-member-genus-rhodococcus-001304nas a2200217 4500008004100000022001400041245007000055210006900125260008600194300001200280490000700292520054400299653001400843653001900857653001800876653001900894653002600913100001800939700002800957856010100985 2014 eng d a0039-791100aRole of additives in chiral amine-catalyzed direct aldol reaction0 aRole of additives in chiral aminecatalyzed direct aldol reaction a325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USAbTAYLOR & FRANCIS INCcFEB a352-3600 v443 a

A systematic study of chiral adducts derived from amines as catalysts for aldol reaction revealed that enantioselective outcome depends on the chiral enamine intermediate and not the face-selective activation of aldehyde. A simple addition compound of proline and 8-hydroxy quinoline was found to be a good catalyst. [Supplementary materials are available for this article. Go to the publisher's online edition of Synthetic Communications (R) for the following free supplemental resource(s): Full experimental and spectral details.]

10aAdditives10aAldol reaction10achiral amines10aorganocatalyst10apyrrolidine-catalyzed1 aSutar, R., L.1 aJoshi, Navalkishore, N. uhttps://library.ncl.res.in/content/role-additives-chiral-amine-catalyzed-direct-aldol-reaction-002235nas a2200241 4500008004100000022001400041245015300055210006900208260010200277300001200379490000700391520122700398653001301625653002201638653002901660653003601689653004001725100002401765700002401789700002501813700002301838856013201861 2014 eng d a0250-470700aRole of iron oxide impurities in electrocatalysis by multiwall carbon nanotubes: An investigation using a novel magnetically modified ITO electrodes0 aRole of iron oxide impurities in electrocatalysis by multiwall c aC V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIAbINDIAN ACAD SCIENCEScAPR a221-2260 v373 a

The role of iron oxide impurities in the electrocatalytic properties of multiwall carbon nanotubes (MWCNTs) prepared by catalytic chemical vapour decomposition method (CCVD) is studied in detail. A novel magnetically modified electrodes have been developed by which MWCNTs were immobilized on indium-tin oxide (ITO) electrodes, without any chemical binders. The electro-catalytic oxidation of dopamine, and reduction of hydrogen peroxide have been studied by cyclic voltammetry on magnetically modified electrodes with (i) MWCNTs with occluded iron oxide impurities (Fe-MWCNTs), (ii) MWCNTs grown on iron oxide nanoparticle particulate films (Io-MWCNTs) and (iii) pristine iron oxide nanoparticle particulate film (Io-NPs). A shift towards less positive potentials for the oxidation of dopamine was observed which is in the order of Fe-MWCNTs < Io-MWCNTs < Io-NPs. Similarly, trend towards less negative potentials for the reduction of hydrogen peroxide was observed. Thus, the electrocatalytic activities displayed by MWCNTs have been attributed to the iron oxide impurities associated with it. The systematic variation was related to the nature of interaction of iron oxide nanoparticles with MWCNT surface.

10adopamine10aHydrogen peroxide10airon oxide nanoparticles10amagnetically-modified electrode10aMultiwall carbon nanotubes (MWCNTs)1 aSamant, Kanchan, M.1 aJoshi, Vrushali, S.1 aPatil, Kashinath, R.1 aHaram, Santosh, K. uhttps://library.ncl.res.in/content/role-iron-oxide-impurities-electrocatalysis-multiwall-carbon-nanotubes-investigation-using-001786nas a2200157 4500008004100000022001400041245006900055210006800124260012500192300002300317490000800340520114900348100002001497700001801517856009301535 2014 eng d a0021-960600aScaling up the shape: a novel growth pattern of gallium clusters0 aScaling up the shape a novel growth pattern of gallium clusters aCIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USAbAMER INST PHYSICScAUG aArticle No. 0543080 v1413 a

Putative global minima for Ga+N clusters with size ``N'' ranging from 49 to 70 are found by employing the Kohn-Sham formulation of the density functional theory, and their evolution is described and discussed in detail. We have discovered a unique growth pattern in these clusters, all of which are hollow core-shell structures. They evolve with size from one spherical core-shell to the next spherical core-shell structure mediated by prolate geometries, with an increase in overall diameter of the core, as well as the shell, without putting on new layers of atoms. We also present a complete picture of bonding in gallium clusters by critically analyzing the molecular orbitals, the electron localization function, and Bader charges. Bonding in these clusters is a mixture of metallic and covalent type that leans towards covalency, accompanied by marginal charge transfer from the surface to the core. Most molecular orbitals of Ga clusters are non-jellium type. Covalency of bonding is supported by a wide localization window of electron localization function, and joining of its basins along the bonds. (C) 2014 AIP Publishing LLC.

1 aKaware, Vaibhav1 aJoshi, Kavita uhttps://library.ncl.res.in/content/scaling-shape-novel-growth-pattern-gallium-clusters-002711nas a2200289 4500008004100000022001400041245014600055210006900201260007100270300001200341490000600353520162200359653005601981653002102037653001302058653002702071653003502098100001602133700002402149700001402173700001502187700001602202700002402218700003002242700002302272856012602295 2014 eng d a1936-085100aSequential electrochemical unzipping of single-walled carbon nanotubes to graphene ribbons revealed by in situ Raman spectroscopy and imaging0 aSequential electrochemical unzipping of singlewalled carbon nano a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcJAN a234-2420 v83 a

We report an in situ Raman spectroscopic and microscopic investigation of the electrochemical unzipping of single-walled carbon nanotubes (SWNTs). Observations of the radial breathing modes (RBMs) using Raman spectral mapping reveal that metallic SWNTs are opened up rapidly followed by gradual unzipping of semiconducting SWNTs. Consideration of the resonant Raman scattering theory suggests that two metallic SWNTs with chiralities (10,4) and (12, 0) get unzipped first at a lower electrode potential (036 V) followed by the gradual unzipping of another two metallic tubes, (9, 3) and (10, 1), at a relatively higher potential (1.16 V). The semiconducting SWNTs with chiralities (11, 7) and (12, 5), however, get open up gradually at +/- 1.66 V. A rapid decrease followed by a subsequent gradual decrease in the metallicity of the SWNT ensemble as revealed from a remarkable variation of the peak width of the G band complies well with the variations of RBM. Cyclic voltammetry also gives direct evidence for unzipping in terms of improved capacitance after oxidation followed by more important removal of oxygen functionalities during the reduction step, as reflected in subtle changes of the morphology confirming the formation of graphene nanoribbons. The density functional-based tight binding calculations show additional dependence of chirality and diameter of nanotubes on the epoxide binding energies, which is in agreement with the Raman spectroscopic results and suggests a possible mechanism of unzipping determined by combined effects of the structural characteristics of SWNTs and applied field.

10adensity functional-based tight binding calculations10aElectrochemistry10agraphene10aRaman spectral mapping10asingle-walled carbon nanotubes1 aJohn, Robin1 aShinde, Dhanraj, B.1 aLiu, Lili1 aDing, Feng1 aXu, Zhiping1 aVijayan, Cherianath1 aPillai, Vijayamohanan, K.1 aPradeep, Thalappil uhttps://library.ncl.res.in/content/sequential-electrochemical-unzipping-single-walled-carbon-nanotubes-graphene-ribbons-001810nas a2200265 4500008004100000022001400041245009000055210006900145260007100214300001200285490000600297520089200303653002301195653001801218653001101236653001801247653001001265100002501275700002101300700002501321700002801346700002501374700002901399856011601428 2014 eng d a2168-048500aSingle-pot formation of THFAL via catalytic hydrogenation of FFR over Pd/MFI catalyst0 aSinglepot formation of THFAL via catalytic hydrogenation of FFR  a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcFEB a272-2810 v23 a

Furfural (FFR) was selectively hydrogenated in a single pot to tetrahydrofurfuryl alcohol (THFAL) over a Si MFI molecular sieve supported Pd catalyst. Studies on catalyst screening revealed that both the metal function and the support were critical for directing the selectivity to the ringhydrogenated product, THFAL. The structural feature of MFI as shown by XRD was completely retained in the used sample of the 3% Pd/MFI catalyst confirming its stability under reaction conditions. XRD, along with SEM characterization of the used samples, established retention of morphology of the structured silicate, suggesting a strong interaction between hexagonal porous silicate and Pd particles. The complete conversion of FFR with an enhanced selectivity of 95% to THFAL could be achieved by recycling the crude of the first hydrogenation experiment over the same 3% Pd/MFI catalyst.

10aBiomass conversion10aHydrogenation10aPd/MFI10aRecyclability10aTHFAL1 aBiradar, Narayan, S.1 aHengne, Amol, M.1 aBirajdar, Shobha, N.1 aNiphadkar, Prashant, S.1 aJoshi, Praphulla, N.1 aRode, Chandrashekhar, V. uhttps://library.ncl.res.in/content/single-pot-formation-thfal-catalytic-hydrogenation-ffr-over-pdmfi-catalyst-001790nas a2200193 4500008004100000022001400041245012100055210006900176260011000245300001600355490000600371520098900377100001401366700002201380700001801402700001901420700002901439856012801468 2014 eng d a2046-206900aSolvothermal synthesis of mesoporous manganese oxide with enhanced catalytic activity for veratryl alcohol oxidation0 aSolvothermal synthesis of mesoporous manganese oxide with enhanc aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcAPR a19450-194550 v43 a

Catalyst activities of manganese and cobalt oxides prepared by solvothermal and co-precipitation methods were studied for veratryl alcohol oxidation. Manganese oxides showed higher activity performance than that of cobalt oxides irrespective of the method of preparation. The solvothermal method yielded mesoporous manganese oxide without using any template giving mixed phases of monoclinic Mn5O8 and hausmannite Mn3O4. The mesoporous manganese oxide exhibited excellent activity for liquid phase aerobic oxidation of veratryl alcohol under base free conditions, with 90% conversion and almost complete selectivity towards veratraldehyde. The detailed characterization results on morphology, size and composition of the prepared mesoporous manganese oxide obtained by XRD, XPS, H-2-TPR, N-2 adsorption-desorption isotherms, FESEM and HR-TEM techniques were used to understand the role of morphological and structural features in enhancement of the observed catalytic activity.

1 aJha, Ajay1 aChandole, Tejansh1 aPandya, Rajan1 aRoh, Hyun-Seog1 aRode, Chandrashekhar, V. uhttps://library.ncl.res.in/content/solvothermal-synthesis-mesoporous-manganese-oxide-enhanced-catalytic-activity-veratryl-001835nas a2200241 4500008004100000022001400041245011900055210006900174260010600243300001200349490000800361520094000369653001901309653001101328653002601339653000801365653002601373100001901399700001901418700001601437700001801453856012201471 2014 eng d a1386-142500aSpectroscopic and antibacterial studies of new octaazamacrocyclic complexes derived from carbohydrazide and isatin0 aSpectroscopic and antibacterial studies of new octaazamacrocycli aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcJUL a243-2470 v1283 a

A novel series of the macrocyclic complexes of the type: [M(C18H14N10O2)X-2], where M = Co(II), Ni(II), Cu(II) and Zn(II); X = Cl-, NO3- and CH3COO-, has been synthesized by template condensation of carbohydrazide and isatin in methanolic medium. The complexes were characterized by various physico-chemical techniques, such as elemental analyses, molar conductance measurements, magnetic measurements, and electronic, NMR, IR and EPR spectral studies. The low value of molar conductance indicates them to be non-electrolytes. Based on various studies, a distorted octahedral geometry was proposed for all the metal complexes. Metal complexes were tested for their in vitro antibacterial activities against some pathogenic bacterial strains and compared with standard antibiotic, Ciprofloxacin. Some of the tested complexes was found effective against Gram-positive bacterial strains. (C) 2014 Elsevier B.V. All rights reserved.

10aCarbohydrazide10aIsatin10aMacrocyclic complexes10aMIC10aTemplate condensation1 aKumar, Krishan1 aKamboj, Monika1 aJain, Kiran1 aSingh, D., P. uhttps://library.ncl.res.in/content/spectroscopic-and-antibacterial-studies-new-octaazamacrocyclic-complexes-derived-001199nas a2200217 4500008004100000022001400041245012700055210006900182260007700251300001400328520034900342653001400691653001400705653001900719653002200738653002100760100002000781700003200801700001900833856012900852 2014 eng d a1434-193X00aStereoselective approach to 2,6-disubstituted piperidin-3-ol: synthesis of (-)-deoxoprosopinine and (+)-deoxoprosophylline0 aStereoselective approach to 26disubstituted piperidin3ol synthes aBOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANYbWILEY-V C H VERLAG GMBHcAUG a4897-49023 a

A simple and highly efficient approach to an enantioenriched 2,6-disubstituted piperidin-3-ol skeleton is developed from an aldehyde as a starting material by using organocatalytic and asymmetric dihydroxylation as the key steps. Its application to the total synthesis of (-)-deoxoprosopinine and (+)-deoxoprosophylline is also reported.

10aalkaloids10aAmination10aAmino alcohols10asynthetic methods10aWittig reactions1 aJha, Vishwajeet1 aKauloorkar, Shruti, Vandana1 aKumar, Pradeep uhttps://library.ncl.res.in/content/stereoselective-approach-26-disubstituted-piperidin-3-ol-synthesis-deoxoprosopinine-and-001183nas a2200181 4500008004100000022001400041245016500055210006900220260011000289300001400399490000700413520036300420100003200783700002000815700002400835700001900859856012300878 2014 eng d a1477-052000aStereoselective approach to indolizidine and pyrrolizidine alkaloids: total synthesis of (-)-lentiginosine, (-)-epi-lentiginosine and (-)-dihydroxypyrrolizidine0 aStereoselective approach to indolizidine and pyrrolizidine alkal aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcMAY a4454-44600 v123 a

A simple and highly efficient approach to hydroxylated pyrrolizidine and indolizidine is developed from an aldehyde as a starting material using organocatalytic and asymmetric dihydroxylation reactions as key steps. Its application to the total synthesis of (-)-lentiginosine, (-)-epi-1,2-lentiginosine and (-)-dihydroxypyrrolizidine is also reported.

1 aKauloorkar, Shruti, Vandana1 aJha, Vishwajeet1 aJogdand, Ganesh, F.1 aKumar, Pradeep uhttps://library.ncl.res.in/content/stereoselective-approach-indolizidine-and-pyrrolizidine-alkaloids-total-synthesis-002772nas a2200241 4500008004100000022001400041245012800055210006900183260007300252300001200325490000800337520181200345653003102157653002202188653003702210653003102247653002402278100002402302700002502326700002302351700002602374856013002400 2014 eng d a0378-517300aStructure function attributes of gold nanoparticle vaccine association: effect of particle size and association temperature0 aStructure function attributes of gold nanoparticle vaccine assoc aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcAUG a439-4480 v4713 a

Many biotherapeutic applications of gold nanoparticles make use of conjugated or adsorbed protein moieties. Physical parameters of association such as particle size, morphology, surface chemistry and temperature influences the protein-nanoparticle association and thereby their interaction with the biological environment. In present study, effect of size of chitosan reduced gold nanoparticles (CsAuNPs) and association temperature on structure and function of tetanus toxoid (TT) vaccine has been investigated. CsAuNPs were synthesized in the sizes of 20 + 3, 40 + 5 and 80 + 7 nm followed by loading of TT. Binding process of CsAuNPs with TT was investigated at their predetermined micro molar concentrations. Upon binding of TT onto CsAuNPs, particle surface was characterized using X-ray photoelectron spectroscopy. CD spectroscopic evaluation of TT bound 20 nm CsAuNPs led to 75% reduction in secondary structure of TT and thereby compromised immune function. Binding of TT with 40 and 80 nm sized CsAuNPs did not cause significant modifications in secondary structure or function of TT. Thermodynamic studies using temperature dependent fluorescence spectroscopy revealed an increase in association constants with the temperature. Based on thermodynamic data three phases in CsAuNPs and TT association process were traced. Samples from these distinct phases were also investigated for immunological recognition. Ex-vivo interaction of TT-CsAuNPs with TT positive and negative sera followed by relative change in particle size and zeta potential was studied. The findings here suggests prominent role of particle size and association temperature on adsorbed TT structure and function. Such studies may help in engineering functional nanotherapeutics. (C) 2014 Elsevier B.V. All rights reserved.

10aAssociation thermodynamics10aGold nanoparticle10aNanoparticle protein interaction10aStructure function studies10aVaccine formulation1 aBarhate, Ganesh, A.1 aGaikwad, Sushama, M.1 aJadhav, Suresh, S.1 aPokharkar, Varsha, B. uhttps://library.ncl.res.in/content/structure-function-attributes-gold-nanoparticle-vaccine-association-effect-particle-size-002446nas a2200325 4500008004100000022001400041245015900055210006900214260005700283300001400340490000800354520126400362653003101626653002801657653001301685653001501698653001601713653001801729653002701747653001501774100002801789700002101817700002701838700002401865700002401889700002601913700002601939700002501965856013001990 2014 eng d a0303-402X00aStudies on morphology of polyaniline films formed at liquid-liquid and solid-liquid interfaces at 25 and 5 A degrees C, respectively, and effect of doping0 aStudies on morphology of polyaniline films formed at liquidliqui a233 SPRING ST, NEW YORK, NY 10013 USAbSPRINGERcMAY a1079-10890 v2923 a

It is well accepted that the morphology of the nanomaterials has great effect on the properties and hence their applications. Therefore, morphology of materials has become a focus of research in the scientific world. The present study shows that interfacial polymerization and subsequent self-assembly provides a control over the morphology, nanorod/nanosheet, of polyaniline (PANI) films synthesized by liquid-liquid interface reaction technique and solid-liquid interface reaction technique. The synthesized PANI films and its particulate structure are characterized by using various spectroscopic techniques such as UV-visible, ATR-IR, Raman and XPS. The study confirmed the formation, the structure, the size and shape of particles and morphology of PANI by using analytical techniques namely, SAED, SEM and TEM. An important observation is that doping with HCl significantly improves the nanorod formation at the interface. The doped PANI electrode exhibits a higher area with rectangular shape in CV cycle and better cycle stability when compared with the performance of undoped PANI films. We believe that the results of these studies can give valuable leads to manoeuvre formation of PANI films with desired morphology for various applications.

10ainterfacial polymerization10aLiquid-liquid interface10aNanorods10ananosheets10apolyaniline10aSelf-assembly10aSolid-liquid interface10aThin films1 aWaghmode, Babasaheb, J.1 aPatil, Sagar, H.1 aJahagirdar, Mandar, M.1 aPatil, Virendra, S.1 aWaichal, Rupali, P.1 aMalkhede, Dipalee, D.1 aSathaye, Shivaram, D.1 aPatil, Kashinath, R. uhttps://library.ncl.res.in/content/studies-morphology-polyaniline-films-formed-liquid-liquid-and-solid-liquid-interfaces-25-002009nas a2200217 4500008004100000022001400041245014500055210006900200260009900269300001200368490000700380520113300387653001901520653002101539653001901560653002001579653001401599100002801613700002501641856012501666 2014 eng d a0955-221900aStudies on the effect of sintering conditions on the magnetostriction characteristics of cobalt ferrite derived from nanocrystalline powders0 aStudies on the effect of sintering conditions on the magnetostri aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLANDbELSEVIER SCI LTDcMAR a677-6860 v343 a

The effect of sintering conditions on the magnetostriction characteristics of sintered cobalt ferrite derived from nanocrystalline powders is studied. It is observed that the magnetostriction coefficient as well as the slope of the magnetostriction as a function of field depends on the microstructure of the sintered product. There is a direct correlation between the magnetostriction characteristics and density as well as porosity of the sintered products. Intragranular pores are found to be strongly influencing the magnetostriction characteristics. Similarly, correlation is found between the magnetostriction parameters and the Curie temperature, indicating the role of cation distribution which affects the magnetic anisotropy. Sintering the compacts made from nanocrystalline powders at 1450 degrees C for a very short duration is found to give high values of magnetostriction coefficient. However, higher values of magnetostriction at low magnetic fields are obtained for samples sintered at lower temperatures for longer duration and having relatively lower density. (C) 2013 Elsevier Ltd. All rights reserved.

10aCobalt ferrite10aMagnetostriction10aMicrostructure10aNanocrystalline10aSintering1 aMohaideen, Kamal, Khaja1 aJoy, Pattayil, Alias uhttps://library.ncl.res.in/content/studies-effect-sintering-conditions-magnetostriction-characteristics-cobalt-ferrite-001372nas a2200205 4500008004100000022001400041245007000055210006900125260010300194300001400297490000700311520062200318653001900940653001900959653002200978653001901000100001801019700002801037856010101065 2014 eng d a0376-469900aStudy of base-catalyzed aldol reaction of trimethylsilyl enolates0 aStudy of basecatalyzed aldol reaction of trimethylsilyl enolates aANUSANDHAN BHAWAN, 2 RAFI MARG, NEW DELHI, 110001, INDIAbCOUNCIL SCIENTIFIC & INDUSTRIAL REScDEC a1553-15600 v533 a

Mukaiyama-type aldol reaction of trimethylsilyl enolates with aldehydes in the presence of a base is a complicated reaction. It usually results in various products determined by the nature of base and reaction medium. The present study has been undertaken to understand these factors and design new Lewis base catalysts to optimize the yield of desired aldol product. It has been shown that mild Bronsted base with inbuilt hydrogen bonding sites are efficient catalysts for the reactions involving trimethylsilyl enolates. Based on the observed results, a mechanism is proposed to explain the reaction outcome.

10aAldol reaction10abase catalyzed10acarboxylate salts10alithium amides1 aSutar, R., L.1 aJoshi, Navalkishore, N. uhttps://library.ncl.res.in/content/study-base-catalyzed-aldol-reaction-trimethylsilyl-enolates-001424nas a2200229 4500008004100000022001400041245008600055210006900141260007700210300001200287490000700299520055300306653002400859653003000883653003800913653002500951100002600976700002001002700002501022700002801047856011901075 2014 eng d a0934-086600aSynthesis and reactivity of magnetically diverse Au@ Ni core-shell nanostructures0 aSynthesis and reactivity of magnetically diverse Au Ni coreshell aBOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANYbWILEY-V C H VERLAG GMBHcFEB a236-2440 v313 a

Core-shell bimetallic Au@Ni nanoparticles, with gold cores and thin nickel shells with overall size less than 10 nm, are synthesized and stabilized in pure cubic (fcc) and hexagonal (hcp) phase. Due to their unique crystal, electronic, and geometric structure, they show interesting magnetic and chemical properties. The Au@Ni-fcc is magnetic, whereas Au@Ni-hcp is non-magnetic. Both the bimetallic nanostructures are stable to surface oxidation until 150 degrees C and show excellent catalytic activity for p-nitrophenol reduction reaction.

10aAu-Ni nanoparticles10abimetallic nanostructures10amagnetic core-shell nanoparticles10aoxidation resistance1 aBharathan, Vysakh, A.1 aRaj, Govind, K.1 aJoy, Pattayil, Alias1 aVinod, Chathakudath, P. uhttps://library.ncl.res.in/content/synthesis-and-reactivity-magnetically-diverse-au-ni-core-shell-nanostructures-002351nas a2200205 4500008004100000022001400041245013900055210006900194260005700263300001400320490000700334520155300341100002201894700002001916700001801936700002701954700001801981700001801999856012802017 2014 eng d a0022-246100aSynthesis, characterization and photocatalytic behavior of TiO2-SiO2 mesoporous composites in hydrogen generation from water splitting0 aSynthesis characterization and photocatalytic behavior of TiO2Si a233 SPRING ST, NEW YORK, NY 10013 USAbSPRINGERcSEP a6383-63910 v493 a

TiO2-SiO2 mesoporous composite photocatalysts with different proportions (in wt%) of TiO2 and SiO2 (TiO2-SiO2 = 20:80, 40:60, 60:40, 80:20 and 100:0) were prepared by loading TiO2 on as-synthesized Si-MCM-41 using sol-gel method. The physicochemical properties of composites were investigated by powder X-ray diffraction, N-2 adsorption-desorption measurements, transmission electron microscopy and UV-Vis diffuse reflectance spectroscopy. It is revealed that the titanium species are dispersed as TiO2 having interaction with the surface of the support. Even at high TiO2 loading, the mesostructural feature of MCM-41 was found to be intact without pore blockages. The change in morphology of TiO2 particle was observed with increase in TiO2 loading which may be due to different environment for the growth of TiO2. The photocatalytic evaluation of composites was carried out in production of hydrogen by water splitting. Among the prepared samples, mesoporous composite containing 60 % TiO2 (MTi60) has shown the best results (0.08805 mmol of H-2/h/g of TiO2) compared to other composite photocatalysts. The catalytic performance of this sample was further enhanced (similar to 8 times) after loading 1 % Pt in water splitting (0.70161 mmol of H-2/h/g of TiO2). 1 % Pt loaded on pure TiO2 (MTi100) showed hydrogen evolution of the magnitude 0.26 mmol of H-2/h/g of TiO2. TiO2-SiO2 mesoporous composite photocatalyst showed much higher activity (similar to 1.9 times) than amorphous silica-embedded titania catalyst having same composition.

1 aNiphadkar, P., S.1 aChitale, S., K.1 aSonar, S., K.1 aDeshpande, Suvarna, S.1 aJoshi, P., N.1 aAwate, S., V. uhttps://library.ncl.res.in/content/synthesis-characterization-and-photocatalytic-behavior-tio2-sio2-mesoporous-composites-001788nas a2200241 4500008004100000020002200041245009400063210006900157260007100226300001400297520094700311653002101258653002701279653000801306653000801314653000801322100001801330700001801348700001801366700002101384700001801405856012301423 2014 eng d a978-1-4799-3080-700aTo study non linear features in circadian heart rate variability amongst healthy subjects0 aTo study non linear features in circadian heart rate variability aNew Delhi, IndiabIEEE, 345 E 47th ST, New York, NY 10017 USAcSEP a1921-19273 a

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

10aCircadian Rhythm10aCorrelation Dimensions10aDFA10aECG10aHRV1 aTajane, Kapil1 aPitale, Rahul1 aPhadke, Leena1 aJoshi, Aniruddha1 aUmale, Jayant uhttps://library.ncl.res.in/content/study-non-linear-features-circadian-heart-rate-variability-amongst-healthy-subjects01397nas a2200169 4500008004100000022001400041245010900055210006900164260011000233300001400343490000700357520066900364100001801033700002401051700002101075856013101096 2014 eng d a1477-052000aTotal synthesis of an anticancer norsesquiterpene alkaloid isolated from the fungus flammulina velutipes0 aTotal synthesis of an anticancer norsesquiterpene alkaloid isola aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcAPR a4098-41030 v123 a

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

1 aKashinath, K.1 aJadhav, Prakash, D.1 aReddy, Srinivasa uhttps://library.ncl.res.in/content/total-synthesis-anticancer-norsesquiterpene-alkaloid-isolated-fungus-flammulina-velutipes-002870nas a2200265 4500008004100000022001400041245014500055210006900200260007100269300001400340490000600354520191100360653001202271653002802283653001302311653001402324653001902338653001702357653001402374653002502388100001502413700001602428700003002444856013002474 2014 eng d a2155-543500aTowards a sustainable and near ambient DeNO(x) under lean burn conditions: a revisit to no reduction on virgin and modified pd(111) surfaces0 aTowards a sustainable and near ambient DeNOx under lean burn con a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcJUN a1801-18110 v43 a

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

10adeNO(x)10aheterogeneous catalysis10aHydrogen10alean burn10amolecular beam10anitric oxide10aPalladium10asurface modification1 aRoy, Kanak1 aJain, Ruchi1 aGopinath, Chinnakonda, S. uhttps://library.ncl.res.in/content/towards-sustainable-and-near-ambient-denox-under-lean-burn-conditions-revisit-no-reduction02258nas a2200229 4500008004100000022001400041245010600055210006900161260011000230300001400340490000600354520135600360100001401716700002401730700002201754700002201776700001901798700002501817700002501842700002901867856013201896 2014 eng d a2044-475300aTriple nanocomposites of CoMn2O4, Co3O4 and reduced graphene oxide for oxidation of aromatic alcohols0 aTriple nanocomposites of CoMn2O4 Co3O4 and reduced graphene oxid aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcMAY a1771-17780 v43 a

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

1 aJha, Ajay1 aMhamane, Dattakumar1 aSuryawanshi, Anil1 aJoshi, Sameer, M.1 aShaikh, Parvez1 aBiradar, Narayan, S.1 aOgale, Satishchandra1 aRode, Chandrashekhar, V. uhttps://library.ncl.res.in/content/triple-nanocomposites-comn2o4-co3o4-and-reduced-graphene-oxide-oxidation-aromatic-alcohols-002128nas a2200289 4500008004100000022001400041245013100055210006900186260007100255300001600326490000700342520109100349653001701440653002501457653002601482653002301508100002201531700001701553700001501570700002201585700001701607700002301624700002201647700002101669700002001690856012801710 2014 eng d a0021-856100aWay toward ``dietary pesticides'': molecular investigation of insecticidal action of caffeic acid against helicoverpa armigera0 aWay toward dietary pesticides molecular investigation of insecti a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcNOV a10847-108540 v623 a

Bioprospecting of natural molecules is essential to overcome serious environmental issues and pesticide resistance in insects. Here we are reporting insights into insecticidal activity of a plant natural phenol. In silico and in vitro screening of multiple molecules supported by in vivo validations suggested that caffeic acid (CA) is a potent inhibitor of Helicoverpa armigera gut proteases. Protease activity and gene expression were altered in CA-fed larvae. The structure-activity relationship of CA highlighted that all the functional groups are crucial for inhibition of protease activity. Biophysical studies and molecular dynamic simulations revealed that sequential binding of multiple CA molecules induces conformational changes in the protease(s) and thus lead to a significant decline in their activity. CA treatment significantly inhibits the insect's detoxification enzymes, thus intensifying the insecticidal effect. Our findings suggest that CA can be implicated as a potent insecticidal molecule and explored for the development of effective dietary pesticides.

10aCaffeic acid10aHelicoverpa armigera10ainsecticidal activity10aprotease inhibitor1 aJoshi, Rakesh, S.1 aWagh, T., P.1 aSharma, N.1 aMulani, Fayaj, A.1 aSonavane, U.1 aThulasiram, H., V.1 aJoshi, Rakesh, S.1 aGupta, Vidya, S.1 aGiri, Ashok, P. uhttps://library.ncl.res.in/content/way-toward-dietary-pesticides-molecular-investigation-insecticidal-action-caffeic-acid-002351nas a2200277 4500008004100000022001400041245010100055210006900156260005700225300001000282490000700292520140100299653001901700653000801719653002201727653002101749653001301770653002201783100002101805700002301826700002101849700002601870700002101896700002501917856013101942 2015 eng d a1572-388700aAcid stability of the kinetically stable alkaline serine protease possessing polyproline II fold0 aAcid stability of the kinetically stable alkaline serine proteas a233 SPRING ST, NEW YORK, NY 10013 USAbSPRINGERcFEB a60-670 v343 a

The kinetically stable alkaline serine protease from Nocardiopsis sp.; NprotI, possessing polyproline II fold (PPII) was characterized for its pH stability using proteolytic assay, fluorescence and Circular Dichroism (CD) spectroscopy, and Differential Scanning Calorimetry (DSC). NprotI was found to be functionally stable when incubated at pH 1.0, even after 24 h, while after incubation at pH 10.0, drastic loss in the activity was observed. The enzyme showed enhanced activity after incubation at pH 1.0 and 3.0, at higher temperature (50-60 A degrees C). NprotI maintained the overall PPII fold in broad pH range as seen using far UV CD spectroscopy. The PPII fold of NprotI incubated at pH 1.0 remained fairly intact up to 70 A degrees C. Based on the isodichroic point and T-m values revealed by secondary structural transitions, different modes of thermal denaturation at pH 1.0, 5.0 and 10.0 were observed. DSC studies of NprotI incubated at acidic pH (pH 1.0-5.0) showed T-m values in the range of 74-76 A degrees C while significant decrease in T-m (63.8 A degrees C) was observed at pH 10.0. NprotI could be chemically denatured at pH 5.0 (stability pH) only with guanidine thiocynate. NprotI can be classified as type III protein among the three acid denatured states. Acid tolerant and thermostable NprotI can serve as a potential candidate for biotechnological applications.

10aAcid stability10aDSC10aKinetic stability10aPolyproline fold10aProtease10aThermal unfolding1 aRohamare, Sonali1 aJavdekar, Vaishali1 aDalal, Sayli, A.1 aNareddy, Pavan, Kumar1 aSwamy, Musti, J.1 aGaikwad, Sushama, M. uhttps://library.ncl.res.in/content/acid-stability-kinetically-stable-alkaline-serine-protease-possessing-polyproline-ii-fold-002239nas a2200325 4500008004100000022001400041245008400055210006900139260009200208300001400300490000700314520115100321653002201472653002101494653001401515653002401529653001601553653002601569653001901595100001801614700002301632700001601655700002101671700002301692700002201715700002101737700001701758700002001775856011801795 2015 eng d a1478-641900aAntimicrobial activity of plant extracts against sexually transmitted pathogens0 aAntimicrobial activity of plant extracts against sexually transm a4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLANDbTAYLOR & FRANCIS LTDcAUG a1562-15660 v293 a

Comprehensive management of sexually transmitted infections (STIs) using vaginal or rectal microbicide-based intervention is one of the strategies for prevention of HIV infection. Herbal products have been used for treating STIs traditionally. Herein, we present in vitro activity of 10 plant extracts and their 34 fractions against three sexually transmitted/reproductive tract pathogens - Neisseria gonorrhoeae, Haemophilus ducreyi and Candida albicans. The plant parts were selected; the extracts/fractions were prepared and screened by disc diffusion method. The minimum inhibitory and minimum cidal concentrations were determined. The qualitative phytochemical analysis of selected extracts/fractions showing activity was performed. Of the extracts/fractions tested, three inhibited C. albicans, ten inhibited N. gonorrhoeae and five inhibited H. ducreyi growth. Our study demonstrated that Terminalia paniculata Roth. extracts/fractions inhibited growth of all three organisms. The ethyl acetate fraction of Syzygium cumini Linn. and Bridelia retusa (L.) Spreng. extracts was found to inhibit N. gonorrhoeae at lowest concentrations.

10aanti-STI activity10aCandida albicans10afractions10aHaemophilus ducreyi10amicrobicide10aNeisseria gonorrhoeae10aplant extracts1 aJadhav, Nutan1 aKulkarni, Sangeeta1 aMane, Arati1 aKulkarni, Roshan1 aPalshetker, Aparna1 aSingh, Kamalinder1 aJoshi, Swati, P.1 aRisbud, Arun1 aKulkarni, Smita uhttps://library.ncl.res.in/content/antimicrobial-activity-plant-extracts-against-sexually-transmitted-pathogens-001529nas a2200181 4500008004100000245009000041210006900131260000800200300001000208490000600218520089800224100002901122700002101151700002401172700001901196700002101215856011101236 2015 eng d00aAntimycobacterium activity of coumarins from fruit pulp of aegle marmelos (L.) correa0 aAntimycobacterium activity of coumarins from fruit pulp of aegle cJUL a39-440 v53 a

Phytochemical investigation of n-butanol fraction of acetone extract of Aegle marmelos fruit has afforded four compounds coumarins marmelosin (1), marmin (2) and xanthotoxol (3) and flavonoid kaempferol 3- O-rhamnoside, afzelin (4). All the isolated compounds were evaluated for their antimycobacterium activity against Mycobacterium tuberculosis H37Ra and Mycobacterium bovis. Compounds 1 and 2 exhibited antimycobacterium activity against M. tuberculosis H37Ra with an IC50 12.46 µg/mL and 4.31 µg/mL respectively whereas, at 100 µg/mL, 62.5% and 82.4% growth inhibition of M. bovis was observed respectively. Compounds 1 and 2 were also evaluated against two gram positive bacteria Staphylococcus aureus, Bacillus subtilis and one gram negative bacteria Escherichia coli. Compound 1 at 100 µg/mL, showed growth inhibition, 64.6% and 74.9% of E. coli and B. subtilis respectively.

1 aChinchansure, Ashish, A.1 aShamnani, Neelam1 aArkile, Manisha, A.1 aSarkar, Dhiman1 aJoshi, Swati, P. uhttps://library.ncl.res.in/content/antimycobacterium-activity-coumarins-fruit-pulp-aegle-marmelos-l-correa01648nas a2200217 4500008004100000022001400041245006800055210006800123260006900191300001200260490000800272520091800280653001801198653001301216653001701229653002201246653001601268100002201284700002901306856009501335 2015 eng d a0925-400500aApproach to modulate the sensing range of molecular transducers0 aApproach to modulate the sensing range of molecular transducers aPO BOX 564, 1001 LAUSANNE, SWITZERLANDbELSEVIER SCIENCE SAcSEP a461-4660 v2163 a

Transduction occurs upon binding of an analyte with a transducer. Specific binding involves the design and synthesis of receptors that is non trivial. Indeed, the task of designing a receptor for the smallest anion fluoride is very challenging. Herein, we take advantage of the basicity of fluoride ions that has affinity toward acidic proton. A commercially available 6-bromoisatin can sense fluoride ion in the concentration range of 0.5-3.9 ppm. Although the sensor is reaction based, the response is rapid. To further increase the linear range, dibromoisoindigo was synthesized. The linear range of this transducer was found to be between 0.5 ppm and 10.4 ppm. The transducer can be regenerated by adding proton source such as trifluoroacetic acid. Thus, transducers with variable sensing range have been designed and synthesized using acid base interaction. (C) 2015 Elsevier B.V. All rights reserved.

10aAcidic proton10aBasicity10aFluoride ion10aReversible sensor10aTransducers1 aJain, Bhanprakash1 aDharmapurikar, Satej, S. uhttps://library.ncl.res.in/content/approach-modulate-sensing-range-molecular-transducers-001385nas a2200193 4500008004100000022001400041245011000055210006900165260007100234300001400305490000700319520061700326100002500943700002900968700002500997700001601022700002501038856012801063 2015 eng d a1523-706000aAsymmetric transfer hydrogenation of imines in water by varying the ratio of formic acid to triethylamine0 aAsymmetric transfer hydrogenation of imines in water by varying  a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcJUN a2878-28810 v173 a

Asymmetric transfer hydrogenation (ATH) of imines has been performed with variation in formic acid (F) and triethylamine (T) molar ratios in water. The F/T ratio is shown to affect both the reduction rate and enantioselectivity, with the optimum ratio being 1.1 in the ATH of imines with the Rh-(1S,2S)-TsDPEN catalyst. Use of methanol as a cosolvent enhanced reduction activity. A variety of imine substrates have been reduced, affording high yields (94-98%) and good to excellent enantioselectivities (89-98%). In comparison with the common azeotropic F-T system, the reduction with 1.1/1 F/T is faster.

1 aShende, Vaishali, S.1 aDeshpande, Sudhindra, H.1 aShingote, Savita, K.1 aJoseph, Anu1 aKelkar, Ashutosh, A. uhttps://library.ncl.res.in/content/asymmetric-transfer-hydrogenation-imines-water-varying-ratio-formic-acid-triethylamine-001380nas a2200193 4500008004100000022001400041245008100055210006900136260011000205300001600315490000700331520063000338100002100968700002400989700001901013700002401032700002001056856011001076 2015 eng d a1359-734500aAsymmetric vinylogous michael reaction of cyclic enones with silyloxy furans0 aAsymmetric vinylogous michael reaction of cyclic enones with sil aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcJUL a13941-139440 v513 a

The asymmetric vinylogous Michael reaction of cyclohexenone/medium and large cyclic enones with 2-silyloxyfuran is still a synthetic challenge. In this report, we have explored 1,4-conjugate addition of an enantioselective chiral, primary diamine catalyzed, 2-silyloxy furan to various cyclic enones and beta-substituted cyclic enones. The reaction provided syn-Michael adducts (cycloalkane connected gamma-butenolide) with good yields, diastereo and enantioselectivities. Furthermore, the synthetic potential of these syn-Michael adducts is demonstrated by 1,4-addition of nucleophiles on the butenolide substructure.

1 aJadhav, Amol, P.1 aRao, V., U. Bhaskar1 aSingh, Pradeep1 aGonnade, Rajesh, G.1 aSingh, Ravi, P. uhttps://library.ncl.res.in/content/asymmetric-vinylogous-michael-reaction-cyclic-enones-silyloxy-furans-002272nas a2200217 4500008004100000022001400041245006100055210006100116260011800177300001400295490000700309520148700316100002601803700002501829700001701854700001801871700003001889700001801919700002401937856009301961 2015 eng d a1466-502600aBacillus encimensis sp nov isolated from marine sediment0 aBacillus encimensis sp nov isolated from marine sediment aMARLBOROUGH HOUSE, BASINGSTOKE RD, SPENCERS WOODS, READING RG7 1AG, BERKS, ENGLANDbSOC GENERAL MICROBIOLOGYcMAY a1421-14250 v653 a

A Gram-stain-positive, rod-shaped, endospore-forming, aerobic bacterium designated SGD-V-25(T) was isolated from Veraval sediment sample, India. Strain SGD-V-25(T) was capable of growing at 25-50 degrees C (optimum 37 degrees C), pH 6-12 (optimum pH 7.0) and with 0-5 % (w/v) NaCl. The taxonomic position of this strain was deduced using a polyphasic approach and the 16S rRNA gene sequence analysis showed that the isolate belongs to the phylum Firmicutes, forming the cluster with Bacillus badius MTCC 1548(T), with which it shares highest similarity of 99.1 % with 13 nt differences. Other type strains of the genus Bacillus showed less than 96% similarity. The cell wall contained meso-diaminopimelic acid as the diagnostic diamino acid. The polar lipid profile of strain SGD-V-25(T) showed the presence of diphosphatidylglycerol, phosphatidylglycerol, phsophoglycolipid and two aminophospholipids. The predominant isoprenoid quinone was MK-7. The major cellular fatty acids were iso-C-15:0, anteiso-C-15:0, anteiso-C-17:0 iso-C-16:0, C-16:1 omega 11c and C-16:0. The genomic DNA G + C content of strain SGD-V-25(T) was 37.6 molok. On the basis of phenotypic characteristics, phylogenetic analysis and DNA-DNA hybridization, strain SGD-V-25(T) could be clearly distinguished from closely related members of the genus Bacillus, and the name Bacillus encimensis sp. nov., is proposed to accommodate this strain. The type strain is SGD-V-25(T) (= NCIM 5513(T)=DSM 28241(T)).

1 aDastager, Syed, Gulam1 aMawlankar, Rahul, R.1 aMual, Poonam1 aVerma, Ashish1 aKrishnamurthi, Srinivasan1 aJoseph, Neeta1 aShouche, Yogesh, S. uhttps://library.ncl.res.in/content/bacillus-encimensis-sp-nov-isolated-marine-sediment-002460nas a2200253 4500008004100000022001400041245006500055210006300120260007400183300001200257490000800269520164200277653001301919653001401932653001501946653001301961100002401974700002501998700002002023700001802043700002402061700002602085856009502111 2015 eng d a0003-607200aBacillus filamentosus sp nov., isolated from sediment sample0 aBacillus filamentosus sp nov isolated from sediment sample aVAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDSbSPRINGERcFEB a433-4410 v1073 a

A novel Gram-stain positive, endospore-forming bacterium, designated SGD-14(T), was isolated from a marine sediment sample in Goa Province, India. Cells of the isolate were found to be strictly aerobic. Phylogenetic analysis based on 16S rRNA gene sequences indicated that strain SGD-14(T) showed a similarity of 99.5 % with Bacillus endophyticus and similarities to other Bacillus type strains were below 96 %. The whole-cell sugar pattern was found to consist of ribose, xylose and glucose. The predominant menaquinone was identified as MK-7 and the major fatty acids as anteiso-C-15:0, iso-C-15:0, iso-C-16:0, anteiso-C-17:0, C-16:0 and iso-C-14:0. The strain was found to grow optimally at 30 A degrees C and pH 7.0-7.5. DNA G + C content was determined to be 39.6 mol%. The phospholipid pattern was found to consist of diphosphatidylglycerol, phosphatidylglycerol and phosphatidylethanolamine. DNA-DNA hybridization studies between strain SGD-14(T) and B. endophyticus CIP106778(T) showed that strain SGD-14(T) exhibited < 70 % similarity with B. endophyticus CIP106778(T). Differences in phenotypic and chemotaxonomic characteristics between the novel strain and B. endophyticus CIP106778(T) further confirmed that this isolate represents novel species. Phylogenetic analysis showed that strain SGD-14(T) fits in the same clade with B. endophyticus with 100 % bootstrap values. Strain SGD-14(T) is therefore considered to represent a novel species of the genus Bacillus, for which the name Bacillus filamentosus sp. nov. is proposed. The type strain of Bacillus filamentosus is SGD-14(T) = (=NCIM 5491(T) = DSM 27955(T)).

10aBacillus10aFilaments10aPolyphasic10aSediment1 aSonalkar, Vidya, V.1 aMawlankar, Rahul, R.1 aRamana, Venkata1 aJoseph, Neeta1 aShouche, Yogesh, S.1 aDastager, Syed, Gulam uhttps://library.ncl.res.in/content/bacillus-filamentosus-sp-nov-isolated-sediment-sample-001833nas a2200157 4500008004100000022001400041245015200055210006900207260011000276300001200386490000700398520110000405100001901505700002501524856012601549 2015 eng d a1744-683X00aBeta self-association and adsorption on a hydrophobic nanosurface: competitive effects and the detection of small oligomers via electrical response0 aBeta selfassociation and adsorption on a hydrophobic nanosurface aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcOCT a269-2790 v113 a

Treatment of Alzheimer's disease (AD) is impeded by the lack of effective early diagnostic methods. Small, soluble A beta globulomers play a major role in AD neurotoxicity, and detecting their presence in aqueous fluids could lead to suitable sensors. We evaluate the adsorption behavior of small A beta oligomers on the surface of a single walled carbon nanotube of high curvature. While the intrinsic self-assembly propensity of A beta is markedly hindered by adsorption, the oligomeric units show high degrees of surface immobilization. Immobilized complexes are capable of oligomeric growth, but with a shifted monomer-oligomer equilibrium compared to the free states. In the presence of an ionic solution and suitable external electric fields, magnitudes of the current blockades are found to be sensitive to the oligomeric number of the adsorbed complex. However, this sensitivity gradually diminishes with increasing oligomeric size. The results provide a proof-of-concept basis for further investigations in the design of sensors for detecting the toxic small oligomers of A beta.

1 aJana, Asis, K.1 aSengupta, Neelanjana uhttps://library.ncl.res.in/content/beta-self-association-and-adsorption-hydrophobic-nanosurface-competitive-effects-and-002471nas a2200205 4500008004100000022001400041245008700055210006900142260007100211300001400282490000700296520170000303100001902003700001902022700003102041700002202072700002202094700002902116856012002145 2015 eng d a0897-475600aBioinspired catecholic flame retardant nanocoating for flexible polyurethane foams0 aBioinspired catecholic flame retardant nanocoating for flexible  a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcOCT a6784-67900 v273 a

An efficient, environmentally friendly, and water-applied flame retardant surface nanocoating based on polydopamine (PDA) was developed for foamed materials such as polyurethane (PU). The PDA nanocoating, deposited by simple dip-coating in an aqueous dopamine solution, consists of a planar sublayer and a secondary granular layer structure that evolve together, eventually turning into a dense, uniform, and conformal layer on all foam surfaces. In contrast to flexible PU foams that are known to be highly flammable without flame retardant additives, micro combustion calorimetry (MCC) and thermogravimetric analysis (TGA) confirm that the neat PDA is relatively inflammable with a strong tendency to form carbonaceous, porous char that is highly advantageous for flame retardancy. By depositing nano coatings of PDA onto flexible PU foams, the flammability of the PU foam was significantly reduced with increasing coating thickness. For the thickest coating (3 days of PDA deposition), the foam quickly self-extinguished and its original shape was completely preserved after exposure to a flame in a torch burn test. In addition to the char forming ability of PDA, it is hypothesized that its catechol units likely scavenge nearby radicals that typically evolve additional fuel for the fire as they attack surrounding materials. This multiple flame retardancy action of PDA (i.e., char formation + radical scavenging) enables flame retardant foams with a peak heat release rate (P-HRR) that is significantly reduced (up to 67%) relative to control foams, representing much better performance than many conventional additives reported in the literature at comparable or higher loadings.

1 aCho, Joon, Hee1 aVasagar, Vivek1 aShanmuganathan, Kadhiravan1 aJones, Amanda, R.1 aNazarenko, Sergei1 aEllison, Christopher, J. uhttps://library.ncl.res.in/content/bioinspired-catecholic-flame-retardant-nanocoating-flexible-polyurethane-foams-001691nas a2200169 4500008004100000022001400041245012100055210006900176260011000245300001600355490000600371520094400377100002201321700002101343700002501364856013201389 2015 eng d a2046-206900aBiomass derived beta-cyclodextrin-SO3H as a solid acid catalyst for esterification of carboxylic acids with alcohols0 aBiomass derived betacyclodextrinSO3H as a solid acid catalyst fo aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcJAN a12981-129860 v53 a

A novel beta-cyclodextrin-SO3H carbon based solid acid catalyst was prepared in a convenient and ecofriendly manner and was characterized using FTIR, PXRD, EDAX and NH3TPD to illustrate that the carbon material has been functionalized with -SO3H, -COOH and -OH groups. The catalyst was studied for esterification of various carboxylic acids and alcohols under solvent free conditions and showed excellent catalytic performance and gave good yields of esters in the range 78-99% at 70 degrees C. No solvent was used either for catalyst preparation nor for esterification reaction. The catalyst can be easily recovered by simple filtration and reused for subsequent three runs without any significant impact on yields of products. The main advantage of this methodology is easy and ecofriendly catalyst preparation, easy catalyst separation, practical simplicity, safe reaction conditions, recyclable catalyst and high product yields.

1 aThombal, Raju, S.1 aJadhav, Amol, R.1 aJadhav, Vrushali, H. uhttps://library.ncl.res.in/content/biomass-derived-beta-cyclodextrin-so3h-solid-acid-catalyst-esterification-carboxylic-acids-002698nas a2200229 4500008004100000022001400041245013900055210006900194260007100263300001200334490000700346520180400353100002302157700002602180700002802206700002102234700002302255700002202278700002602300700002402326856011802350 2015 eng d a1525-779700aBiophysical characterization and molecular docking studies of imidazolium based polyelectrolytes-DNA complexes: role of hydrophobicity0 aBiophysical characterization and molecular docking studies of im a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcMAR a894-9030 v163 a

Nonviral gene delivery vectors are acquiring greater attention in the field of gene therapy by replacing the biological viral vectors. DNA-cationic polymer complexes are one of the most promising systems to find application in gene therapy. Hence, a complete insight of their biophysical characterization and binding energy profile is important in understanding the mechanism involved in nonviral gene therapy. In this investigation, the interaction between calf thymus DNA (ctDNA) and imidazolium-based poly(ionic liquids) (PILs) also known as polyelectrolytes with three different alkyl side chains (ethyl, butyl, and hexyl) in physiological conditions using various spectroscopic experiments with constant DNA concentration and varying polyelectrolyte concentrations is reported. UV-visible absorption, fluorescence quenching studies, gel electrophoresis, circular dichroism (CD), and Fourier transform infrared spectroscopy (FTIR) have confirmed the binding of polyelectrolytes with DNA. UV-vis absorption measurements and fluorescence quenching revealed that the binding between DNA and the polyelectrolyte is dominated by electrostatic interactions. Additionally, CD and FTIR results indicated that the DNA retained its B-form with minor perturbation in the phosphate backbone without significant change in the conformation of its base pairs. Preference for alkyl side chains (KPIL-Ethyl Br < KPIL-Butyl Br < KPIL-Hexyl Br) toward efficient binding between the polyelectrolyte and DNA was inferred from the binding and quenching constants calculated from the absorption and emission spectra, respectively. Further, in silico molecular docking studies not only validated the observed binding trend but also provided insight into the binding mode of the polyelectrolyte-DNA complex.

1 aManojkumar, Kasina1 aCharan, K., T. Prabhu1 aSivaramakrishna, Akella1 aJha, Prakash, C.1 aKhedkar, Vijay, M.1 aSiva, Ramamoorthy1 aJayaraman, Gurunathan1 aVijayakrishna, Kari uhttps://library.ncl.res.in/content/biophysical-characterization-and-molecular-docking-studies-imidazolium-based-002373nas a2200265 4500008004100000022001400041245011300055210006900168260007300237300001000310490000800320520140200328653001601730653002401746653002101770653002501791653002301816100002101839700002401860700002501884700002501909700002401934700002001958856012901978 2015 eng d a0927-776500aBio-physical evaluation and in vivo delivery of plant proteinase inhibitor immobilized on silica nanospheres0 aBiophysical evaluation and in vivo delivery of plant proteinase  aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcJUN a84-920 v1303 a

Recombinant expression of Capsicum annuum proteinase inhibitors (CanPI-13) and its application via synthetic carrier for the crop protection is the prime objective of our study. Herein, we explored proteinase inhibitor peptide immobilization on silica based nanospheres and rods followed by its pH mediated release in vitro and in vivo. Initial studies suggested silica nanospheres to be a suitable candidate for peptide immobilization. Furthermore, the interactions were characterized biophysically to ascertain their conformational stability and biological activity. Interestingly, bioactive peptide loading at acidic pH on nanospheres was found to be 62% and showed 56% of peptide release at pH 10, simulating gut milieu of the target pest Helicoverpa armigera. Additionally, in vivo study demonstrated significant reduction in insect body mass (158 mg) as compared to the control insects (265 mg) on 8th day after feeding with CanPI-13 based silica nanospheres. The study confirms that peptide immobilized silica nanosphere is capable of affecting overall growth and development of the feeding insects, which is known to hamper fecundity and fertility of the insects. Our study illustrates the utility and development of peptide-nanocarrier based platform in delivering diverse biologically active complexes specific to gut pH of H. armigera. (C) 2015 Elsevier B.V. All rights reserved.

10aBiodelivery10aHelicovera armigera10aProtein `corona'10aProteinase inhibitor10aSilica nanospheres1 aKhandelwal, Neha1 aDoke, Dhananjay, S.1 aKhandare, Jayant, J.1 aJawale, Priyanka, V.1 aBiradar, Ankush, V.1 aGiri, Ashok, P. uhttps://library.ncl.res.in/content/bio-physical-evaluation-and-vivo-delivery-plant-proteinase-inhibitor-immobilized-silica-002128nas a2200277 4500008004100000022001400041245007700055210006900132260008800201300001200289490000700301520119600308653001701504653001401521653002301535653002501558653002801583100001701611700002001628700002401648700001801672700001701690700001601707700001901723856010801742 2015 eng d a0217-984900aBiosynthesis of silver nanoparticles by using ganoderma-mushroom extract0 aBiosynthesis of silver nanoparticles by using ganodermamushroom  a5 TOH TUCK LINK, SINGAPORE 596224, SINGAPOREbWORLD SCIENTIFIC PUBL CO PTE LTDcMAR a15400470 v293 a

Present study reports the biochemical synthesis of silver nanoparticles (Ag-NPs) from aqueous medium by using the extract of medicinal mushroom Ganoderma, as a reducing and stabilizing agents. The Ag-NPs are prepared at room temperature by the reduction of Ag+ to Ag in aqueous solution of AgNO3. The resultant particles are characterized by using UV-visible spectroscopy, Fourier transform infrared (FTIR) spectroscopy and transmission electron microscopy (TEM) measurement techniques. The formation of Ag-NPs is confirmed by recording the UV-visible absorption spectra for surface plasmon resonance (SPR) where peak around 427 nm. The prominent changes observed in FTIR spectra supported the reduction of Ag+ to Ag. The morphological features of Ag-NPs are evaluated from HRTEM. The spherical Ag-NPs are observed in transmission electron microscopy (TEM) studies. The particle size distribution is found to be nearly uniform with average particle size of 2 nm. The Ag-NPs aged for 15, 30, 60 and 120 days showed no profound effect on the position of SPR peak in UV-visible studies, indicating the protecting/capping ability of medicinal mushroom Ganoderma in the synthesis of AgNPs.

10aBiosynthesis10aGanoderma10amedicinal mushroom10asilver nanoparticles10aUV-visible spectroscopy1 aEkar, S., U.1 aKhollam, Y., B.1 aKoinkar, Pankaj, M.1 aMirji, S., A.1 aMane, R., S.1 aNaushad, M.1 aJadhav, S., S. uhttps://library.ncl.res.in/content/biosynthesis-silver-nanoparticles-using-ganoderma-mushroom-extract-101263nas a2200217 4500008004100000022001400041245013600055210006900191260007500260300001400335520042400349653001100773653001600784653002300800653001400823653001500837100001800852700002700870700002100897856012700918 2015 eng d a1434-193X00aBreaking and making of rings: a method for the preparation of 4-quinolone-3-carboxylic acid amides and the expensive drug ivacaftor0 aBreaking and making of rings a method for the preparation of 4qu aPOSTFACH 101161, 69451 WEINHEIM, GERMANYbWILEY-V C H VERLAG GMBHcDEC a7433-74373 a

A simple and convenient method to access 4-quinolone-3-carboxylic acid amides from indole-3-acetic acid amides through one-pot oxidative cleavage of the indole ring followed by condensation (Witkop-Winterfeldt type oxidation) was explored. The scope of the method was confirmed with more than 20 examples and was successfully applied to the synthesis of the drug Ivacaftor, the most expensive drug on the market.

10aAmides10aDrug design10aFused-ring systems10aOxidation10aOzonolysis1 aVasudevan, N.1 aJachak, Gorakhnath, R.1 aReddy, Srinivasa uhttps://library.ncl.res.in/content/breaking-and-making-rings-method-preparation-4-quinolone-3-carboxylic-acid-amides-and-001805nas a2200253 4500008004100000022001400041245022800055210006900283260007300352300001000425490000700435520080500442653000901247653001101256653003101267653001601298653001101314100002001325700001801345700001801363700002101381700001901402856013001421 2015 eng d a1566-736700aCarbon-carbon bond forming reactions: application of covalently anchored 2,4,6-triallyloxy-1,3,5-triazine (TAT) Pd(II) complex over modified surface of SBA-15 to Heck, Suzuki, Sonogashira and Hiyama cross coupling reactions0 aCarboncarbon bond forming reactions application of covalently an aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcSEP a11-150 v693 a

A highly active SBA-15-TAT-Pd(II) catalyst was synthesized from organofunctionalized SBA-15 and 2,4,6-triallyloxy-1,3,5-triazine. The catalyst was employed in carrying out Heck, ``copper-free'' Sonogashira, Suzuki and Hiyama cross coupling reactions. Under the optimized conditions the catalyst displays excellent catalytic activity in delivering the desired products in good to excellent yields. The catalytic system exhibited superior activity regarding the time taken for the completion of reaction, isolation, Pd loading (0.62 mmol%) and yields of products as compared to the earlier reported heterogeneous SBA-15 anchored Pd catalysts. The catalyst could be recycled and reused for five times without any appreciable loss of catalytic activity. (C) 2015 Elsevier B.V. All rights reserved.

10aHeck10aHiyama10aSBA-15-TAT-Pd(II) catalyst10aSonogashira10aSuzuki1 aSingh, Chandani1 aJawade, Kiran1 aSharma, Priti1 aSingh, Anand, P.1 aKumar, Pradeep uhttps://library.ncl.res.in/content/carbon-carbon-bond-forming-reactions-application-covalently-anchored-246-triallyloxy-135-100641nas a2200145 4500008004100000245016100041210006900202260000800271300001400279490000600293100002500299700002300324700002000347856012800367 2015 eng d00aCarboxymethyl cellulose based multifunctional targeted drug delivery platform for pancreatic cancer: nanotheranostic potential and biocompatibility analysis0 aCarboxymethyl cellulose based multifunctional targeted drug deli cJUL a1347-13590 v31 aJoshi, Preeti, Nigam1 aWangnoo, Shishanka1 aLouis, Michelle uhttps://library.ncl.res.in/content/carboxymethyl-cellulose-based-multifunctional-targeted-drug-delivery-platform-pancreatic01985nas a2200265 4500008004100000022001400041245006200055210006100117260010600178300001000284490000700294520110800301653001401409653001401423653003201437653001601469653001601485653001701501653002001518100002201538700002201560700002201582700002001604856009501624 2015 eng d a0965-174800aCathepsins of lepidopteran insects: aspects and prospects0 aCathepsins of lepidopteran insects aspects and prospects aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcSEP a51-590 v643 a

Molecular understanding of lepidopteran physiology has revealed that proteases consist of one of the central regulatory/reacting system for insect growth and survival. Among the various proteases, cathepsins are the most crucial cellular proteases, which play vital roles during insect development. In the present review, we have discussed various aspects of the lepidopteran insect cathepsins, emphasizing their roles in processes like development, growth, metamorphosis, apoptosis and immunity. Cathepsins are categorized into different types on the basis of their sequence diversification, leading to variation in structure and catalytic function. Cathepsins exhibit tissue and stage specific expression pattern which is fine-tuned by a delicate balance of expression, compartmentalization, zymogen activation, inhibition by protein inhibitors and degradation. The indispensability of cathepsins as cellular proteases in the above mentioned processes proposes them as novel targets for designing effective and specific insect controlling strategies. (C) 2015 Elsevier Ltd. All rights reserved.

10aApoptosis10aCathepsin10aCysteine/aspartate protease10aDevelopment10aLepidoptera10aPest control10aStress response1 aSaikhedkar, Nidhi1 aSummanwar, Aarohi1 aJoshi, Rakesh, S.1 aGiri, Ashok, P. uhttps://library.ncl.res.in/content/cathepsins-lepidopteran-insects-aspects-and-prospects-001875nas a2200265 4500008004100000022001400041245008900055210006900144260007400213300001400287490000700301520096100308653002101269653001601290653002601306653002301332653001901355653002001374100001401394700002601408700002101434700001901455700001701474856011801491 2015 eng d a0141-549200aCell line development for biomanufacturing processes: recent advances and an outlook0 aCell line development for biomanufacturing processes recent adva aVAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDSbSPRINGERcAUG a1553-15640 v373 a

At the core of a biomanufacturing process for recombinant proteins is the production cell line. It influences the productivity and product quality. Its characteristics also dictate process development, as the process is optimized to complement the producing cell to achieve the target productivity and quality. Advances in the past decade, from vector design to cell line screening, have greatly expanded our capability to attain producing cell lines with certain desired traits. Increasing availability of genomic and transcriptomic resources for industrially important cell lines coupled with advances in genome editing technology have opened new avenues for cell line development. These developments are poised to help biosimilar manufacturing, which requires targeting pre-defined product quality attributes, e.g., glycoform, to match the innovator's range. This review summarizes recent advances and discusses future possibilities in this area.

10aBiomanufacturing10aBiosimilars10aCell line development10aCHO cells genomics10aGenome editing10aTranscriptomics1 aLe, Huong1 aVishwanathan, Nandita1 aJacob, Nitya, M.1 aGadgil, Mugdha1 aHu, Wei-Shou uhttps://library.ncl.res.in/content/cell-line-development-biomanufacturing-processes-recent-advances-and-outlook-002248nas a2200253 4500008004100000022001400041245009900055210006900154260010300223300002500326490000600351520128400357653002701641653002601668653001801694653002401712653002301736653002501759653002701784653001701811100002001828700002101848856012501869 2015 eng d a1664-302X00aCell scale host-pathogen modeling: another branch in the evolution of constraint-based methods0 aCell scale hostpathogen modeling another branch in the evolution aPO BOX 110, EPFL INNOVATION PARK, BUILDING I, LAUSANNE, 1015, SWITZERLANDbFRONTIERS MEDIA SAcOCT aArticle Number: 10320 v63 a

Constraint-based models have become popular methods for systems biology as they enable the integration of complex, disparate datasets in a biologically cohesive framework that also supports the description of biological processes in terms of basic physicochemical constraints and relationships. The scope, scale, and application of genome scale models have grown from single cell bacteria to multi cellular interaction modeling; host-pathogen modeling represents one of these examples at the current horizon of constraint-based methods. There are now a small number of examples of host-pathogen constraint-based models in the literature, however there has not yet been a definitive description of the methodology required for the functional integration of genome scale models in order to generate simulation capable host-pathogen models. Herein we outline a systematic procedure to produce functional host-pathogen models, highlighting steps which require debugging and iterative revisions in order to successfully build a functional model. The construction of such models will enable the exploration of host-pathogen interactions by leveraging the growing wealth of omic data in order to better understand mechanism of infection and identify novel therapeutic strategies.

10aconstraint-based model10aflux balance analysis10ahost-pathogen10amathematical models10aomics-technologies10aoptimization methods10asalmonella typhimurium10atuberculosis1 aJamshidi, Neema1 aRaghunathan, Anu uhttps://library.ncl.res.in/content/cell-scale-host-pathogen-modeling-another-branch-evolution-constraint-based-methods-100845nas a2200157 4500008004100000245007000041210006900111260000800180300001400188490000700202520031700209100002300526700001900549700002700568856009200595 2015 eng d00aChemical utilisation of CO2 a challenge for the sustainable world0 aChemical utilisation of CO2 a challenge for the sustainable worl cFEB a165–1760 v203 a

We derive more than 80% of our energy and chemicals from fossil fuels such as oil, coal and natural gas. Depleting resources and environmental pollution are forcing us to look for alternative resources. Carbon dioxide (CO2), which is produced in large quantities, could be recycled to chemical feedstocks.

1 aJagadeesan, Dinesh1 aJoshi, Bhaskar1 aParameswaran, Prashant uhttps://library.ncl.res.in/content/chemical-utilisation-co2-challenge-sustainable-world01257nas a2200229 4500008004100000022001400041245010800055210006900163260010600232300001400338490000700352520039900359653001400758653001500772653002100787100001800808700001900826700001400845700001800859700002700877856012300904 2015 eng d a0040-403900aChiral aziridine ring opening: facile synthesis of (R)-modletine and (R)-phenoxybenzamine hydrochloride0 aChiral aziridine ring opening facile synthesis of Rmodletine and aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcSEP a5269-52710 v563 a

A simple and efficient synthesis of chiral drugs (R)-mexiletine 1, an anti-arrhythmic drug and (R)-phenoxybenzamine hydrochloride 2, an anti-hypertensive drug has been described via controlled reductive ring opening of chiral aziridine as a key step. The target compounds 1 and 2 were obtained in overall yields of 34% and 10.5%, respectively. (C) 2015 Elsevier Ltd. All rights reserved.

10aAziridine10aMexiletine10aPhenoxybenzamine1 aViswanadh, N.1 aVelayudham, R.1 aJambu, S.1 aSasikumar, M.1 aMuthukrishnan, Murugan uhttps://library.ncl.res.in/content/chiral-aziridine-ring-opening-facile-synthesis-r-modletine-and-r-phenoxybenzamine-003245nas a2200649 4500008004100000022001400041245011300055210006900168260009900237300002700336490000600363520119100369100001801560700001901578700002101597700002601618700002001644700001801664700001701682700002801699700002301727700002401750700001901774700001701793700002201810700002001832700002101852700002601873700002001899700001601919700002101935700002501956700001901981700002802000700002002028700001802048700001702066700002602083700002302109700002702132700002402159700001802183700001802201700001602219700002402235700002202259700001802281700002502299700002002324700002002344700002602364700002102390700001802411700002202429700001602451856012802467 2015 eng d a2050-084X00aChromerid genomes reveal the evolutionary path from photosynthetic algae to obligate intracellular parasites0 aChromerid genomes reveal the evolutionary path from photosynthet aSHERATON HOUSE, CASTLE PARK, CAMBRIDGE, CB3 0AX, ENGLANDbELIFE SCIENCES PUBLICATIONS LTDcJUL aArticle Number: e069740 v43 a

The eukaryotic phylum Apicomplexa encompasses thousands of obligate intracellular parasites of humans and animals with immense socio-economic and health impacts. We sequenced nuclear genomes of Chromera velia and Vitrella brassicaformis, free-living non-parasitic photosynthetic algae closely related to apicomplexans. Proteins from key metabolic pathways and from the endomembrane trafficking systems associated with a free-living lifestyle have been progressively and non-randomly lost during adaptation to parasitism. The free-living ancestor contained a broad repertoire of genes many of which were repurposed for parasitic processes, such as extracellular proteins, components of a motility apparatus, and DNA-and RNA-binding protein families. Based on transcriptome analyses across 36 environmental conditions, Chromera orthologs of apicomplexan invasion-related motility genes were co-regulated with genes encoding the flagellar apparatus, supporting the functional contribution of flagella to the evolution of invasion machinery. This study provides insights into how obligate parasites with diverse life strategies arose from a once free-living phototrophic marine alga.

1 aWoo, Yong, H.1 aAnsari, Hifzur1 aOtto, Thomas, D.1 aKlinger, Christen, M.1 aKolisko, Martin1 aMichalek, Jan1 aSaxena, Alka1 aShanmugam, Dhanasekaran1 aTayyrov, Annageldi1 aVeluchamy, Alaguraj1 aAli, Shahjahan1 aBernal, Axel1 adel Campo, Javier1 aCihlar, Jaromir1 aFlegontov, Pavel1 aGornik, Sebastian, G.1 aHajduskova, Eva1 aHorak, Ales1 aJanouskovec, Jan1 aKatris, Nicholas, J.1 aMast, Fred, D.1 aMiranda-Saavedra, Diego1 aMourier, Tobias1 aNaeem, Raeece1 aNair, Mridul1 aPanigrahi, Aswini, K.1 aRawlings, Neil, D.1 aPadron-Regalado, Eriko1 aRamaprasad, Abhinay1 aSamad, Nadira1 aTomcala, Ales1 aWilkes, Jon1 aNeafsey, Daniel, E.1 aDoerig, Christian1 aBowler, Chris1 aKeeling, Patrick, J.1 aRoos, David, S.1 aDacks, Joel, B.1 aTempleton, Thomas, J.1 aWaller, Ross, F.1 aLukes, Julius1 aObornik, Miroslav1 aPain, Arnab uhttps://library.ncl.res.in/content/chromerid-genomes-reveal-evolutionary-path-photosynthetic-algae-obligate-intracellular-101521nas a2200145 4500008004100000245013400041210006900175260000800244300001600252490000600268520092100274100002801195700002501223856012701248 2015 eng d00aCitrate modified beta-cyclodextrin functionalised magnetite nanoparticles: a biocompatible platform for hydrophobic drug delivery0 aCitrate modified betacyclodextrin functionalised magnetite nanop cFEB a22117-221250 v53 a

Water-dispersible magnetite nanoparticles functionalized with citric acid (CIT) modified beta-cyclodextrin (CD) are prepared and curcumin (CUR) is loaded inside the cavity of CD. The CUR loading capacity of CD-CIT functionalized magnetite nanoparticles is found to be much larger than that of CD alone as well as the CD-CIT conjugate. The release profile of curcumin is found to follow zero order kinetics at the physiological pH, and thus, can release CUR at a constant rate, after the initial burst release. Relaxivity studies using NMR showed that the functionalized nanoparticles are suitable for contrast enhancement in MRI. Thus, the water-dispersible, CIT modified beta-CD functionalized magnetite nanofluid is an efficient carrier for water insoluble curcumin, and can be used for magnetic drug targeting/delivery as well as for contrast enhancement in MRI due to the superparamagnetic magnetite core.

1 aJayaprabha, Kunnoth, N.1 aJoy, Pattayil, Alias uhttps://library.ncl.res.in/content/citrate-modified-beta-cyclodextrin-functionalised-magnetite-nanoparticles-biocompatible02257nas a2200181 4500008004100000245009700041210006900138260000800207300001000215490000700225520151700232653010901749100002801858700002401886700001801910700002601928856012101954 2015 eng d00aClerodane type diterpene as a novel antifungal agent from polyalthia longifolia var. pendula0 aClerodane type diterpene as a novel antifungal agent from polyal cFEB a1–70 v943 a

Bioactivity-guided chemical examination of methanolic extract of leaves of Polyalthia longifolia var. pendula led to the isolation of the active constituent, a diterpene 1 which was identified as 16α-hydroxycleroda-3,13(14)Z-dien-15,16-olide on the basis of its spectral data. Among the tested strains, diterpene 1 was found to exhibit antifungal activities having MIC90 values of 50.3, 100.6 and 201.2 μM against Candida albicans NCIM3557, Cryptococcus neoformans NCIM3542 (human pathogens) and Neurospora crassa NCIM870 (saprophyte), respectively. Initial, structure–activity-relationship (SAR) data generated by synthesizing some derivatives revealed that the double bond between C3–C4 and the free hydroxyl group at C16 are crucial for the antifungal activity of the diterpene 1. The mode of action of 1 in C. albicans is due to compromised cell membrane permeability and also probably due to disruption of cell wall structures. The red blood cell haemolysis of all the compounds (1–4) did not show any significant haemolysis and was found to be less than 15% for all the compounds when tested at highest concentration, i.e. 1200 μM. Interestingly, all the tested compounds inhibited Y–H transition in dimorphic C. albicans NCIM3557 at much lower concentration than their MIC90 values. Determination of ROS generation by diterpene 1 using DCFH-DA and DHR123 (dihydrorhodamine) staining of C. albicans NCIM3557 indicated production of intracellular ROS as a mechanism of antifungal activity.

10aDiterpene; Polyalthia longifolia; Isolation; Flash chromatography; Natural products; Antifungal activity1 aBhattacharya, Asish, K.1 aChand, Hemender, R.1 aJohn, Jyothis1 aDeshpande, Mukund, V. uhttps://library.ncl.res.in/content/clerodane-type-diterpene-novel-antifungal-agent-polyalthia-longifolia-var-pendula02446nas a2200277 4500008004100000022001400041245012200055210006900177260009900246300001200345490000700357520142700364653001801791653002701809653002201836653001301858653002301871100002101894700002501915700001801940700002101958700001701979700001701996700002402013856013102037 2015 eng d a1359-511300aCloning, expression and in silico studies of a serine protease from a marine actinomycete (Nocardiopsis sp NCIM 5124)0 aCloning expression and in silico studies of a serine protease fr aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLANDbELSEVIER SCI LTDcMAR a378-3870 v503 a

A serine protease (N. protease), from Nocardiopsis sp., was cloned and expressed in Escherichia coli and investigated for its potential kinetic stability. Protein expression using two vectors, pET-22b (+) and pET-39b (+) was compared based on proper folding and soluble expression of the protein. pET-39b (+) was found to be a better vector for soluble expression of this protease containing disulfide bonds. In silico studies were also carried out for N. protease. Homology modeling suggested N. protease to be a member of PA clan of proteases. The phylogenetic analysis showed relatedness of N. protease to kinetically stable proteases. Molecular docking studies performed exhibited interaction of a peptide substrate with catalytic pocket of the enzyme. High temperature MD simulations were performed on N. protease to study its unfolding behavior and comparisons were made with alpha LP. A novel approach to study `cooperativity' of protein unfolding was undertaken, wherein `P' value analysis based on phi and psi values of the protein was performed. Data showed sharper P value transition for alpha LP when compared to N. protease thus indicating relatively less kinetic stability of N. protease. Present study holds significance as the non-streptomycete actinomycetes group is least explored and ensures industrially important enzymes with exceptional stabilities. (C) 2015 Elsevier Ltd. All rights reserved.

10aActinomycetes10aCloning and expression10aKinetic stability10aProtease10aThermal simulation1 aRohamare, Sonali1 aGaikwad, Sushama, M.1 aJones, Dafydd1 aBhavnani, Varsha1 aPal, Jayanta1 aSharma, Ranu1 aChatterjee, Prathit uhttps://library.ncl.res.in/content/cloning-expression-and-silico-studies-serine-protease-marine-actinomycete-nocardiopsis-sp-000694nas a2200169 4500008004100000022001400041245009600055210006900151260005700220300001200277490000600289100002400295700002400319700003000343700002500373856012600398 2015 eng d a1868-252900aCo3O4 nanorods-efficient non-noble metal electrocatalyst for oxygen evolution at neutral pH0 aCo3O4 nanorodsefficient nonnoble metal electrocatalyst for oxyge a233 SPRING ST, NEW YORK, NY 10013 USAbSPRINGERcJUL a331-3400 v61 aRamsundar, Rani, M.1 aDebgupta, Joyashish1 aPillai, Vijayamohanan, K.1 aJoy, Pattayil, Alias uhttps://library.ncl.res.in/content/co3o4-nanorods-efficient-non-noble-metal-electrocatalyst-oxygen-evolution-neutral-ph-002225nas a2200265 4500008004100000022001400041245013500055210006900190260008100259300001100340490000700351520123800358653002301596653001701619653002501636100002001661700001801681700002401699700002901723700002101752700002001773700002401793700001901817856012301836 2015 eng d a0953-898400aCombined experimental and theoretical study of the structural, electronic and vibrational properties of bulk and few-layer Td-WTe20 aCombined experimental and theoretical study of the structural el aTEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLANDbIOP PUBLISHING LTDcJUL a2854010 v273 a

The recent discovery of non-saturating giant positive magnetoresistance has aroused much interest in Td-WTe2. We have investigated structural, electronic and vibrational properties of bulk and few-layer Td-WTe2 experimentally and theoretically. Spin-orbit coupling is found to govern the semi-metallic character of Td-WTe2 and its structural link with the metallic 1 T form provides an understanding of its structural stability. There is a metal-to-insulator switch-over in the electrical conductivity and a change in the sign of the Seebeck coefficient around 373 K. Lattice vibrations of Td-WTe2 have been analyzed using first-principles calculations. Out of the 33 possible zone-center Raman active modes, five distinct Raman bands are observed around 112, 118, 134, 165 and 212 cm(-1) in bulk Td-WTe2. Based on symmetry analysis and calculated Raman tensors, we assign the intense bands at 165 cm(-1) and 212 cm(-1) to the A(1)' and A(1)'' modes, respectively. Most of the Raman bands stiffen with decreasing thickness, and the ratio of the integrated intensities of the A(1)'' to A(1)' bands decreases in the few-layer sample, while all the bands soften in both the bulk and few-layer samples with increasing temperature.

10aRaman spectroscopy10aTd-structure10atungsten ditelluride1 aJana, Manoj, K.1 aSingh, Anjali1 aLate, Dattatray, J.1 aRajamathi, Catherine, R.1 aBiswas, Kanishka1 aFelser, Claudia1 aWaghmare, Umesh, V.1 aRao, C., N. R. uhttps://library.ncl.res.in/content/combined-experimental-and-theoretical-study-structural-electronic-and-vibrational-101957nas a2200169 4500008004100000022001400041245011800055210006900173260007100242300001400313490000700327520126300334100001501597700002201612700002101634856013201655 2015 eng d a1083-616000aContinuous-flow nitration of o-xylene: effect of nitrating agent and feasibility of tubular reactors for scale-up0 aContinuousflow nitration of oxylene effect of nitrating agent an a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcSEP a1138-11470 v193 a

Continuous-flow nitration of o-xylene has been studied with different nitrating agents over a wide range of conditions for different parameters such as temperature, residence time, and concentrations. A nitrating mixture comprising sulfuric acid and fuming nitric acid was seen to yield higher selectivity for the isomer 1,2-dimethyl-3-nitrobenzene over the isomer 1,2-dimethyl-4-nitrobenzene and also a non-negligible quantity of dinitro derivatives of o-xylene. With only fuming nitric acid as the nitrating agent, the reaction was selective for 1,2-dimethyl-4-nitrobenzene over 1,2-dimethyl-3-nitrobenzene. Impurities mainly come from nitration of mononitro derivatives, and this occurs more from nitration of the 3-nitro isomer because of its higher reactivity with nitric acid. An economic analysis of the continuous-flow reactor for the production of 1,2-dimethyl-4-nitrobenzene at 100 and 500 kg/h in a jacketed tubular reactor showed that numbering-up is a more economical approach for higher production capacity. A combination of large- and small-sized tubes depending upon the relative rates of heat generation during a reaction will achieve more profit and a shorter payback period than having the entire reactor made of a single tube size.

1 aSharma, Y.1 aJoshi, Ramesh, A.1 aKulkarni, A., A. uhttps://library.ncl.res.in/content/continuous-flow-nitration-o-xylene-effect-nitrating-agent-and-feasibility-tubular-reactors-000629nas a2200145 4500008004100000245013700041210006900178260000800247300002100255490000600276100001500282700003200297700002500329856012900354 2015 eng d00aCorrelations between structure, microstructure, density and dielectric properties of the lead-free ferroelectrics Bi0.5(Na,K)0.5TiO30 aCorrelations between structure microstructure density and dielec cNOV a1550028 Page 1-60 v51 aAnjali, K.1 aAjithkumar, Thalasseril, G.1 aJoy, Pattayil, Alias uhttps://library.ncl.res.in/content/correlations-between-structure-microstructure-density-and-dielectric-properties-lead-free02487nas a2200181 4500008004100000022001400041245009500055210006900150260007100219300001600290490000800306520178100314100002402095700002102119700001802140700001902158856012802177 2015 eng d a1520-610600aCosolvent effects on solute-solvent hydrogen-bond dynamics: ultrafast 2D IR investigations0 aCosolvent effects on solutesolvent hydrogenbond dynamics ultrafa a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcDEC a15334-153430 v1193 a

Cosolvents strongly influence the solute-solvent interactions of biomolecules in aqueous environments and have profound effects on the stability and activity of several proteins and enzymes. Experimental studies have previously reported on the hydrogen-bond dynamics of water molecules in the presence of a cosolvent, but understanding the effects from a solute's perspective could provide greater insight into protein stability. Because carbonyl groups are abundant in biomolecules, the current study used 2D IR spectroscopy and molecular dynamics simulations to compare the hydrogen-bond dynamics of the solute's carbonyl group in aqueous solution, with and without the presence of DMSO as a cosolvent. 2D IR spectroscopy was used to quantitatively estimate the time scales of the hydrogen-bond dynamics of the carbonyl group in neat water and 1:1 DMSO/water solution. The 2D IR results show spectral signatures of a chemical exchange process: The presence of the cosolvent was found to lower the hydrogen-bond exchange rate by a factor of 5. The measured exchange rates were 7.50 X 10(11) and 1.48 X 10(11) s(-1) in neat water and 1:1 DMSO/water, respectively. Molecular dynamics simulations predict a significantly shorter carbonyl hydrogen-bond lifetime in neat water than in 1:1 DMSO/water and provide molecular insights into the exchange mechanism. The binding of the cosolvent to the solute was found to be accompanied by the release of hydrogen-bonded water molecules to the bulk. The widely different hydrogen-bond lifetimes and exchange rates with and without DMSO indicate a significant change in the ultrafast hydrogen-bond dynamics in the presence of a cosolvent, which, in turn, might play an important role in the stability and activity of biomolecules.

1 aKashid, Somnath, M.1 aJin, Geun, Young1 aBagchi, Sayan1 aKim, Yung, Sam uhttps://library.ncl.res.in/content/cosolvent-effects-solute-solvent-hydrogen-bond-dynamics-ultrafast-2d-ir-investigations-001427nas a2200157 4500008004100000022001400041245015000055210006900205260011000274300001600384490000700400520068000407100002601087700002501113856013101138 2015 eng d a1463-907600aCross over from 3D variable range hopping to the 2D weak localization conduction mechanism in disordered carbon with the extent of graphitization0 aCross over from 3D variable range hopping to the 2D weak localiz aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcMAY a16178-161850 v173 a

The changes in the electrical transport properties and mechanism of conduction in disordered carbon, with the extent of graphitization, are studied and discussed. With heat treatment induced graphitic ordering, the electrical properties are considerably modified, inducing a crossover from strong localization to weak localization behavior. Accordingly, the conduction mechanism is modified from the 3-dimensional variable range hopping (3D VRH) model to the 2-dimensional weak localization (2D WL) model. Results show that carrier-carrier and carrier-phonon interactions play major roles in developing the weak localization behavior with the extent of graphitization.

1 aRaj, Kovummal, Govind1 aJoy, Pattayil, Alias uhttps://library.ncl.res.in/content/cross-over-3d-variable-range-hopping-2d-weak-localization-conduction-mechanism-disordered-002518nas a2200277 4500008004100000022001400041245013400055210006900189260007500258300001400333490000700347520153500354653002101889653001501910653001201925653001901937653002601956100001601982700002101998700002102019700001802040700002002058700001702078700001702095856012802112 2015 eng d a0947-653900aCytostatic ruthenium(II)-platinum(II) bis(terpyridyl) anticancer complex that blocks entry into sphase by up-regulating p27(KIP1)0 aCytostatic rutheniumIIplatinumII bisterpyridyl anticancer comple aPOSTFACH 101161, 69451 WEINHEIM, GERMANYbWILEY-V C H VERLAG GMBHcJUN a9185-91970 v213 a

Cytostatic agents that interfere with specific cellular components to prevent cancer cell growth offer an attractive alternative, or complement, to traditional cytotoxic chemotherapy. Here, we describe the synthesis and characterization of a new binuclear Ru-II-Pt-II complex [Ru(tpy)(tpypma)Pt(Cl)(DMSO)](3+) (tpy=2,2:6,2-terpyridine and tpypma=4-([2,2:6,2-terpyridine]-4-yl)-N-(pyridin-2-ylmethyl)aniline), VR54, which employs the extended terpyridine tpypma ligand to link the two metal centres. In cell-free conditions, VR54 binds DNA by non-intercalative reversible mechanisms (K-b=1.3x10(5)M(-1)) and does not irreversibly bind guanosine. Cellular studies reveal that VR54 suppresses proliferation of A2780 ovarian cancer cells with no cross-resistance in the A2780CIS cisplatin-resistant cell line. Through the preparation of mononuclear Ru-II and Pt-II structural derivatives it was determined that both metal centres are required for this anti-proliferative activity. In stark contrast to cisplatin, VR54 neither activates the DNA-damage response network nor induces significant levels of cell death. Instead, VR54 is cytostatic and inhibits cell proliferation by up-regulating the cyclin-dependent kinase inhibitor p27(KIP1) and inhibiting retinoblastoma protein phosphorylation, which blocks entry into Sphase and results in G1 cell cycle arrest. Thus, VR54 inhibits cancer cell growth by a gain of function at the G1 restriction point. This is the first metal-coordination compound to demonstrate such activity.

10aantitumor agents10acytostatic10ap27KIP110aplatinum drugs10aruthenium terpyridine1 aRamu, Vadde1 aGill, Martin, R.1 aJarman, Paul, J.1 aTurton, David1 aThomas, Jim, A.1 aDas, Amitava1 aSmythe, Carl uhttps://library.ncl.res.in/content/cytostatic-rutheniumii-platinumii-bisterpyridyl-anticancer-complex-blocks-entry-sphase-102389nas a2200265 4500008004100000022001400041245007400055210006900129260007400198300001200272490000800284520150300292653001301795653001601808653002101824653001501845100002401860700002501884700002401909700002001933700001801953700002401971700002601995856010202021 2015 eng d a0003-607200aDeinococcus enclensis sp nov., isolated from a marine sediment sample0 aDeinococcus enclensis sp nov isolated from a marine sediment sam aVAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDSbSPRINGERcJAN a141-1480 v1073 a

A novel pale-pink coloured strain, designated NIO-1023(T), was isolated from a marine sediment sample from Chorao Island, Goa, India. The taxonomic position of strain NIO-1023(T) was investigated by using a polyphasic approach. The cells were observed to be Gram-stain positive, coccal shaped and non-spore forming. Phylogenetic analyses using the 16S rRNA gene sequence of the isolate indicated that the organism belongs to the genus Deinococcus. The strain NIO-1023(T) showed highest 16S rRNA gene sequence similarities with Deinococcus ficus (97.8 %), whereas other Deinococcus species showed less than 95 % sequence similarity. The DNA-DNA relatedness with respect to D. ficus CC-FR2-10(T) was 23.9 %. Chemotaxonomic data revealed that strain NIO-1023(T) contains only menaquinone MK-8 as the respiratory quinone and a complex polar lipid profile consisting of different unidentified glycolipids and polar lipids, two unknown phospholipids and three unknown phosphoglycolipids. As in other deinococci, one of these phosphoglycolipids was predominant in the profile. The predominant fatty acids were identified as C-17:1 w8c, C-16:1 w6c/w7c, C-15:1 w6c and C-17:1 w9c. The genomic DNA G + C content of strain NIO-1023(T) was determined to be 67.2 mol%. The biochemical and chemotaxonomic properties demonstrate that strain NIO-1023(T) represents a novel species, for which the name Deinococcus enclensis sp. nov. is proposed. The type strain is NIO-1023(T) (=DSM 25127(T) = NCIM 5456(T)).

10a16S rRNA10aDeinococcus10aMarine sediments10aPolyphasic1 aThorat, Meghana, N.1 aMawlankar, Rahul, R.1 aSonalkar, Vidya, V.1 aRamana, Venkata1 aJoseph, Neeta1 aShouche, Yogesh, S.1 aDastager, Syed, Gulam uhttps://library.ncl.res.in/content/deinococcus-enclensis-sp-nov-isolated-marine-sediment-sample-001879nas a2200325 4500008004100000022001400041245012300055210006900178260007100247300001400318490000600332520075200338653002101090653002801111653001701139653002301156653003101179653001601210653001201226100002401238700001801262700002401280700001601304700002101320700002401341700002601365700001901391700002301410856012001433 2015 eng d a1948-587500aDesign and synthesis of a focused library of diamino triazines as potential mycobacterium tuberculosis DHFR inhibitors0 aDesign and synthesis of a focused library of diamino triazines a a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcNOV a1140-11440 v63 a

We report design of a series of 2,4-diamino triazines as Mycobacterium tuberculosis (Mtb) dihydrofolate reductase inhibitors. The synthesized compounds were evaluated against Mtb (H(37)Rv and Dormant stage H37Ra), their cytotoxicity was assessed (HepG2 and A549 cell lines), and selectivity toward Mtb was evaluated by testing against other bacterial strains. Some derivatives showed promising activity along with low cytotoxicity. The most potent compound in the whole cell assay (MIC 0.325 mu M against H(37)Rv) showed selectivity in the enzyme assay and exhibited synergy with second line anti-TB agent p-amino salicylic acid. This study therefore provides promising molecules for further development as antituberculosis DHFR inhibitors.

10aDiamino triazine10adihydrofolate reductase10aenzyme assay10amolecular modeling10aMycobacterium tuberculosis10aselectivity10asynergy1 aLele, Arundhati, C.1 aRaju, Archana1 aKhambete, Mihir, P.1 aRay, M., K.1 aRajan, M., G. R.1 aArkile, Manisha, A.1 aJadhav, Nandadeep, J.1 aSarkar, Dhiman1 aDegani, Mariam, S. uhttps://library.ncl.res.in/content/design-and-synthesis-focused-library-diamino-triazines-potential-mycobacterium-002633nas a2200265 4500008004100000022001400041245022300055210006900278260010300347300001400450490000700464520147500471100002301946700002901969700003901998700002902037700001702066700002502083700002702108700002002135700002302155700003202178700002502210856013202235 2015 eng d a1535-947600aDevelopment of diagnostic fragment ion library for glycated peptides of human serum albumin: targeted quantification in prediabetic, diabetic, and microalbuminuria plasma by parallel reaction monitoring, SWATH, and MSE0 aDevelopment of diagnostic fragment ion library for glycated pept a9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3996 USAbAMER SOC BIOCHEMISTRY MOLECULAR BIOLOGY INCcAUG a2150-21590 v143 a

Human serum albumin is one of the most abundant plasma proteins that readily undergoes glycation, thus glycated albumin has been suggested as an additional marker for monitoring glycemic status. Hitherto, only Amadori-modified peptides of albumin were quantified. In this study, we report the construction of fragment ion library for Amadori-modified lysine (AML), N(epsilon)-(carboxymethyl) lysine (CML)-, and N(epsilon)-(carboxyethyl) lysine (CEL)-modified peptides of the corresponding synthetically modified albumin using high resolution accurate mass spectrometry (HR/AM). The glycated peptides were manually inspected and validated for their modification. Further, the fragment ion library was used for quantification of glycated peptides of albumin in the context of diabetes. Targeted Sequential Window Acquisition of all THeoretical Mass Spectra (SWATH) analysis in pooled plasma samples of control, prediabetes, diabetes, and microalbuminuria, has led to identification and quantification of 13 glycated peptides comprised of four AML, seven CML, and two CEL modifications, representing nine lysine sites of albumin. Five lysine sites namely K549, K438, K490, K88, and K375, were observed to be highly sensitive for glycation modification as their respective m/z showed maximum fold change and had both AML and CML modifications. Thus, peptides involving these lysine sites could be potential novel markers to assess the degree of glycation in diabetes.

1 aKorwar, Arvind, M.1 aVannuruswamy, Garikapati1 aJagadeeshaprasad, Mashanipalya, G.1 aJayaramaiah, Ramesha, H.1 aBhat, Shweta1 aRegin, Bhaskaran, S.1 aRamaswamy, Sureshkumar1 aGiri, Ashok, P.1 aMohan, Viswanathan1 aBalasubramanyam, Muthuswamy1 aKulkarni, Mahesh, J. uhttps://library.ncl.res.in/content/development-diagnostic-fragment-ion-library-glycated-peptides-human-serum-albumin-targeted-001850nas a2200205 4500008004100000022001400041245009400055210006900149260007100218300001600289490000700305520106900312100003201381700002401413700002101437700001701458700002501475700002201500856012201522 2015 eng d a0888-588500aDevelopment of newer adsorbents: activated carbons derived from carbonized cassia fistula0 aDevelopment of newer adsorbents activated carbons derived from c a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcDEC a11844-118570 v543 a

Development of newer adsorbent materials, especially from biomass, is most crucial to sustain growth of otherwise well established adsorption processes that already have hundreds of commercial adsorbents in practice. In the present study, newer adsorbents and their potential-carbonaceous adsorbents derived from the whole fruit of Cassia fistula (Golden shower) have been reported for applications in environmental pollution control using natural, renewable biomass as precursor. The potential of different forms of the derived adsorbents produced by thermal and chemical activation was examined for two representative cases, desulfurization of transportation fuels and wastewater treatment. The adsorbents were characterized by FTIR, XRD, XPS, and SEM techniques that indicate specific characteristics useful as an adsorbent. A successful application in the real industrial wastewater treatment and comparison with well recognized commercial adsorbents clearly highlights the utility of the developed newer adsorbents in separation science and technology.

1 aSorokhaibam, Laxmi, Gayatri1 aBhandari, Vinay, M.1 aSalvi, Monal, S.1 aJain, Saijal1 aHadawale, Snehal, D.1 aRanade, Vivek, V. uhttps://library.ncl.res.in/content/development-newer-adsorbents-activated-carbons-derived-carbonized-cassia-fistula-002853nas a2200169 4500008004100000022001400041245007700055210006900132260009100201300002900292490000700321520217900328100002602507700001902533700002102552856011002573 2015 eng d a1932-620300aDissecting leishmania infantum energy metabolism - a systems perspective0 aDissecting leishmania infantum energy metabolism a systems persp a1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USAbPUBLIC LIBRARY SCIENCEcSEP aArticle Number: e01379760 v103 a

Leishmania infantum, causative agent of visceral leishmaniasis in humans, illustrates a complex lifecycle pertaining to two extreme environments, namely, the gut of the sandfly vector and human macrophages. Leishmania is capable of dynamically adapting and tactically switching between these critically hostile situations. The possible metabolic routes ventured by the parasite to achieve this exceptional adaptation to its varying environments are still poorly understood. In this study, we present an extensively reconstructed energy metabolism network of Leishmania infantum as an attempt to identify certain strategic metabolic routes preferred by the parasite to optimize its survival in such dynamic environments. The reconstructed network consists of 142 genes encoding for enzymes performing 237 reactions distributed across five distinct model compartments. We annotated the subcellular locations of different enzymes and their reactions on the basis of strong literature evidence and sequence-based detection of cellular localization signal within a protein sequence. To explore the diverse features of parasite metabolism the metabolic network was implemented and analyzed as a constraint-based model. Using a systems-based approach, we also put forth an extensive set of lethal reaction knockouts; some of which were validated using published data on Leishmania species. Performing a robustness analysis, the model was rigorously validated and tested for the secretion of overflow metabolites specific to Leishmania under varying extracellular oxygen uptake rate. Further, the fate of important non-essential amino acids in L. infantum metabolism was investigated. Stage-specific scenarios of L. infantum energy metabolism were incorporated in the model and key metabolic differences were outlined. Analysis of the model revealed the essentiality of glucose uptake, succinate fermentation, glutamate biosynthesis and an active TCA cycle as driving forces for parasite energy metabolism and its optimal growth. Finally, through our in silico knockout analysis, we could identify possible therapeutic targets that provide experimentally testable hypotheses.

1 aSubramanian, Abhishek1 aJhawar, Jitesh1 aSarkar, Ram, Rup uhttps://library.ncl.res.in/content/dissecting-leishmania-infantum-energy-metabolism-systems-perspective-103064nas a2200265 4500008004100000022001400041245009700055210006900152260005700221300001200278490000800290520213900298653002002437653001702457653001402474653002302488653002902511100001902540700002802559700002202587700002402609700002102633700002002654856012402674 2015 eng d a0032-093500aEcological turmoil in evolutionary dynamics of plant-insect interactions: defense to offence0 aEcological turmoil in evolutionary dynamics of plantinsect inter a233 SPRING ST, NEW YORK, NY 10013 USAbSPRINGERcOCT a761-7710 v2423 a

Available history manifests contemporary diversity that exists in plant-insect interactions. A radical thinking is necessary for developing strategies that can co-opt natural insect-plant mutualism, ecology and environmental safety for crop protection since current agricultural practices can reduce species richness and evenness. The global environmental changes, such as increased temperature, CO (2) and ozone levels, biological invasions, land-use change and habitat fragmentation together play a significant role in re-shaping the plant-insect multi-trophic interactions. Diverse natural products need to be studied and explored for their biological functions as insect pest control agents. In order to assure the success of an integrated pest management strategy, human activities need to be harmonized to minimize the global climate changes. Plant-insect interaction is one of the most primitive and co-evolved associations, often influenced by surrounding changes. In this review, we account the persistence and evolution of plant-insect interactions, with particular focus on the effect of climate change and human interference on these interactions. Plants and insects have been maintaining their existence through a mutual service-resource relationship while defending themselves. We provide a comprehensive catalog of various defense strategies employed by the plants and/or insects. Furthermore, several important factors such as accelerated diversification, imbalance in the mutualism, and chemical arms race between plants and insects as indirect consequences of human practices are highlighted. Inappropriate implementation of several modern agricultural practices has resulted in (i) endangered mutualisms, (ii) pest status and resistance in insects and (iii) ecological instability. Moreover, altered environmental conditions eventually triggered the resetting of plant-insect interactions. Hence, multitrophic approaches that can harmonize human activities and minimize their interference in native plant-insect interactions are needed to maintain natural balance between the existence of plants and insects.

10aClimatic change10aCo-evolution10aEcosystem10aHuman interference10aPlant-insect interaction1 aMishra, Manasi1 aLomate, Purushottam, R.1 aJoshi, Rakesh, S.1 aPunekar, Sachin, A.1 aGupta, Vidya, S.1 aGiri, Ashok, P. uhttps://library.ncl.res.in/content/ecological-turmoil-evolutionary-dynamics-plant-insect-interactions-defense-offence-001867nas a2200241 4500008004100000022001400041245011600055210006900171260007100240300001400311490000600325520096600331653001901297653001401316653002001330653003001350653002401380100002401404700002801428700002401456700001801480856012701498 2015 eng d a1944-824400aEffect of b site coordination environment in the ORR activity in disordered brownmillerites Ba2In2-xCexO5+delta0 aEffect of b site coordination environment in the ORR activity in a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcFEB a3041-30490 v73 a

Ba2In2O5 brownmillerites in which the In site is progressively doped with Ce exhibit excellent oxygen reduction activity under alkaline conditions. Ce doping leads to structural changes advantageous for the reaction. Twenty-five percent doping retains the ordered structure of brownmillerite with alternate layers of tetrahedra and octahedra, whereas further increase in Ce concentration creates disorder. Structures with disordered oxygen atoms/vacancies are found to be better oxygen reduction reaction catalysts probably aided by isotropic ionic conduction, and Ba2In0.5Ce1.5O5+delta is the most active. This enhanced activity is correlated to the more symmetric Ce site coordination environment in this compound. Stoichiometric perovskite BaCeO3 with the highest concentration of Ce shows very poor activity emphasizing the importance of oxygen vacancies, which facilitate O-2 adsorption, in tandem with catalytic sites in oxygen reduction reactions.

10abrownmillerite10afuel cell10aoxygen disorder10aoxygen reduction reaction10aRietveld refinement1 aJijil, Chamundi, P.1 aBhange, Siddheshwar, N.1 aKurungot, Sreekumar1 aDevi, Nandini uhttps://library.ncl.res.in/content/effect-b-site-coordination-environment-orr-activity-disordered-brownmillerites-ba2in2-002196nas a2200229 4500008004100000022001400041245010800055210006900163260011000232300001600342490000600358520128200364100002601646700002001672700002301692700003001715700002101745700002301766700002801789700002401817856012501841 2015 eng d a2046-206900aEvaluation of imidazolium-based ionic liquids towards vermicidal activity: in vitro & in silico studies0 aEvaluation of imidazoliumbased ionic liquids towards vermicidal  aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcAUG a75415-754240 v53 a

A series of six different ionic liquids (ILs) of the kind 1-alkyl-3-methylimidazolium bromide/hydroxide (IL-Br and IL-OH) tailored with different N-alkyl side chains (ethyl, butyl, octyl) were synthesized and evaluated for their vermicidal activity against the Indian earthworm, Pheretima posthuma. The percentage of paralysis and mortality of earthworms against ILs were recorded in a dose dependent (at different concentrations 2, 4, 8 and 16 mM) and time dependent manner. The ILs with hydroxide as the counter anion (IL-OH) showed higher vermicidal activity compared to their bromide counterparts (IL-Br). Moreover, the ILs with the longest alkyl chain (octyl) were observed to have significant vermicidal activity compared to the rest (ethyl and butyl) as well as the standard drug, Albendazole. Furthermore, theoretical modeling was carried out to visualize the preferential docking positions of these ILs into the active site of beta-tubulin. Fascinatingly, it was found that the ILs with longest alkyl side chain showed remarkable vermicidal activity compared to the rest, and the molecular docking studies not only validated the experimental results, but also showed per-residue interaction analysis between the ILs and the different components of beta-tubulin.

1 aCharan, K., T. Prabhu1 aRanjan, Prabodh1 aManojkumar, Kasina1 aPothanagandhi, Nellepalli1 aJha, Prakash, C.1 aKhedkar, Vijay, M.1 aSivaramakrishna, Akella1 aVijayakrishna, Kari uhttps://library.ncl.res.in/content/evaluation-imidazolium-based-ionic-liquids-towards-vermicidal-activity-vitro-silico-002219nas a2200217 4500008004100000022001400041245014700055210006900202260011500271300001200386490000700398520132900405653002501734653001901759100001701778700001601795700001801811700002401829700001801853856013001871 2015 eng d a0006-313400aExpression of stable reference genes and SPINDLY gene in response to gibberellic acid application at different stages of grapevine development0 aExpression of stable reference genes and SPINDLY gene in respons aROZVOJOVA 263, PRAHA 6, CZ-165 02, CZECH REPUBLICbACAD SCIENCES CZECH REPUBLIC, INST EXPERIMENTAL BOTANYcSEP a436-4440 v593 a

Gibberellic acid (GA(3)) is widely used at different stages of berry development, and to understand the molecular mechanism of its action requires identification of stable reference genes. We sprayed grapevine (Vitis vinifera L.) cv. Thompson Seedless with GA(3) at rachis stage for rachis elongation, at flower cluster stage for flower thinning, and at 3 - 4 mm berry stage for berry elongation. Tissue samples were collected at different time points after GA(3) application. The expression of 10 candidate reference genes was analyzed using 4 different algorithms to assess their suitability for real time-PCR data normalization. Based on the overall ranking, PP2A, Sutra, and SAND were identified as the most stably expressed genes across all samples. With regard to different stages, tubulin, EF1 alpha, and UBC were the most stable genes during rachis elongation; PP2A, SAND, and Sutra were the most suitable at the flower cluster and berry stages. The expression of GA signaling gene SPINDLY (VvSpy) was analyzed to validate the stable reference genes. After the GA(3) application, the expression of VvSpy was reduced at the rachis stage but did not change at the flower cluster and berry stages. The expression profile of VvSpy was comparable when two or three reference genes were used for data normalization.

10adevelopmental stages10aVitis vinifera1 aUpadhyay, A.1 aJogaiah, S.1 aMaske, S., R.1 aKadoo, Narendra, Y.1 aGupta, V., S. uhttps://library.ncl.res.in/content/expression-stable-reference-genes-and-spindly-gene-response-gibberellic-acid-application-002207nas a2200265 4500008004100000022001400041245006400055210006400119260006700183300001400250490000700264520134600271100002501617700001801642700002201660700001901682700001901701700001801720700002301738700002001761700001801781700002301799700002101822856009801843 2015 eng d a0032-388800aExtrusion film casting of long chain branched polypropylene0 aExtrusion film casting of long chain branched polypropylene a111 RIVER ST, HOBOKEN 07030-5774, NJ USAbWILEY-BLACKWELLcSEP a1977-19870 v553 a

Extrusion film casting (EFC) is an important melt processing operation which is extensively used to make polypropylene (PP) films. Linear PP shows significant amount of necking and draw resonance during EFC. One of the ways to reduce necking is to introduce long chain branches (LCB) on the polymer backbone. The long branches impart extensional strain hardening behavior thereby stabilizing the melt flow. In this work, we investigate the influence of long chain branching in polypropylene on the extent of necking in the EFC process. Laboratory scale EFC experiments were performed on homopolymer PP of linear and long chain branched architectures. Simulations of the EFC process were carried out using the one-dimensional flow model of Silagy et al., Polym. Eng. Sci.,36, 2614 (1996) into which we incorporate two different multi-mode molecular constitutive equations namely, the eXtended Pom-Pom' equation (XPP, for long chain branched PP) and the Rolie-Poly' equation (RP-S, for linear PP). Our experimental data confirm that presence of long chain branching in PP reduces the extent of necking and our numerical predictions show qualitative agreement with experimental data, thereby elucidating the role of chain architecture on the extent of necking. POLYM. ENG. SCI., 55:1977-1987, 2015. (c) 2014 Society of Plastics Engineers

1 aChikhalikar, Kalyani1 aBanik, Sourya1 aAzad, Lal, Busher1 aJadhav, Kishor1 aMahajan, Sunil1 aAhmad, Zubair1 aKulkarni, Surendra1 aGupta, Surendra1 aDoshi, Pankaj1 aPol, Harshawardhan1 aLele, Ashish, K. uhttps://library.ncl.res.in/content/extrusion-film-casting-long-chain-branched-polypropylene-001884nas a2200229 4500008004100000022001400041245009800055210006900153260011000222300001600332490000600348520097300354100002601327700002601353700002801379700002301407700001801430700002401448700002401472700002601496856013201522 2015 eng d a2046-206900aFacile synthesis of Ag nanowire-rGO composites and their promising field emission performance0 aFacile synthesis of Ag nanowirerGO composites and their promisin aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcAPR a41887-418930 v53 a

Crystalline, ultra long silver nanowires (Ag NWs), few-layered rGO (reduced graphene oxide) and their rGO-Ag NW nanocomposite have been synthesized using a polyol reflux technique under optimized experimental conditions. The field emission performance of the rGO-Ag NW nanocomposite, rGO and Ag NW emitters was investigated. The turn on field required to draw an emission current density of similar to 1 mA cm(-2) was found to be similar to 5.00, 3.92 and 2.40 V mu m(-1) for the Ag NW, rGO and rGO-Ag NW nanocomposite emitters, respectively. The combined contribution of the sharp edges of the thin graphene sheets and high aspect ratio of the Ag nanowires, and their synergetic effect in the rGO-Ag NW nanocomposite, are responsible for the enhanced field emission behavior. First-principles density functional calculations show that the enhanced field emission may also be due to the overlapping of the electronic structures of the Ag NWs and rGO nanosheets.

1 aSamantara, Aneeya, K.1 aMishra, Dillip, Kumar1 aSuryawanshi, Sachin, R.1 aMore, Mahendra, A.1 aThapa, Ranjit1 aLate, Dattatray, J.1 aJena, Bikash, Kumar1 aRout, Chandra, Sekhar uhttps://library.ncl.res.in/content/facile-synthesis-ag-nanowire-rgo-composites-and-their-promising-field-emission-performance-001579nas a2200253 4500008004100000022001400041245009900055210006900154260010600223300001400329490000700343520064600350653002000996653001901016653001301035653001301048100002201061700002301083700002201106700002201128700002201150700002401172856012901196 2015 eng d a0040-403900aFirst regioselective iodocyclization reaction of 3-aryl-5-(prop-2-ynylthio)-1H-1,2,4-triazoles0 aFirst regioselective iodocyclization reaction of 3aryl5prop2ynyl aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcSEP a5140-51440 v563 a

The regioselective iodocyclization reaction of 3-aryl-5-(prop-2-ynylthio)-1H-1,2,4-triazoles is described for the first time. The iodocyclization reaction of 3-aryl-5-(prop-2-ynylthio)-1H-1,2,4-triazoles using molecular iodine afforded diiodo-compound which on Cul-catalyzed intramolecular C-N coupling reaction gave six-membered 2-aryl-51141,2,4]triazolo[5,1-b][1,3]thiazines, whereas, the five membered 3-aryl-5,6-dihydrothiazolo[2,3-c][1,2,4]triazoles were obtained exclusively when the iodocyclization reaction of 3-aryl-5-(prop-2-ynylthio)-1H-1,2,4-triazoles was carried out using NIS. (C) 2015 Elsevier Ltd. All rights reserved.

10aIodocyclization10aRegloselective10aThiazine10aTriazole1 aRode, Navnath, D.1 aSonawane, Amol, D.1 aGarud, Dinesh, R.1 aJoshi, Rohini, R.1 aJoshi, Ramesh, A.1 aLikhite, Anjali, P. uhttps://library.ncl.res.in/content/first-regioselective-iodocyclization-reaction-3-aryl-5-prop-2-ynylthio-1h-124-triazoles-101365nas a2200265 4500008004100000022001400041245008700055210006900142260010600211300001400317490000700331520039500338653002500733653002500758653001500783653002100798653002000819100003100839700002700870700002200897700002200919700002200941700002100963856011500984 2015 eng d a0040-403900aFirst synthesis of nitrosporeusines, alkaloids with multiple biological activities0 aFirst synthesis of nitrosporeusines alkaloids with multiple biol aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcMAR a1252-12540 v563 a

Synthesis of nitrosporeusines A and B, thioester-bearing alkaloids from the Arctic Streptomyces nitrosporeus with exceptional biological activity is disclosed for the first time. In addition, we have prepared another biologically important natural product, maleimycin, in optically pure form using a gram-scale enzymatic resolution method. (C) 2015 Elsevier Ltd. All rights reserved.

10aEnzymatic resolution10aInfluenza H1N1 virus10aMaleimycin10aMichael reaction10aNitrosporeusine1 aPhilkhana, Satish, Chandra1 aJachak, Gorakhnath, R.1 aGunjal, Vidya, B.1 aDhage, Nagsen, M.1 aBansode, Ajay, H.1 aReddy, Srinivasa uhttps://library.ncl.res.in/content/first-synthesis-nitrosporeusines-alkaloids-multiple-biological-activities-002667nas a2200217 4500008004100000022001400041245014800055210006900203260011000272300001400382490000600396520175400402100002302156700002702179700003002206700002502236700001902261700002302280700001702303856012902320 2015 eng d a2050-750X00aFluorescent probes for the detection of cyanide ions in aqueous medium: cellular uptake and assay for beta-glucosidase and hydroxynitrile lyase0 aFluorescent probes for the detection of cyanide ions in aqueous  aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcOCT a9148-91560 v33 a

A chemodosimteric reagent (1) for the efficient detection of cyanide species (CN- and/or HCN) in aq. medium as well as under physiological conditions has been described. Selective reaction of the cyanide species with this reagent in the presence of all common interfering anions, amino acids and glutathione (GSH) led to the generation of the corresponding cyanohydrin derivative. The formation of the cyanohydrin derivative of the probe is associated with a visually detectable change in solution fluorescence in aq. buffer medium with 1.9 mu M NaCN, the threshold limit set by WHO for the safe drinking water and this makes this fluorogenic sensor an ideal candidate for in-field applications. An apparent switch on the luminescence response, ultralow detection limit, low response time, cell membrane permeability and insignificant toxicity are key features of a probe molecule, which gives it a distinct edge over previously reported chemodosimetric reagents for the detection of cyanide species (CN- or HCN) in an aqueous environment. This methodology could be used for developing a generalized and efficient fluorescence-based assay for crucial enzymes like beta-glucosidase and hydroxynitrile lyase. Furthermore, spectrally-resolved fluorescence microscopy measurements on single-cells revealed that this sensor molecule could also be used for imaging the cellular uptake of cyanide species from aq. solution contaminated with NaCN. Our results confirmed that statistical analysis of integrated intensity and transition energy obtained from the emission spectra collected over various microscopic sub-cellular regions can potentially be used to discriminate the effects of local cellular environments and that due to cyanide detection.

1 aAgarwalla, Hridesh1 aGangopadhyay, Monalisa1 aSharma, Dharmendar, Kumar1 aBasu, Santanu, Kumar1 aJadhav, Sameer1 aChowdhury, Arindam1 aDas, Amitava uhttps://library.ncl.res.in/content/fluorescent-probes-detection-cyanide-ions-aqueous-medium-cellular-uptake-and-assay-beta-002858nas a2200217 4500008004100000022001400041245009400055210006900149260007100218300001400289490000700303520205200310100001902362700002402381700002502405700002302430700001902453700002502472700002402497856011902521 2015 eng d a1528-748300aFurosemide cocrystals with pyridines: an interesting case of color cocrystal polymorphism0 aFurosemide cocrystals with pyridines an interesting case of colo a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcDEC a5858-58720 v153 a

Furosemide (FS), a loop diuretic drug commonly used for the treatment of hypertension and edema, exhibited color cocrystal polymorphism with coformer 4,4'-bipyridine (4BPY) in the stoichiometry 2:1, albeit both the API and the cocrystal former are colorless. Crystallization from ethanol, isopropanol, ethanol-water (v/v, 1/1) mixture, and acetonitrile yielded pale yellow (form II, thin needles) and orange (form 1II, blocks) cocrystals concomitantly. Needles appeared from solution within a day, while the blocks were obtained after 1-2 days from the same flask, indicating that yellow needles were formed faster and the orange blocks were perhaps formed under thermodynamic conditions. Form 1I cocrystals could also be produced from the variety of common solvents. Cocrystallization of FS with 2,2'-bipyridine (2BPY) and 4-aminopyridine (4AP) gave colorless cocrystals 2 and 3, respectively, and did not exhibit polymorphism. The single-crystal X-ray structures, powder X-ray diffraction, photophysical characterization, differential scanning calorimetry, hot stage microscopy studies, and density functional theory (DFT) calculations provide insight into the structure property relationship. The common structural features observed in all of the structures is the formation of sandwich motifs comprising FS and pyridines through pi-stacking interactions. These motifs are linked differently through hydrogen bonding interactions in all three directions. The significant color difference between the two cocrystals dimorphs could be attributed to the different pi-stacking patterns and hydrogen bonding interactions between molecules of FS and 4BPY in their cocrystal structures. Investigation on the origin of the color difference using DFT calculations revealed the decrease in HOMO-LUMO gap for form 1II cocrystals (orange) compared to form 1I crystals (light yellow). The crystal-to-crystal thermal transformation of form 1I crystals to form 1II crystals of 1 suggests the role of pi-stacking assemblies in driving the self-assembly.

1 aSangtani, Ekta1 aSahu, Sanjay, Kumar1 aThorat, Shridhar, H.1 aGawade, Rupesh, L.1 aJha, Kunal, K.1 aMunshi, Parthapratim1 aGonnade, Rajesh, G. uhttps://library.ncl.res.in/content/furosemide-cocrystals-pyridines-interesting-case-color-cocrystal-polymorphism-001907nas a2200253 4500008004100000022001400041245008900055210006900144260009200213300001200305490000600317520099800323653002201321653002101343653001701364653002301381653002101404100001801425700002501443700002401468700001801492700002501510856011801535 2015 eng d a2158-584900aGreen synthesis of silver nanoribbons from waste X-ray films using alkaline protease0 aGreen synthesis of silver nanoribbons from waste Xray films usin a26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USAbAMER SCIENTIFIC PUBLISHERScAPR a165-1700 v53 a

This work illustrates a facile approach to synthesize silver nanoribbons from waste X-ray films using alkaline protease from Beauveria sp. MTCC 5184 (BAP). The green synthesized nanoribbons have been characterized by UV-Vis spectroscopy, TEM, and FTIR. The UV-visible spectra gave maximum absorbance at 400 nm. TEM micrograph showed well-dispersed silver nanoribbons with an average length of 200-400 nm. FTIR result demonstrated the respective bands of the silver nanoribbons and proteins. XRD data revealed crystalline nature of silver nanoribbons dominated with (111) facets. In vitro antibacterial activity in terms of minimum inhibitory concentrations (MIC) and minimum bactericidal concentration (MBC) showed 8/16 mu g/mL (MIC/MBC) against Staphylococcus aureus ATCC 29213 and 4/8 mu g/mL (MIC/MBC) against Escherichia coli ATCC 25922. The green synthesized silver nanoribbons showed excellent biocompatibility up to 40 mu g/mL concentrations on mouse fibroblast cell line (L929).

10aAlkaline Protease10aCharacterization10aCytotoxicity10aSilver Nanoribbons10aWaste X-ray Film1 aShankar, Shiv1 aPrasad, R., G. S. V.1 aSelvakannan, P., R.1 aJaiswal, Lily1 aLaxman, Ryali, Seeta uhttps://library.ncl.res.in/content/green-synthesis-silver-nanoribbons-waste-x-ray-films-using-alkaline-protease-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-001370nas 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-csir02771nas 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-001811nas 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-002132nas a2200265 4500008004100000022001400041245014200055210006900197260009700266300001200363490000600375520116200381653000901543653001301552653001301565653002501578653001401603653001801617100001901635700001801654700002101672700002601693700001901719856012801738 2015 eng d a2210-803300aLannea coromandelica attenuates glucagon and oxyntomodulin mediated cAMP formation in HEK cells stably-expressing human glucagon receptor0 aLannea coromandelica attenuates glucagon and oxyntomodulin media aOFFICE JENA, P O BOX 100537, 07705 JENA, GERMANYbELSEVIER GMBH, URBAN & FISCHER VERLAGcSEP a153-1570 v53 a

Antagonism of glucagon is a potential therapeutic approach for Type 2 diabetes mellitus (T2DM). The bark extract of Lannea coromandelica has been reported to have hypoglycemic or anti-diabetic effects on animal models and human subjects. The aim of this study was to elucidate the molecular mechanisms of L. coromandelica extract as a glucagon receptor antagonist. The aqueous extract of L. coromandelica bark attenuated glucagon-mediated cAMP formation in a concentration dependent manner with an IC50 value of 4.24 +/- 1.31 mu g/ml. It shifted a concentration response curve of glucagon towards the right with a 4, 21 and 40-fold change in IC50 at 6.25, 12.5 and 25 mu g/ml of extract, respectively. Additionally, it attenuated an oxyntomodulin-mediated cAMP response. The extract was found specifically to inhibit glucagon mediated cAMP formation since it was ineffective in reducing cAMP levels nonspecifically-elevated by forskolin. The data support that the aqueous extract of L. coromandelica antagonizes the glucagon receptor and has the potential to reduce glucagon mediated liver glucose output. (C) 2015 Elsevier GmbH. All rights reserved.

10acAMP10aDiabetes10aGlucagon10aLannea coromandelica10aMechanism10aOxyntomodulin1 aWalunj, Sameer1 aGupta, Rajesh1 aJoshi, Swati, P.1 aSabharwal, Sushma, G.1 aJoshi, Kalpana uhttps://library.ncl.res.in/content/lannea-coromandelica-attenuates-glucagon-and-oxyntomodulin-mediated-camp-formation-hek-002190nas a2200193 4500008004100000245010600041210006900147260000800216300001200224490000600236520148400242100002901726700002401755700001901779700002801798700001901826700002101845856013001866 2015 eng d00aLeucas mollissima, a source of bioactive compounds with antimalarial and antimycobacterium activities0 aLeucas mollissima a source of bioactive compounds with antimalar cJAN ae35-e380 v23 a

A phytochemical investigation of the acetone extract from the aerial parts of Leucas mollissima afforded one new (−)epi-marmelo lactone, (2 S, 4R, 6 S)-2,6-dimethyl-6 hydroxy-7-ene-4-olide (1), along with five known compounds, schensianol A (2), vanillin (3), β-hydroxy propiovanillone (4), lanost-9(11),25-diene-3β,24β-diol (5), and lanost-9(11),23E(24)-diene-3β,25-diol (6). Similarly, an investigation of the methanol extract of the aerial parts of L. mollissima resulted in the isolation of three known compounds, (+)-syringaresinol (7), anisofolin A (8), and apigenin 7-O-β-D(− 6′′-p-E-coumaroyl)-glucoside (9). Structure elucidation of the isolated compounds was carried out using detailed analysis of 1D and 2D nuclear magnetic resonance. All compounds were evaluated for antimalarial activity against Plasmodium falciparum (3D7) and for antimycobacterium activity against Mycobacterium tuberculosis H37Ra and Mycobacterium bovis. Compound 8 was found to have promising antimalarial activity (IC50 4.39 ± 0.25 µM), promising antimycobacterium activity [IC50 4.50 ± 0.75 µM (3.31 µg/mL)] against M. tuberculosis H37Ra and at 100 µg/mL, showed 55.6 % inhibition of M. bovis. Compound 9 showed moderate inhibition of P. falciparum growth (35 % inhibition at 10 µM) with respect to the positive control atovaquone and 67.4 % inhibition against M. bovis at 100 µg/mL with respect to the positive control rifampicin.

1 aChinchansure, Ashish, A.1 aArkile, Manisha, A.1 aShukla, Anurag1 aShanmugam, Dhanasekaran1 aSarkar, Dhiman1 aJoshi, Swati, P. uhttps://library.ncl.res.in/content/leucas-mollissima-source-bioactive-compounds-antimalarial-and-antimycobacterium-activities02412nas a2200265 4500008004100000022001400041245008700055210006900142260006700211300001400278490000700292520149600299100002501795700002401820700002301844700002401867700001501891700001901906700001901925700001801944700002301962700002001985700002102005856012002026 2015 eng d a0032-388800aLong chain branched impact copolymer of polypropylene: microstructure and rheology0 aLong chain branched impact copolymer of polypropylene microstruc a111 RIVER ST, HOBOKEN 07030-5774, NJ USAbWILEY-BLACKWELLcJUL a1463-14740 v553 a

A biphasic impact copolymer of polypropylene (ICP) was modified with peroxide by reactive extrusion process resulting in reduced melt flow index, improved melt strength, and higher die swell. The polymers were for the first time subjected to systematic rheological and microstructural characterization in an effort to understand their structure-property relations. In shear rheological tests, the modified ICP displayed higher flow activation energy, reduced values of loss tangent and nearly equal frequency dependence of storage and loss modulli. The modified ICP also showed strain hardening behaviour in uniaxial extensional rheology and higher crystallization temperature in differential scanning calorimetry (DSC). All these are definitive indications of the presence of long chain branches (LCB). Fitting the rheological data of modified ICPs with the eXtended Pom Pom (XPP) model indicated the presence of LCB on the higher molecular weight fraction in the polymer, a result which was corroborated with multi-detector high temperature gel permeation chromatography (HT-GPC). More importantly, the matrix and rubber phases of the ICP were separately characterized for presence of long chain branching by rheology, DSC and HT-GPC. The results indicate that while LCB existed in the matrix phase, microgels were present in both phases indicating that the reaction with peroxide occurred in both phases. POLYM. ENG. SCI., 55:1463-1474, 2015. (c) 2014 Society of Plastics Engineers

1 aChikhalikar, Kalyani1 aDeshpande, Anushree1 aPol, Harshawardhan1 aDhoble, Deepa, Arun1 aJha, Saroj1 aJadhav, Kishor1 aMahajan, Sunil1 aAhmad, Zubair1 aKulkarni, Surendra1 aGupta, Surendra1 aLele, Ashish, K. uhttps://library.ncl.res.in/content/long-chain-branched-impact-copolymer-polypropylene-microstructure-and-rheology-001955nas a2200157 4500008004100000022001400041245011900055210006900174260000800243300001400251490000700265520135300272100002701625700001601652856012901668 2015 eng d a0022-246100aMagnetic and magnetostrictive properties of aluminium substituted cobalt ferrite synthesized by citrate-gel method0 aMagnetic and magnetostrictive properties of aluminium substitute cOCT a6510-65170 v503 a

Structural, magnetic and magnetostrictive properties of sintered aluminium-substituted cobalt ferrite, CoAlxFe2-xO4 (x = 0.0, 0.1, 0.20, 0.30), derived from nanosized powders synthesized by a citrate-gel method, have been investigated. The sample with x = 0.1 is found to exhibit higher maximum magnetostriction strain at relatively lower magnetic fields (230 ppm at 286 kA/m) than that obtained for the unsubstituted cobalt ferrite (217 ppm, at 446 kA/m). All the Al-substituted compositions show larger strain sensitivity (d lambda/dH) at low magnetic fields compared to that for the unsubstituted cobalt ferrite. The variation of the magnetostriction coefficient as well as the strain sensitivity with Al content is likely to be due to the changes in the cation distribution in the tetrahedral and octahedral sites of the spinel lattice along with the associated changes in the magnetocrystalline anisotropy. The magnetostriction coefficient of x = 0.1 could be further enhanced to 306 ppm (at 220 kA/m) after a magnetic field annealing at 300 degrees C. A very high strain sensitivity of 4.5 x 10(-9) m/A is obtained for the magnetically annealed sample, larger than that reported for any substituted cobalt ferrite samples. The combination of high magnetostriction coefficient and strain sensitivity is suitable for device applications.

1 aAnantharamaiah, P., N.1 aJoy, P., A. uhttps://library.ncl.res.in/content/magnetic-and-magnetostrictive-properties-aluminium-substituted-cobalt-ferrite-synthesized01786nas a2200193 4500008004100000022001400041245008700055210006900142260011000211300001400321490000600335520103100341100001401372700002001386700001801406700002901424700001901453856012001472 2015 eng d a2046-206900aMesoporous NiCu-CeO2 oxide catalysts for high-temperature water-gas shift reaction0 aMesoporous NiCuCeO2 oxide catalysts for hightemperature watergas aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcNOV a1430-14370 v53 a

Mesoporous NiCu-CeO2 oxide catalysts were synthesized by using the evaporation-induced self-assembly method applied to the high-temperature, water-gas shift reaction (HT-WGS) between 350 to 550 degrees C. Nickel and copper loadings on mesoporous ceria were tailored to achieve high activity and selectivity by suppressing methane formation in HT-WGS. Among the prepared catalysts, NiCu(1 : 4)-CeO2 exhibited the highest selectivity to CO2 and H-2 with 85% CO conversion at a very high GHSV of 83 665 h(-1). The higher activity of the catalysts was due to the mesoporous architecture, which provides more accessible active sites for the WGS reaction. Powder X-ray diffraction (XRD), small angle X-ray scattering (SAXS), N-2-adsorption/desorption isotherm, high-resolution transmission electron microscopy (HR-TEM), and H-2-temperature-programmed reduction (TPR) techniques were used to understand the role of mesoporosity and bimetallic composition of various NiCu-CeO2 oxides in enhancing catalytic activity for HT-WGS.

1 aJha, Ajay1 aJeong, Dae-Woon1 aJang, Won-Jun1 aRode, Chandrashekhar, V.1 aRoh, Hyun-Seog uhttps://library.ncl.res.in/content/mesoporous-nicu-ceo2-oxide-catalysts-high-temperature-water-gas-shift-reaction-001930nas a2200253 4500008004100000022001400041245011800055210006900173260009500242300001200337490000800349520100900357653000801366653002001374653001401394653002301408653001401431653000801445100002201453700002101475700002601496700002501522856012901547 2015 eng d a0021-979700aMethod to form semiconductor quantum dot (QD) thin films by igniting a flame at air-liquid interface: CdS and WO30 aMethod to form semiconductor quantum dot QD thin films by igniti a525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USAbACADEMIC PRESS INC ELSEVIER SCIENCEcFEB a121-1280 v4393 a

We reveal an easy, inexpensive, efficient one step flame synthesis of semiconductor/metal oxide thin films at air-liquid interface, subsequently, transferred on suitable substrate. The method has been illustrated by the formation of CdS and Wo(3) QDs thin films. The features of the present method are (1) Growth of thin films consisting of 0.5-2.0 nm sized Quantum Dots (QDs)/(ultra-small nanoparticles) in a short time, at the air-liquid interface which can be suitably transferred by a well-known Blodgett technique to an appropriate substrate, (2) The method is suitable to apply layer by layer (LbL) technique to increase the film thickness as well as forming various compositions as revealed by AFM measurements. The films are characterized for their structure (SAED), morphology (TEM), optical properties (UV-Vis.) and photoluminescence (PL). Possible mechanism of formation of QDs thin film and effect of capping in case of COS QDs is discussed. (C) 2014 Elsevier Inc. All rights reserved.

10aCdS10aFlame synthesis10ainterface10aQuantum Dots (QDs)10athin film10aWO31 aJadhav, Aarti, H.1 aPatil, Sagar, H.1 aSathaye, Shivaram, D.1 aPatil, Kashinath, R. uhttps://library.ncl.res.in/content/method-form-semiconductor-quantum-dot-qd-thin-films-igniting-flame-air-liquid-interface-002204nas a2200301 4500008004100000022001400041245011000055210006900165260007900234300001400313490000800327520115400335653001401489653000901503653002201512653002701534653000801561653002401569100002801593700002601621700002201647700001801669700001901687700001801706700002101724700002701745856013001772 2015 eng d a0273-228900aMicrobial selenium nanoparticles (SeNPs) and their application as a sensitive hydrogen peroxide biosensor0 aMicrobial selenium nanoparticles SeNPs and their application as  a999 RIVERVIEW DRIVE SUITE 208, TOTOWA, NJ 07512 USAbHUMANA PRESS INCcNOV a1386-13930 v1773 a

The cell-free extract, a crude enzyme (cytosolic and membrane fraction) obtained from an environmental isolate, Bacillus pumilus sp. BAB-3706 worked as excellent in reducing as well as stabilizing agent and facilitated the formation of stable colloidal selenium nanoparticles (SeNPs). Resulting nanoparticles were characterized using UV-vis spectrophotometer, TEM, EDAX, FT-IR and XRD, respectively. A working electrode was modified by coating the surface of indium tin oxide (ITO) with colloidal SeNPs. Successive additions of H2O2 (100 to 600 mu M) in conventional three electrodes system, cyclic voltammeter with potential scan rate 25.0 mV/s, in 0.1 M phosphate buffer solution (PBS) yielded increase in current. A perpetual amperometric response at fixed potential (-1.0 V) and at selected time interval of 100 s showed different magnitude of current at every addition of H2O2. The linear range of detection of H2O2 was from 5 to 600 mM (R (2) = 0.9965), while the calculated limit of detection was found to be 3.00 mu M. The current study suggested that microbial SeNPs can be used for fabrication of low cost, sensitive H2O2 biosensor.

10aBiosensor10aEDAX10aHydrogen peroxide10aSelenium nanoparticles10aTEM10aUV-vis spectroscopy1 aPrasad, Kumar, Suranjit1 aVaghasiya, Jayraj, V.1 aSoni, Saurabh, S.1 aPatel, Jitesh1 aPatel, Rinkesh1 aKumari, Madhu1 aJasmani, Falguni1 aSelvaraj, Kaliaperumal uhttps://library.ncl.res.in/content/microbial-selenium-nanoparticles-senps-and-their-application-sensitive-hydrogen-peroxide-001911nas a2200277 4500008004100000022001400041245014600055210006900201260007500270300001400345520089100359653001201250653001901262653002601281653002401307653001401331653001501345653002201360100002001382700001901402700002001421700002101441700001901462700002501481856012701506 2015 eng d a1434-193X00aModular synthesis of biaryl-substituted phosphine ligands: application in microwave-assisted palladium-catalyzed C-N cross-coupling reactions0 aModular synthesis of biarylsubstituted phosphine ligands applica aPOSTFACH 101161, 69451 WEINHEIM, GERMANYbWILEY-V C H VERLAG GMBHcOCT a6515-65253 a

Biaryl-substituted monophosphine-based ligands have been synthesized by transition-metal-free ARYNE cross-coupling reaction of aryllithiums with 1,2-dibromobenzene and subsequent regioselective functionalization through bromine-lithium interconversion. These ligands were employed in palladium-catalyzed C-N bond-forming reactions. The reaction was found to be general with wide substrate applicability. A wide variety of both primary and secondary amines were successfully coupled with an array of differently substituted halobenzenes under microwave irradiation to give the expected products in good to excellent yields. A number of biaryl-substituted phosphine ligands screened for the coupling reaction showed that steric bulk and the electronic properties of substituents on phosphorus play a crucial role in governing the catalytic activity of C-N cross-coupling reactions.

10aBiaryls10aCross-coupling10aHomogeneous catalysis10aMicrowave chemistry10aPalladium10aPhosphines10asynthetic methods1 aSingh, Chandani1 aRathod, Jayant1 aJha, Vishwajeet1 aPanossian, Armen1 aKumar, Pradeep1 aLeroux, Frederic, R. uhttps://library.ncl.res.in/content/modular-synthesis-biaryl-substituted-phosphine-ligands-application-microwave-assisted-001950nas a2200193 4500008004100000245013500041210006900176260000800245300000900253490000700262520122700269100001801496700001601514700002901530700002201559700002201581700002101603856013201624 2015 eng d00aMolecular docking and QSAR analyses for understanding the antimalarial activity of some 7-substituted-4-aminoquinoline derivatives0 aMolecular docking and QSAR analyses for understanding the antima cSEP a9-230 v773 a

The quinoline moiety is one of the widely studied scaffolds for generating derivatives with various pharmacophoric groups due to its potential antimalarial activities. In the present study, a series of 7-substituted-4-aminoquinoline derivatives were selected to understand their antimalarial properties computationally by molecular modeling techniques including 2D QSAR, comparative molecular field analysis (CoMFA), comparative molecular similarity indices analysis (CoMSIA) and molecular docking. The 2D-QSAR model built with four descriptors selected by genetic algorithm technique and CoMFA model showed satisfactory statistical results (Q(2) = 0.540, R-ncv(2) = 0.881, F value = 157.09). A reliable CoMSIA model out of the fourteen different combinations has a Q(2) value of 0.638. The molecular docking studies of the compounds for 1CET as the protein target revealed that ten compounds showed maximum interactions with the binding site of the protein. The present study highlights the unique binding signatures of the ligands within the active site groove of the target and it explains the subtle differences in their EC50 values and their mechanism of inhibition. (C) 2015 Elsevier B.V. All rights reserved.

1 aShibi, I., G.1 aAswathy, L.1 aJisha, Radhakrishnan, S.1 aMasand, Vijay, H.1 aDivyachandran, A.1 aGajbhiye, J., M. uhttps://library.ncl.res.in/content/molecular-docking-and-qsar-analyses-understanding-antimalarial-activity-some-7-substituted-402032nas a2200241 4500008004100000022001400041245008300055210006900138260011000207300001400317490000700331520114000338100002201478700001801500700002601518700002201544700001801566700002101584700001601605700003001621700002001651856011901671 2015 eng d a1144-054600aMultifaceted core-shell nanoparticles: superparamagnetism and biocompatibility0 aMultifaceted coreshell nanoparticles superparamagnetism and bioc aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcAUG a8513-85210 v393 a

NicoreAgshell nanoparticles were synthesized by redox transmetallation reaction. Reduction potential match was encouraging to attempt the synthesis of the NicoreAushell system too. However, it could be achieved only after an effective surface modification on the Ni-core. Thorough characterization (UV-Vis spectroscopy, fluorescence spectroscopy, XRD, XPS, FTIR, TEM, and EDX) proved the necessity of surface modification and the success of synthesis of both types of core-shell structures. The chemical composition and topography were determined using STEM-HAADF analysis and EFTEM imaging. Fourier transform infrared (FTIR) spectroscopy confirmed the surface modification of Ni nanoparticles and the interactions involved between the ligands and metals (in the core and/or the shell) at various steps of the synthetic process. Even after the formation of the noble metal shell, the magnetic core was found to retain its superparamagnetic nature. In addition, the Au-shell protected the core from aerial oxidation and decreased toxicity as compared to pristine Ni nanoparticles as observed by MTT assay on normal cells (PBMCs).

1 aSardar, Debasmita1 aNeogi, S., K.1 aBandyopadhyay, Sanjoy1 aSatpati, Biswarup1 aAhir, Manisha1 aAdhikary, Arghya1 aJain, Ruchi1 aGopinath, Chinnakonda, S.1 aBala, Tanushree uhttps://library.ncl.res.in/content/multifaceted-core-shell-nanoparticles-superparamagnetism-and-biocompatibility-001747nas a2200169 4500008004100000022001400041245007300055210006700128260007100195300001600266490000800282520113200290100001601422700002001438700001801458856010101476 2015 eng d a1932-744700aMultifaceted thermodynamics of Pb-n (n=16-24) clusters: a case study0 aMultifaceted thermodynamics of Pbn n1624 clusters a case study a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcOCT a23698-237070 v1193 a

Thermodynamic response of small clusters is a challenging area of exploration, both experimentally and theoretically. In this article, we study the thermodynamic behavior of small Pb clusters (size 16-24) using Born-Oppenheimer molecular dynamics. A new ground state structure is reported for Pb-20. Except for Pb-21, all clusters fragment at temperatures above T-m[bulk] and show no signs of melting. Characteristic behavior like restricted diffusion and solid solid transition is discussed in detail. Variation in the isomerization temperature of these clusters is explained using the bond length analysis. Root mean square bond length fluctuations (delta(rms)) along with distribution of atoms about center of mass of the cluster as a function of time and distance-energy (DE) plots are used to bring out the essential features of Pb cluster thermodynamics. Analysis carried out using these parameters, and their interpretation regarding state of the system, are discussed in detail. We highlight that it is not possible to define ``liquid state'' for these small clusters, in the conventional frame of understanding.

1 aSusan, Anju1 aKaware, Vaibhav1 aJoshi, Kavita uhttps://library.ncl.res.in/content/multifaceted-thermodynamics-pb-n-n16-24-clusters-case-study-102175nas a2200301 4500008004100000022001400041245010200055210006900157260009200226300001400318490000700332520111600339653001501455653002301470653002201493653001901515653001701534653002201551100002301573700002901596700001901625700001801644700002101662700002401683700001901707700002101726856012601747 2015 eng d a1478-641900aNew butenolide cinnamate and other biological active chemical constituents from Polygonum glabrum0 aNew butenolide cinnamate and other biological active chemical co a4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLANDbTAYLOR & FRANCIS LTDcNOV a2080-20860 v293 a

Phytochemical investigation of the methanol extract of the aerial parts of Polygonum glabrum afforded one new natural product (-)-2-methoxy-2-butenolide-3-cinnamate (1) along with six known compounds, -hydroxyfriedalanol (2), 3-hydroxy-5-methoxystilbene (3), (-) pinocembrin (4), sitosterol-(6-O-palmitoyl)-3-O–d-glucopyranoside (5), (-) pinocembrin-5-methyl ether (6) and sitosterol-3-O–d-glucopyranoside (7). Compound 1 showed promising in vitro anti-HIV-1 activity against primary isolates HIV-1(UG070) (X4, subtype D) and HIV-1(VB59) (R5, subtype C) assayed using TZM-bl cell line with IC50 in the range of 15.68-22.43g/mL. The extract showed TI in the range of 19.19-27.37 with IC50 in the range of 10.90-15.55g/mL. Compounds 1, 3 and 4 exhibited in vitro anti-mycobacterium activity against Mycobacterium tuberculosis H37Ra with IC50 values of 1.43, 3.33 and 1.11g/mL in dormant phase and 2.27, 3.33 and 1.21g/mL in active phase, respectively. Compound 4 was found to be the most active antiproliferative with IC50 values of 1.88-11.00g/mL against THP-1, A549, Panc-1, HeLa and MCF7 cell lines.

10aanti-HIV-110aanti-mycobacterium10aantiproliferative10aphytochemicals10aPolygonaceae10aPolygonum glabrum1 aSaid, Madhukar, S.1 aChinchansure, Ashish, A.1 aNawale, Laxman1 aDurge, Ankita1 aWadhwani, Ashish1 aKulkarni, Smita, S.1 aSarkar, Dhiman1 aJoshi, Swati, P. uhttps://library.ncl.res.in/content/new-butenolide-cinnamate-and-other-biological-active-chemical-constituents-polygonum-002675nas a2200169 4500008004100000022001400041245007100055210006900126260011000195300001200305490000700317520201100324100003102335700001702366700001802383856010402401 2015 eng d a1359-734500aNonconventional chemical inhibitors of microRNA: therapeutic scope0 aNonconventional chemical inhibitors of microRNA therapeutic scop aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcOCT a820-8310 v513 a

MicroRNAs (miRNAs) are a class of genomically encoded small RNA molecules (similar to 22nts in length), which regulate gene expression post transcriptionally. The term microRNA or miRNA was coined in 2001, and research in the past decade has shed light on their widespread occurrence, evolutionary conservation and tissue specific functions. It is estimated that they modulate the gene expression of approximately 60% of the mammalian genes by regulating the levels of target mRNAs to which they can bind on the basis of sequence complementarities. miRNAs are produced in a well coordinated series of steps from being transcribed in the nucleus to exerting their function in the cytoplasm. miRNAs are now implicated in diverse biological phenomena ranging from development to stress response which makes miRNAs one of the central regulatory molecules which modulate information flow along the central dogma of gene expression. More importantly, like any regulatory molecule, deregulation of miRNAs is causally associated with several diseases (mainly cancer) and is directly involved in a variety of pathophysiologies owing to their aberrant expression. Thus, modulation of miRNA levels is of prime therapeutic importance. Conventional methods of miRNA knockdown using chemically modified antisense-oligonucleotides have been explored extensively but face the challenges of modes of delivery, biostability and biodistribution. This calls for the development of more alternative and non-conventional methods to target miRNA. Small molecules targeting RNA chemical and structural space provide one such timely opportunity. In this article we first provide a brief overview of miRNA biogenesis and its disease associations. We then summarize the major developments in conventional oligonucleotide based approaches to miRNA knockdown and its status. We then focus on the more non-conventional methods like oligonucleotide enzymes and small molecules and provide an outlook on the future of such methods.

1 aJayaraj, Gopal, Gunanathan1 aNahar, Smita1 aMaiti, Souvik uhttps://library.ncl.res.in/content/nonconventional-chemical-inhibitors-microrna-therapeutic-scope-002109nas a2200157 4500008004100000022001400041245014300055210006900198260011000267300001600377490000600393520136400399100002901763700002701792856013201819 2015 eng d a2040-336400aNon-templated ambient nanoperforation of graphene: a novel scalable process and its exploitation for energy and environmental applications0 aNontemplated ambient nanoperforation of graphene a novel scalabl aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcOCT a19705-197130 v73 a

Nano-perforation of 2D graphene sheets is a recent and strategically significant means to exploit such materials in modern applications such as energy production and storage. However, current options for the synthesis of holey graphene (hG) through nano-perforation of graphene involve industrially undesirable steps viz., usage of expensive/noble metal or silica nanoparticle templates and/or hazardous chemicals. This severely hampers its scope for large scale production and further exploitation. Herein, we report for the first time a scalable non-templated route to produce hG at ambient conditions. Nano-perforation is achieved with tunable pore size via the simple few layer co-assembly of silicate-surfactant admicelles along the surface of graphene oxide. A gentle alkali treatment and a reduction at optimized conditions readily yielded holey graphene with a remarkable capacitance (similar to 250 F g(-1)) and interesting adsorption abilities for pollutants. Density functional theory based computational studies reveal interesting insights on the template free nano-perforation at a molecular level. This simple rapid process not only excludes the need for expensive templates and harmful chemicals to yield hG at attractively ambient, chemically placid and industrially safer conditions, but also creates no hurdles in terms of scaling up.

1 aJhajharia, Suman, Kumari1 aSelvaraj, Kaliaperumal uhttps://library.ncl.res.in/content/non-templated-ambient-nanoperforation-graphene-novel-scalable-process-and-its-exploitation-001675nas a2200253 4500008004100000022001400041245011200055210006900167260010600236300001400342490000700356520073800363653001501101653001501116653001501131653002001146100002201166700002201188700002401210700002201234700001801256700002801274856011901302 2015 eng d a0960-894X00aNovel hybrid nocodazole analogues as tubulin polymerization inhibitors and their antiproliferative activity0 aNovel hybrid nocodazole analogues as tubulin polymerization inhi aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcMAY a1982-19850 v253 a

We describe the design, synthesis and SAR profiling of a series of novel combretastatin-nocodazole conjugates as potential anticancer agents. The thiophene ring in the nocodazole moiety was replaced by a substituted phenyl ring from the combretastatin moiety to design novel hybrid analogues. The hydroxyl group at the ortho position in compounds 2, 3 and 4 was used as the conformationally locking tool by anticipated six-membered hydrogen bonding. The bioactivity profiles of all compounds as tubulin polymerization inhibitors and as antiproliferative agents against the A-549 human lung cancer cell line were investigated Compounds 1 and 4 showed mu M IC50 values in both assays. (C) 2015 Elsevier Ltd. All rights reserved.

10aAnticancer10aColchicine10aNocodazole10aTubulin binding1 aKale, Sangram, S.1 aJedhe, Ganesh, S.1 aMeshram, Sachin, N.1 aSantra, Manas, K.1 aHamel, Ernest1 aSanjayan, Gangadhar, J. uhttps://library.ncl.res.in/content/novel-hybrid-nocodazole-analogues-tubulin-polymerization-inhibitors-and-their-001932nas a2200169 4500008004100000022001400041245010300055210006900158260007100227300001400298490000700312520123600319100003201555700002201587700002201609856013101631 2015 eng d a0888-588500aOpenFOAM computational fluid dynamic simulations of single-phase flows in an advanced-flow reactor0 aOpenFOAM computational fluid dynamic simulations of singlephase  a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcAUG a7543-75530 v543 a

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

1 aNieves-Remacha, Maria, Jose1 aKukarni, Amok, A.1 aJensen, Klavs, F. uhttps://library.ncl.res.in/content/openfoam-computational-fluid-dynamic-simulations-single-phase-flows-advanced-flow-reactor-001039nas a2200121 4500008004100000245005700041210005700098260000800155520062700163100002000790700001800810856008900828 2015 eng d00aPartial ionic bonding in homogeneous sodium clusters0 aPartial ionic bonding in homogeneous sodium clusters cAPR3 a

In this work, we report an interesting observation of partial ionic bonding due to charge transfer in homogeneous sodium clusters. The charge transfer causes the electronic charge to accumulate on the surface, and the resulting charges on atoms range between +0.4 to -1.0 |e^-|. We also demonstrate that this disparity among effective charges on atoms is geometry dependent, such that atoms experiencing similar surrounding, have equal effective charge. It is speculated that this phenomenon will occur among other homogeneous clusters as well, and its extent will be defined by the valence electron delocalization.

1 aKaware, Vaibhav1 aJoshi, Kavita uhttps://library.ncl.res.in/content/partial-ionic-bonding-homogeneous-sodium-clusters01109nas a2200169 4500008004100000022001400041245011900055210006900174260011000243300001600353490000700369520036400376100001900740700002200759700003000781856012800811 2015 eng d a1359-734500aPhenols from green tea as a dual functional coating to prepare devices for energy storage and molecular separation0 aPhenols from green tea as a dual functional coating to prepare d aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcJUN a11662-116640 v513 a

Polyphenols from green tea were used to electrolessly deposit gold on silk cocoons (SCs) and nanoporous aluminum oxide (AAO) templates. The gold coated cocoons were used as electrodes in supercapacitors and showed a capacitance as high as 254 F g(-1) and a specific power of 2287 W kg(-1). A metal coated AAO template was used for molecular separation.

1 aDas, Chayanika1 aJain, Bhanprakash1 aKrishnamoorthy, Kothandam uhttps://library.ncl.res.in/content/phenols-green-tea-dual-functional-coating-prepare-devices-energy-storage-and-molecular-001785nas a2200253 4500008004100000022001400041245008200055210006900137260007300206300001200279490000700291520094300298653000901241653001501250653001301265653002301278653000801301100002401309700002601333700002401359700001701383700001801400856011301418 2015 eng d a1293-255800aPhotochemical performance of ZnO nanostructures in dye sensitized solar cells0 aPhotochemical performance of ZnO nanostructures in dye sensitize aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcOCT a237-2430 v483 a

In this work, the photoconversion efficiencies of ZnO having diverse microstructures and structural defects have been investigated. A conversion efficiency of 138% was achieved for the DSSCs fabricated with as prepared ZnO nanorods having minimum vacancy defects and a favourable one dimensional directional pathway for electron conduction. The DSSCs fabricated with ZnO nanoparticles exhibited relatively low conversion efficiency of 1.004% probably due to multiple trapping/detrapping phenomena within the grain boundaries and ZnO flowers though exhibited a high dye adsorption capability exhibited the lowest conversion efficiency of 0.59% due to a high concentration of structural defects. Based on the experimental evidences, we believe that the type of defects and their concentrations are more important than shape in controlling the overall performance of ZnO based DSSCs. (C) 2015 Elsevier Masson SAS. All rights reserved.

10aDSSC10aEfficiency10aEmission10aStructural defects10aZnO1 aDas, Partha, Pratim1 aMukhopadhyay, Soumita1 aAgarkar, Shruti, A.1 aJana, Arpita1 aDevi, Sujatha uhttps://library.ncl.res.in/content/photochemical-performance-zno-nanostructures-dye-sensitized-solar-cells-001872nas a2200181 4500008004100000022001400041245005900055210005900114260009900173300002700272490000700299520119400306100002601500700002001526700002701546700002401573856009301597 2015 eng d a1071-102300aPhotosensitive field emission study of SnS2 nanosheets0 aPhotosensitive field emission study of SnS2 nanosheets aSTE 1 NO 1, 2 HUNTINGTON QUADRANGLE, MELVILLE, NY 11747-4502 USAbA V S AMER INST PHYSICScMAY aArticle Number: 03C1060 v333 a

SnS2 nanosheets (SnS(2)NSs), synthesized by one-step hydrothermal reaction, are subjected to field emission (FE) studies. For synthesis, specific concentrations of Na2SnO3 and thioamide solutions are used. The FE study is carried out in a planar diode configuration at a base pressure of similar to 10(-8) mbar. The emission photosensitivity is also investigated by illuminating the specimen with a visible light source. In dark, the turn on field, the electric field required to obtain a current density of 1 mu A/cm(2), is found to be 5.9 V/mu m. Upon illumination, the emitter with visible light, it is found to reduce to 5.0 V/mu m. A significant change in the nature of the Fowler-Nordheim plot with light illumination is also observed and has been explained on the basis of photoconductivity. Repetitive switching ON and OFF the light source, at a fixed applied voltage, is found to generate current pulses. The photosensitivity is also studied with various color filters. With the photoswitching and the enhanced field emission properties, it is envisaged that SnS(2)NSs possess a potential for optoelectronic applications of field emitters. (C) 2014 American Vacuum Society.

1 aJoshi, Padmashree, D.1 aJoag, Dilip, S.1 aRout, Chandra, Shekhar1 aLate, Dattatray, J. uhttps://library.ncl.res.in/content/photosensitive-field-emission-study-sns2-nanosheets-202489nas a2200277 4500008004100000022001400041245016500055210006900220260006700289300001000356490000800366520147900374653001401853653002101867653001501888653001501903653001901918653002801937100001701965700002101982700001602003700001702019700002102036700002602057856012802083 2015 eng d a1364-507200aPossible mechanism of antifungal phenazine-1-carboxamide from pseudomonas sp against dimorphic fungi Benjaminiella poitrasii and human pathogen Candida albicans0 aPossible mechanism of antifungal phenazine1carboxamide from pseu a111 RIVER ST, HOBOKEN 07030-5774, NJ USAbWILEY-BLACKWELLcJAN a39-480 v1183 a

AimInvestigation of antifungal mechanism of phenazine 1-carboxamide (PC) produced by a Pseudomonas strain MCC2142. Methods and ResultsAn antifungal metabolite produced by a Pseudomonas was purified and identified as PC. Human pathogenic fungi such as Candida albicans, Candidaglabrata, Cryptococcus neoformans, Fusarium oxysporum, Aspergillus fumigatus and Aspergillus niger were found to be inhibited by PC (MIC90 32-64gml(-1)). Addition of PC (20gml(-1)) during yeast (Y)-hypha (H) transitions inhibited germ tube formation by >90% and >99% in C.albicans National Collection of Industrial Microorganisms (NCIM) 3471 and nonpathogenic model Benjaminiella poitrasii, respectively. After exposure to PC (20gml(-1)), 75-80% yeast cells of B.poitrasii and C.albicans NCIM 3471 showed rhodamine 123 fluorescence indicating high intracellular reactive oxygen species (ROS) production. ROS further led to hyperpolarization of mitochondrial membrane, subsequently induction of apoptosis as evident by externalization of phosphatidylserine, DNA fragmentation, chromatin condensation and finally death in B.poitrasii. In C.albicans NCIM 3471, PC (20gml(-1)) induced apoptosis. ConclusionsThe antifungal effect of PC in B.poitrasii and C.albicans may be due to ROS-mediated apoptotic death. Significance and Impact of the StudyInhibition of Y-H transition of B.poitrasii and C.albicans by PC indicates that it may prove useful in the control of dimorphic human pathogens.

10aApoptosis10aCandida albicans10adimorphism10aphenazines10aPseudomonas sp10areactive oxygen species1 aTupe, S., G.1 aKulkarni, R., R.1 aShirazi, F.1 aSant, D., G.1 aJoshi, Swati, P.1 aDeshpande, Mukund, V. uhttps://library.ncl.res.in/content/possible-mechanism-antifungal-phenazine-1-carboxamide-pseudomonas-sp-against-dimorphic-001979nas a2200301 4500008004100000022001400041245010500055210006900160260007300229300001000302490000800312520097700320653001001297653001801307653001301325653002501338653001901363653000801382653000801390100001801398700002501416700001801441700002501459700002301484700002701507700002101534856012201555 2015 eng d a0921-510700aPreparation and characterization of flexible ferromagnetic nanocomposites for microwave applications0 aPreparation and characterization of flexible ferromagnetic nanoc aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcOCT a40-490 v2003 a

Magnetic Fe3O4 nanoparticles (similar to 20 nm) were synthesized using the chemical co-precipitation method with a view of developing flexible and easily processable ferromagnetic materials with high mouldability to be used as microwave absorbers. The nanoparticles prepared were incorporated into natural rubber through latex stage processing. This novel processing method gives better dispersion of particles in the rubber matrix. The composites were characterized using XRD, SEM, vibrating sample magnetometer, dynamic mechanical analyzer, cavity perturbation, thermogravimetry (TGA), and Fourier transform infrared photoacoustic spectroscopy (FTIR-PAS). A notable improvement in the mechanical properties of composites was observed upon adding Fe3O4 particles. Magnetic and microwave characteristics of the composites indicate the formation of a flexible ferromagnetic material with good microwave absorption characteristics. (C) 2015 Published by Elsevier B.V.

10aFe3O410aFerromagnetic10aFTIR-PAS10aMicrowave absorption10aNatural rubber10aSEM10aXRD1 aThomas, Teena1 aKanoth, Bipinbal, P.1 aNijas, C., M.1 aJoy, Pattayil, Alias1 aJoseph, Joseph, M.1 aKuthirummal, Narayanan1 aThachil, Eby, T. uhttps://library.ncl.res.in/content/preparation-and-characterization-flexible-ferromagnetic-nanocomposites-microwave-001718nas a2200169 4500008004100000022001400041245010300055210006900158260011000227300001600337490000600353520100600359100001401365700001801379700002301397856012801420 2015 eng d a2046-206900aPreparation of mesoporous titanosilicate with isolated Ti active centers for cyclohexene oxidation0 aPreparation of mesoporous titanosilicate with isolated Ti active aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcOCT a92371-923770 v53 a

We report the preparation of mesoporous titanosilicate with active Ti centres using CTAB as the structure directing agent and ethylenediamine as the complexing agent (TSC-ED). The finalmaterial contained isolated Ti4+ centres substituting Si4+ in the mesoporous silica framework. The crucial role played by ethylenediamine in complexing with Ti4+ during the sol-gel process and preventing the phase segregation of TiO2 was studied systematically. The textural parameters, structural order, morphology, nature and co-ordination of Ti species were analyzed using various techniques such as X-ray diffraction (XRD), UV-vis diffused reflectance spectroscopy (UV-vis DRS), UV resonance Raman spectroscopy, Fourier transformed Infrared spectroscopy (FT-IR), field emission scanning electron microscopy (FESEM), transition electron microscopy (TEM), and X-ray photoelectron spectroscopy. Finally, the catalysts were tested for catalytic activity in the oxidation of cyclohexene using various oxidants.

1 aGupta, S.1 aVinod, C., P.1 aJagadeesan, Dinesh uhttps://library.ncl.res.in/content/preparation-mesoporous-titanosilicate-isolated-ti-active-centers-cyclohexene-oxidation-002541nas a2200229 4500008004100000022001400041245013000055210006900185260011000254300001600364490000600380520161200386100002801998700002002026700002302046700002202069700002302091700001802114700002602132700002402158856012902182 2015 eng d a2046-206900aPt-nanoparticle functionalized carbon nano-onions for ultra-high energy supercapacitors and enhanced field emission behaviour0 aPtnanoparticle functionalized carbon nanoonions for ultrahigh en aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcSEP a80990-809970 v53 a

In the present work, we have investigated the charge storage capacitive response and field emission behaviour of platinum (Pt) nanoparticles decorated on carbon nano onions (CNOs) and compared them with those of pristine carbon nano onions. The specific capacitance observed for Pt-CNOs is 342.5 F g(-1), about six times higher than that of pristine CNOs, at a scan rate of 100 mV s(-1). The decoration with Pt nanoparticles, without any binder or polymer separator on the CNO, leading to enhanced supercapacitance is due to easy accessibility of Na2SO4 electrolyte in the active material. The Density Functional Theory (DFT) calculations of these systems reveal enhancement in the Density of States (DOS) near the Fermi energy (E-F) on account of platinum decoration on the CNOs. Furthermore, the field emission current density of similar to 0.63 mA cm(-2) has been achieved from the Pt-CNOs emitter at an applied electric field of similar to 4.5 V mu m(-1) and from the pristine CNOs sample current density of similar to 0.4 mA cm(-2) has been achieved at an applied electric field of similar to 6.6 V mu m(-1). The observed enhanced field emission behavior has been attributed to the improved electrical conductivity and increased emitting sites of the Pt-CNO emitter. The field emission current stability of the Pt-CNO emitter over a longer duration is found to be good. The observed results imply multifunctional potential of Pt-CNOs, as supercapacitor material in various next generation hybrid energy storage devices, and field emitters for next generation vacuum nano/microelectronic devices.

1 aSuryawanshi, Sachin, R.1 aKaware, Vaibhav1 aChakravarty, Disha1 aWalke, Pravin, S.1 aMore, Mahendra, A.1 aJoshi, Kavita1 aRout, Chandra, Sekhar1 aLate, Dattatray, J. uhttps://library.ncl.res.in/content/pt-nanoparticle-functionalized-carbon-nano-onions-ultra-high-energy-supercapacitors-and-002083nas a2200181 4500008004100000022001400041245008000055210006900135260011000204300001600314490000600330520136100336100002901697700002301726700002501749700002101774856010601795 2015 eng d a2046-206900aRecent development of plant products with anti-glycation activity: a review0 aRecent development of plant products with antiglycation activity aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcMAR a31113-311380 v53 a

Diabetes mellitus (DM) is an endocrine disorder characterized by chronic hyperglycemia, which results from an absolute or a relative deficiency of insulin or resistance to insulin. Hyperglycemia is increasingly linked to the pathogenesis of diabetic complications in individuals with long-duration diabetes. One of the inevitable consequences of hyperglycemia is the enhanced accumulation of advanced glycation end-products (AGEs), which are implicated in the pathogenesis of diabetes. Various natural products and their active constituents have reportedly been used for the treatment of diabetes and its complications. Some of these molecules are known to have anti-glycation activity. The search for novel anti-glycation agents from various sources is gaining a lot of importance. Attention has especially been focused on plants with an ethnopharmacological background and also on plants rich in triterpenoids and phenolics, which generally exhibit antioxidant and anti-glycation effects. Plant extracts or compounds obtained from them that possess both antioxidant and anti-glycation activities might have great therapeutic potential for treating diabetic complications. This review highlights the anti-glycation activities of phytochemicals, which will aid in the identification of lead molecules for the development of new anti-glycation drugs.

1 aChinchansure, Ashish, A.1 aKorwar, Arvind, M.1 aKulkarni, Mahesh, J.1 aJoshi, Swati, P. uhttps://library.ncl.res.in/content/recent-development-plant-products-anti-glycation-activity-review-001848nas a2200289 4500008004100000022001400041245013100055210006900186260007700255300001400332490000700346520079400353653002301147653001301170653001401183653002401197653002201221100001401243700002101257700002301278700002401301700002601325700002501351700002101376700002901397856013201426 2015 eng d a2192-650600aReduced graphene oxide composite with oxidizable manganese/cobalt mixed oxide for p-cresol oxidation by using molecular oxygen0 aReduced graphene oxide composite with oxidizable manganesecobalt aBOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANYbWILEY-V C H VERLAG GMBHcJUL a1164-11690 v803 a

A composite of graphene oxide (GO) with mixed oxide (MnCo) was prepared by using a solvothermal method. During the synthesis, both the reduction of GO and growth of metal oxides took place simultaneously. The as-prepared composite material was highly selective for the liquid-phase oxidation of p-cresol to form p-hydroxybenzaldehyde in 71% yield within 1h. The composite material was characterised by SEM, X-ray photoelectron spectroscopy, high-resolution TEM and cyclic voltammetry (CV). A CV study revealed that the increase in the redox potential of the mixed oxide after being supported on GO, led to its higher activity of the catalyst for the oxidation reaction. The stability of the catalyst under the reaction conditions was studied by its successful reuse in three cycles.

10acyclic voltammetry10agraphene10aOxidation10asupported catalysts10atransition metals1 aJha, Ajay1 aPatil, Sagar, H.1 aSolanki, Bhanu, P.1 aRibeiro, Ana, P. C.1 aCastro, Carlos, A. N.1 aPatil, Kashinath, R.1 aCoronas, Alberto1 aRode, Chandrashekhar, V. uhttps://library.ncl.res.in/content/reduced-graphene-oxide-composite-oxidizable-manganesecobalt-mixed-oxide-p-cresol-oxidation-001944nas a2200301 4500008004100000022001400041245009700055210006900152260008100221300001100302490000700313520092500320653002701245653000701272653002501279653001401304100001601318700001801334700001701352700001501369700001701384700002401401700002101425700002601446700002301472700002201495856012501517 2015 eng d a0022-372700aReduction of graphene oxide by 100 MeV Au ion irradiation and its application as H2O2 sensor0 aReduction of graphene oxide by 100 MeV Au ion irradiation and it aTEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLANDbIOP PUBLISHING LTDcSEP a3651050 v483 a

Graphene oxide (GO) synthesized from a modified Hummer's method was reduced (referred, rGO) by using 100 MeV Au ion species and its response to the sense H2O2 was investigated. The changes in the atomic composition and structural properties of rGO after irradiation were studied using x-ray diffraction, Fourier transform infrared spectroscopy and x-ray photoelectron spectroscopy. These results suggested that the removal of the oxygen-containing functional groups and the improvement of the electrochemical performance of reduced graphene oxide (rGO) after ion irradiation. Raman spectroscopic results revealed the increase in the disorder parameter (I-D/I-G) after Au ion irradiation and also the formation of a large number of small sp(2) domains due to the electronic energy loss of ion beam. The resultant rGO was investigated for H2O2 sensing using electrochemical techniques and it showed a good response.

10aelectronic energy loss10aGO10aion beam irradiation10areduction1 aHareesh, K.1 aJoshi, R., P.1 aShateesh, B.1 aAsokan, K.1 aKanjilal, D.1 aLate, Dattatray, J.1 aDahiwale, S., S.1 aBhoraskar, Vasant, N.1 aHaram, Santosh, K.1 aDhole, Sanjay, D. uhttps://library.ncl.res.in/content/reduction-graphene-oxide-100-mev-au-ion-irradiation-and-its-application-h2o2-sensor-101224nas a2200217 4500008004100000022001400041245013500055210006900190260011000259300001400369490000700383520033100390100002200721700002300743700002000766700002200786700002300808700002200831700002200853856013100875 2015 eng d a1144-054600aRegioselective and diastereoselective iodocyclization reaction of alkene-thioureas: an efficient approach to bicyclic beta-lactams0 aRegioselective and diastereoselective iodocyclization reaction o aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcSEP a9422-94280 v393 a

Bicyclic beta-lactams, i.e. 3-thia-1-dethiacephams, were synthesized via a highly regioselective and diastereoselective iodocyclization reaction of alkene-thioureas with molecular iodine. Furthermore, the structure of 3-thia-1-dethiacepham was confirmed by a chemical method, the dehydrohalogenation reaction using DBU.

1 aGarud, Dinesh, R.1 aSonawane, Amol, D.1 aAuti, Jyoti, B.1 aRode, Navnath, D.1 aRanpise, Vinod, R.1 aJoshi, Rohini, R.1 aJoshi, Ramesh, A. uhttps://library.ncl.res.in/content/regioselective-and-diastereoselective-iodocyclization-reaction-alkene-thioureas-efficient-000609nas a2200169 4500008004100000245008500041210006900126260000800195300001600203490000700219100002700226700001800253700002000271700002100291700001900312856010800331 2015 eng d00aRelease of a guest by disassembling a capsule through a photo triggering process0 aRelease of a guest by disassembling a capsule through a photo tr cJAN a4374 - 43770 v151 aNithyanandhan, Jayaraj1 aJagadesan, P.1 aSamanta, S., R.1 aDa Silva, J., P.1 aRamamurthy, V. uhttps://library.ncl.res.in/content/release-guest-disassembling-capsule-through-photo-triggering-process02873nas a2200325 4500008004100000022001400041245012300055210006900178260006700247300001200314490000700326520171600333653003602049653001002085653002702095653001102122653001402133653001302147653001502160100002502175700002102200700002102221700002702242700003902269700002302308700003602331700002502367700002402392856013102416 2015 eng d a1474-971800aRifampicin reduces advanced glycation end products and activates DAF-16 to increase lifespan in Caenorhabditis elegans0 aRifampicin reduces advanced glycation end products and activates a111 RIVER ST, HOBOKEN 07030-5774, NJ USAbWILEY-BLACKWELLcJUN a463-4730 v143 a

Advanced glycation end products (AGEs) are formed when glucose reacts nonenzymatically with proteins; these modifications are implicated in aging and pathogenesis of many age-related diseases including type II diabetes, atherosclerosis, and neurodegenerative disorders. Thus, pharmaceutical interventions that can reduce AGEs may delay age-onset diseases and extend lifespan. Using LC-MSE, we show that rifampicin (RIF) reduces glycation of important cellular proteins in vivo and consequently increases lifespan in Caenorhabditis elegans by up to 60%. RIF analog rifamycin SV (RSV) possesses similar properties, while rifaximin (RMN) lacks antiglycation activity and therefore fails to affect lifespan positively. The efficacy of RIF and RSV as potent antiglycating agents may be attributed to the presence of a p-dihydroxyl moiety that can potentially undergo spontaneous oxidation to yield highly reactive p-quinone structures, a feature absent in RMN. We also show that supplementing rifampicin late in adulthood is sufficient to increase lifespan. For its effect on longevity, rifampicin requires DAF-18 (nematode PTEN) as well as JNK-1 and activates DAF-16, the FOXO homolog. Interestingly, the drug treatment modulates transcription of a different subset of DAF-16 target genes, those not controlled by the conserved Insulin-IGF-1-like signaling pathway. RIF failed to increase the lifespan of daf-16 null mutant despite reducing glycation, showing thereby that DAF-16 may not directly affect AGE formation. Together, our data suggest that the dual ability to reduce glycation in vivo and activate prolongevity processes through DAF-16 makes RIF and RSV effective lifespan-extending interventions.

10aadvanced glycation end products10aaging10aCaenorhabditis elegans10aDAF-1610aGlycation10alifespan10arifampicin1 aGolegaonkar, Sandeep1 aTabrez, Syed, S.1 aPandit, Awadhesh1 aSethurathinam, Shalini1 aJagadeeshaprasad, Mashanipalya, G.1 aBansode, Sneha, B.1 aSampathkumar, Srinivasa-Gopalan1 aKulkarni, Mahesh, J.1 aMukhopadhyay, Arnab uhttps://library.ncl.res.in/content/rifampicin-reduces-advanced-glycation-end-products-and-activates-daf-16-increase-lifespan-002126nas a2200193 4500008004100000022001400041245009800055210006900153260007100222300001400293490000700307520137200314100002501686700002101711700003101732700002301763700001801786856012801804 2015 eng d a0006-296000aRNA stem-loop to G-quadruplex equilibrium controls mature MicroRNA production inside the cell0 aRNA stemloop to Gquadruplex equilibrium controls mature MicroRNA a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcDEC a7067-70780 v543 a

The biological role of the existence of overlapping structures in RNA is possible yet remains very unexplored. G-Rich tracts of RNA form G-quadruplexes, while GC-rich sequences prefer stem-loop structures. The equilibrium between alternate structures within RNA may occur and influence its functionality. We tested the equilibrium between G-quadruplex and stem-loop structure in RNA and its effect on biological processes using pre-miRNA as a model system. Dicer enzyme recognizes canonical stem-loop structures in pre-miRNA to produce mature miRNAs. Deviation from stem-loop leads to deregulated mature miRNA levels, providing readout of the existence of an alternate structure per se G-quadruplex-mediated structural interference in miRNA maturation. In vitro analysis using beacon and Dicer cleavage assays indicated that mature miRNA levels depend on relative amounts of K+: and Mg2+ ions, suggesting an ion-dependent structural shift. Further in cellulo studies with and without TmPyP4 (RNA G-quadruplex destabilizer) demonstrated that miRNA biogenesis is modulated by G-quadruplex to stem-loop equilibrium in a subset of pre-miRNAs. Our combined analysis thus provides evidence of the formation of noncanonical G-quaciruplexes in competition with canonical stem-loop structure inside the cell and its effect on miRNA maturation in a comprehensive manner.

1 aPandey, Satyaprakash1 aAgarwala, Prachi1 aJayaraj, Gopal, Gunanathan1 aGargallo, Raimundo1 aMaiti, Souvik uhttps://library.ncl.res.in/content/rna-stem-loop-g-quadruplex-equilibrium-controls-mature-microrna-production-inside-cell-001851nas a2200193 4500008004100000245012800041210006900169260000800238300001200246490000600258520112400264100001901388700002901407700002501436700002401461700001901485700002101504856013201525 2015 eng d00aRottlerin derivatives and other compounds from mallotus philippinensis fruits and their potential antimycobactrial activity0 aRottlerin derivatives and other compounds from mallotus philippi cJUN ae28-e300 v23 a

The methanolic extract of the fruits of Mallotus philippinensis afforded 13 compounds, 7,11-diketo-lanost-3-ol (1, as acetate), lanosta-8-ene-3β-ol (2, as acetate), pregnenolone (3, as acetate), trans-chalcone (4), kamalachalcone E (5), oleanolic acid (6), gallic acid (7), kaempferol (8), myricetin (9), 1-(5,7-dihydroxy-2,2,6-trimethyl-2 H-1-benzopyran-8-yl)-3-phenyl-2-propen-1-one (10), 4′-hydroxyisorottlerin (11), rottlerin (12), and shikimic acid (13). Compound 1 was isolated as a new natural product and its structure was elucidated by 1D and 2D nuclear magnetic resonance analyses including heteronuclear single quantum correlation, heteronuclear multiple-bond correlation, correlation spectroscopy, and nuclear Overhauser effect spectroscopy experiments. All of the isolated compounds were evaluated for their antimycobacterium activity against Mycobacterium tuberculosis H37Ra. Compounds 11 and 12 exhibited promising inhibitory activity with IC50 values of 0.89 ± 0.33 µg/mL (MIC 2.06 ± 0.41 µg/mL) and 7.59 ± 0.42 µg/mL (MIC 11.56 ± 0.35 µg/mL), respectively.

1 aBhardwaj, Rima1 aChinchansure, Ashish, A.1 aKulkarni, Roshan, R.1 aArkile, Manisha, A.1 aSarkar, Dhiman1 aJoshi, Swati, P. uhttps://library.ncl.res.in/content/rottlerin-derivatives-and-other-compounds-mallotus-philippinensis-fruits-and-their-potential01731nas a2200289 4500008004100000022001400041245009400055210006900149260007100218300001400289490000600303520071400309653002101023653002101044653002801065653001601093653001901109100002701128700001801155700002101173700002501194700002501219700002201244700002601266700002101292856012801313 2015 eng d a1948-587500aSilicon incorporated morpholine antifungals: design, synthesis, and biological evaluation0 aSilicon incorporated morpholine antifungals design synthesis and a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcNOV a1111-11160 v63 a

Known morpholine class antifungals (fenpropimorph, fenpropidin, and amorolfine) were synthetically modified through silicon incorporation to have 15 sila-analogues. Twelve sila-analogues exhibited potent antifungal activity against different human fungal pathogens such as Candida albicans, Candida glabrata, Candida tropicalis, Cryptococcus neoformans, and Aspergillus niger. Si la-analogue 24 (fenpropimorph analogue) was the best in our hands, which showed superior fungicidal potential than fenpropidin, fenpropimorph, and amorolfine. The mode of action of sila-analogues was similar to morpholines, i.e., inhibition of sterol reductase and sterol isomerase enzymes of ergosterol synthesis pathway.

10aAntifungal drugs10aCandida albicans10aergosterol biosynthesis10amorpholines10asila-analogues1 aJachak, Gorakhnath, R.1 aRamesh, Remya1 aSant, Duhita, G.1 aJorwekar, Shweta, U.1 aJadhav, Manjusha, R.1 aTupe, Santosh, G.1 aDeshpande, Mukund, V.1 aReddy, Srinivasa uhttps://library.ncl.res.in/content/silicon-incorporated-morpholine-antifungals-design-synthesis-and-biological-evaluation-001609nas a2200265 4500008004100000022001400041245009900055210006900154260006400223300000700287490000600294520068100300653002200981653002201003653000901025653002201034653002301056100002301079700002501102700002301127700002201150700002401172700002301196856012401219 2015 eng d a1847-980400aStable field emission from layered MoS2 nanosheets in high vacuum and observation of 1/f noise0 aStable field emission from layered MoS2 nanosheets in high vacuu aJANEZA TRDINE 9, RIJEKA, 51000, CROATIAbINTECH EUROPEcAPR a100 v53 a

Field emission and current noise of hydrothermally synthesized MoS2 nanosheets are investigated in ultra-high-vacuum and industrially suited high-vacuum conditions. The study reveals that the emission turn-on field is pressure dependent. Moreover, the MoS2 nanosheets exhibit more stable field-electron emission in high-vacuum than in ultra-high-vacuum conditions. The investigations on field-emission current fluctuations show features of 1/f-type noise in ultra-high-vacuum and high-vacuum conditions, attributed to adsorption and desorption processes. The post-field-emission results indicate the MoS2 nanosheets are a robust field emitter in high-vacuum conditions.

10aElectron emission10alayered materials10aMoS210aNoise measurement10aRaman spectroscopy1 aKashid, Ranjit, V.1 aJoag, Pracheetee, D.1 aThripuranthaka, M.1 aRout, Chandra, S.1 aLate, Dattatray, J.1 aMore, Mahendra, A. uhttps://library.ncl.res.in/content/stable-field-emission-layered-mos2-nanosheets-high-vacuum-and-observation-1f-noise-101134nas a2200181 4500008004100000022001400041245014400055210006900199260011000268300001600378490000600394520033300400100003200733700002000765700002400785700001900809856012400828 2015 eng d a2046-206900aStereocontrolled synthesis of Hagen's gland lactones via iterative proline catalyzed alpha-aminoxylation and oxa-Michael addition reactions0 aStereocontrolled synthesis of Hagens gland lactones via iterativ aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcJUL a61000-610050 v53 a

A simple and efficient synthesis of Hagen's gland lactones was achieved using a sequential alpha-aminoxylation/oxa-Michael approach in a highly diastereoselective manner with assignment of relative configurations. This method was found to be applicable to the synthesis of various other isomers of Hagen's gland lactones.

1 aKauloorkar, Shruti, Vandana1 aJha, Vishwajeet1 aJogdand, Ganesh, F.1 aKumar, Pradeep uhttps://library.ncl.res.in/content/stereocontrolled-synthesis-hagens-gland-lactones-iterative-proline-catalyzed-alpha-002856nas a2200277 4500008004100000022001400041245009000055210006900145260005700214300001200271490000800283520193300291653001002224653001302234653002202247653001302269653002502282100002202307700002002329700002802349700002202377700001902399700002102418700002002439856011902459 2015 eng d a0032-093500aStructural features of diverse Pin-II proteinase inhibitor genes from capsicum annuum0 aStructural features of diverse PinII proteinase inhibitor genes  a233 SPRING ST, NEW YORK, NY 10013 USAbSPRINGERcFEB a319-3310 v2413 a

The proteinase inhibitor (PI) genes from Capsicum annuum were characterized with respect to their UTR, introns and promoter elements. The occurrence of PIs with circularly permuted domain organization was evident. Several potato inhibitor II (Pin-II) type proteinase inhibitor (PI) genes have been analyzed from Capsicum annuum (L.) with respect to their differential expression during plant defense response. However, complete gene characterization of any of these C. annuum PIs (CanPIs) has not been carried out so far. Complete gene architectures of a previously identified CanPI-7 (Beads-on-string, Type A) and a member of newly isolated Bracelet type B, CanPI-69 are reported in this study. The 5' UTR (untranslated region), 3'UTR, and intronic sequences of both the CanPI genes were obtained. The genomic sequence of CanPI-7 exhibited, exon 1 (49 base pair, bp) and exon 2 (740 bp) interrupted by a 294-bp long type I intron. We noted the occurrence of three multi-domain PIs (CanPI-69, 70, 71) with circularly permuted domain organization. CanPI-69 was found to possess exon 1 (49 bp), exon 2 (551 bp) and a 584-bp long type I intron. The upstream sequence analysis of CanPI-7 and CanPI-69 predicted various transcription factor-binding sites including TATA and CAAT boxes, hormone-responsive elements (ABRELATERD1, DOFCOREZM, ERELEE4), and a defense-responsive element (WRKY71OS). Binding of transcription factors such as zinc finger motif MADS-box and MYB to the promoter regions was confirmed using electrophoretic mobility shift assay followed by mass spectrometric identification. The 3' UTR analysis for 25 CanPI genes revealed unique/distinct 3' UTR sequence for each gene. Structures of three domain CanPIs of type A and B were predicted and further analyzed for their attributes. This investigation of CanPI gene architecture will enable the better understanding of the genetic elements present in CanPIs.

10aCanPI10aCapsicum10aGene architecture10aPromoter10aProteinase inhibitor1 aMahajan, Neha, S.1 aDewangan, Veena1 aLomate, Purushottam, R.1 aJoshi, Rakesh, S.1 aMishra, Manasi1 aGupta, Vidya, S.1 aGiri, Ashok, P. uhttps://library.ncl.res.in/content/structural-features-diverse-pin-ii-proteinase-inhibitor-genes-capsicum-annuum-001760nas a2200217 4500008004100000022001400041245006500055210006500120260007500185300001200260490000700272520100800279653001601287653001501303653002701318653003601345100001801381700002101399700002601420856009601446 2015 eng d a1566-254300aStudies on melt processable biocomposites of polylactic acid0 aStudies on melt processable biocomposites of polylactic acid a233 SPRING ST, NEW YORK, NY 10013 USAbSPRINGER/PLENUM PUBLISHERScSEP a321-3330 v233 a

Melt processable microcrystalline cellulose (MCC)/poly(lactic acid) (PLA) composites were successfully prepared by twin-screw extrusion. Several characterization techniques were used to investigate the effect of MCC on rheological behavior, morphology, crystallization and melting behavior of the PLA and structure-property correlation of the MCC/PLA composites has been established. Rheological measurements showed that the addition of MCC has a dramatic influence on the low frequency relaxations of PLA chains and above 5 % of MCC, it forms percolated network structure. Differential scanning calorimeter analysis showed that MCC acted as nucleating agent enhancing crystallization below the percolation concentration. Properties of MCC/PLA composites have been compared with that of talc and CaCO3 filled composites. Talc is found to be more effective in crystallizing PLA than MCC and CaCO3. MCC/PLA composites are found be melt processable like that of talc and CaCO3 filled PLA composites.

10aBiopolymers10acomposites10aRheological properties10aStructure-property relationship1 aJoseph, Seena1 aDeenadayalan, E.1 aMahanwar, Prakash, A. uhttps://library.ncl.res.in/content/studies-melt-processable-biocomposites-polylactic-acid-002881nas a2200325 4500008004100000022001400041245011500055210006900170260011100239300001200350490000700362520173200369653001702101653001902118653001902137653002002156653003402176653001602210653001502226653002102241653001802262653001602280100001502296700001802311700001502329700002302344700003302367700002602400856012902426 2015 eng d a1386-207300aStudy of applications of machine learning based classification methods for virtual screening of lead molecules0 aStudy of applications of machine learning based classification m aEXECUTIVE STE Y-2, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATESbBENTHAM SCIENCE PUBL LTDcAUG a658-6720 v183 a

The ligand-based virtual screening of combinatorial libraries employs a number of statistical modeling and machine learning methods. A comprehensive analysis of the application of these methods for the diversity oriented virtual screening of biological targets/drug classes is presented here. A number of classification models have been built using three types of inputs namely structure based descriptors, molecular fingerprints and therapeutic category for performing virtual screening. The activity and affinity descriptors of a set of inhibitors of four target classes DHFR, COX, LOX and NMDA have been utilized to train a total of six classifiers viz. Artificial Neural Network (ANN), k nearest neighbor (k-NN), Support Vector Machine (SVM), Naive Bayes (NB), Decision Tree - (DT) and Random Forest - (RF). Among these classifiers, the ANN was found as the best classifier with an AUC of 0.9 irrespective of the target. New molecular fingerprints based on pharmacophore, toxicophore and chemophore (PTC), were used to build the ANN models for each dataset. A good accuracy of 87.27% was obtained using 296 chemophoric binary fingerprints for the COX-LOX inhibitors compared to pharmacophoric (67.82 %) and toxicophoric (70.64 %). The methodology was validated on the classical Ames mutagenecity dataset of 4337 molecules. To evaluate it further, selectivity and promiscuity of molecules from five drug classes viz. anti-anginal, anti-convulsant, anti-depressant, anti-arrhythmic and anti-diabetic were studied. The TPC fingerprints computed for each category were able to capture the drug-class specific features using the k-NN classifier. These models can be useful for selecting optimal molecules for drug design.

10aAnti-anginal10aanti-arrythmic10aanti-bacterial10aanti-convulsant10aanti-depressant anti-diabetic10abinary QSAR10achemophore10amachine learning10apharmacophore10atoxicophore1 aVyas, Renu1 aBapat, Sanket1 aJain, Esha1 aTambe, Sanjeev, S.1 aKarthikeyan, Muthukumarasamy1 aKulkarni, Bhaskar, D. uhttps://library.ncl.res.in/content/study-applications-machine-learning-based-classification-methods-virtual-screening-lead-001290nas a2200229 4500008004100000022001400041245015400055210006900209260007500278300001400353490000700367520041100374653001800785653001700803653002100820653002200841653002700863100001700890700002100907700001900928856011300947 2015 eng d a0039-788100aSulfuryl chloride promoted gem-dichlorination-dehydrochlorination in alkyl benzothiazinylacetates: synthesis of the skeleton of trichochrome pigments0 aSulfuryl chloride promoted gemdichlorinationdehydrochlorination  aRUDIGERSTR 14, D-70469 STUTTGART, GERMANYbGEORG THIEME VERLAG KGcSEP a2631-26340 v473 a

Chemo- and stereoselective total synthesis of the basic trichochrome skeleton is described starting from o-aminothiophenol and maleic anhydride in very good overall yield. The process involves the synthesis of the corresponding 1,4-benzothiazin-2-ylacetates followed by their sulfuryl chloride induced dihalogenation-dehydrohalogenation and a second condensation with o-aminothiophenol as key steps.

10acondensations10ahalogenation10amaleic anhydride10ao-aminothiophenol10atrichochrome framework1 aJangir, Ravi1 aGadre, Smita, R.1 aArgade, N., P. uhttps://library.ncl.res.in/content/sulfuryl-chloride-promoted-gem-dichlorination-dehydrochlorination-alkyl-002896nas a2200313 4500008004100000022001400041245011800055210006900173260010300242300001200345490000700357520176400364653000602128653000602134653002702140653003302167653001502200653001602215653003002231100002602261700002202287700002502309700002102334700002602355700002702381700002402408700002602432856012402458 2015 eng d a0376-469900aSynthesis and antifungal potential of 1,2,3-triazole and 1,2,4-triazole thiol substituted strobilurin derivatives0 aSynthesis and antifungal potential of 123triazole and 124triazol aANUSANDHAN BHAWAN, 2 RAFI MARG, NEW DELHI, 110001, INDIAbCOUNCIL SCIENTIFIC & INDUSTRIAL REScJUL a908-9170 v543 a

beta-Methoxyacrylate group is an important pharmacophore of commercially used strobilurin fungicides. In the present study, a total of seventeen 1,2,4-triazole thiols 8a-h and 1,2,3-triazole substituted 10a-i strobilurin derivatives have been synthesized. 1,2,4-Triazole thiol substituted strobilurin derivatives 8a-h have been found to inhibit the growth of plant pathogens such as Fusarium oxysporum, Magnaporthe grisea, Drechslera oryzae and human pathogens Aspergillus fumigatus and different strains of Cryptococcus neoformans, with MIC in the range of 16-256 mu g/mL. In case of Candida albicans tested strain, the MIC is > 256 mu g/mL. p-Chlorophenyl substituted 1,2,4-triazole thiol strobiulrin derivative 8e is the most potent inhibitor with MIC of 16-64 mu g/mL against most of the tested pathogens. Antifungal action of the compounds is due to inhibition of mitochondrial respiration. In the resazurin reduction assay, EC50 for inhibition of RZ reduction in D. oryzae by azoxystrobin and 8e are 3.42 +/- 0.03 mu g/mL and 3.63 +/- 0.21 mu g/mL, respectively; while in case of C. neoformans, EC50,, of azoxystrobin and 8e are between 0.65-0.85 mu g/mL. In a non-pathogenic model Benjaminiella poitrasii, though the MIC for all the synthesized compounds 8a-h and 10a-i are > 256 mu g/ml, yeast to hypha transition is inhibited in the range of 21-75% at 4 mu g/mL concentration while EC50 for inhibition of RZ reduction by azoxystrobin and 8e are 31.5 +/- 0.4 mu g/mL and 17.95 +/- 0.7 mu g/mL, respectively. The 50% germ tube formation inhibition in case of C. albicans is observed at 108.49 mu g/mL. 1,2,4-Triazole thiol substituted strobilurin derivatives hold promise for the control of pathogenic fungi in agriculture and health care.

10a110a210a3-triazole strobilurin10a4-triazole thiol strobilurin10aantifungal10aStrobilurin10aY-H transition inhibition1 aChaudhary, Preeti, M.1 aTupe, Santosh, G.1 aJorwekar, Shweta, U.1 aSant, Duhita, G.1 aDeshpande, Sunita, R.1 aMaybhate, Shailaja, P.1 aLikhite, Anjali, P.1 aDeshpande, Mukund, V. uhttps://library.ncl.res.in/content/synthesis-and-antifungal-potential-123-triazole-and-124-triazole-thiol-substituted-001535nas a2200241 4500008004100000022001400041245010100055210006900156260000800225300001400233490000600247520070700253100002500960700002500985700002101010700002201031700002301053700002401076700002601100700002301126700001901149856012501168 2015 eng d a2040-250300aSynthesis and evaluation of thieno[2,3-d]pyrimidin-4(3H)-ones as potential antitubercular agents0 aSynthesis and evaluation of thieno23dpyrimidin43Hones as potenti cAUG a2209-22150 v63 a

A number of thieno[2,3-d]pyrimidin-4(3H)-ones were designed, synthesized and screened against Mycobacteria as a part of our program to develop new antitubercular agents. It was observed that some of the compounds have significant antimycobacterial activity against Mycobacterium tuberculosis H37Ra (ATCC 25177) and Mycobacterium bovis BCG (ATCC 35743). The active compounds were studied for cytotoxicity against four cell lines and were found to be non-cytotoxic. The results showed that compounds 13b and 29e were found to exhibit very good antimycobacterial activity (MIC in the range of 6-8 mu M) and the thienopyrimidinones as a class have potential to be developed as antitubercular agents.

1 aBorate, Hanumant, B.1 aAnnadate, Ritesh, A.1 aVagh, Sandip, S.1 aPisal, Mahesh, M.1 aDeokate, Sagar, B.1 aArkile, Manisha, A.1 aJadhav, Nandadeep, J.1 aNawale, Laxman, U.1 aSarkar, Dhiman uhttps://library.ncl.res.in/content/synthesis-and-evaluation-thieno23-dpyrimidin-43h-ones-potential-antitubercular-agents01798nas a2200349 4500008004100000022001400041245013200055210006900187260009200256300001400348490000800362520061500370653000600985653000600991653001700997653002201014653001801036653001601054653000901070653002901079100002401108700001801132700001601150700002001166700002001186700001701206700002101223700002501244700002201269700002601291856013101317 2015 eng d a1042-650700aSynthesis, antioxidant, anti-inflammatory, and antimicrobial screening of newer thiophene-fused arylpyrazolyl 1,3,4-oxadiazoles0 aSynthesis antioxidant antiinflammatory and antimicrobial screeni a4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLANDbTAYLOR & FRANCIS LTDcNOV a1803-18130 v1903 a

A series of newer 1,3,4-oxadiazole derivatives 3a-h, 5a-h containing a thiophene fused with pyrazole moiety of pharmacological significance have been synthesized. The compounds were characterized by H-1 NMR, IR, and mass spectral techniques. The compounds were screened for their in vitro antioxidant, anti-inflammatory and antimicrobial activities. Among them, Compounds 3b (EC50-14.98) and 3f (EC50-12.21) showed significant antioxidant activity. Compound 3a (EC50-15.23) showed good anti-inflammatory activity. Compound 3d was found as the most active derivative against bacterial and fungal strains.

10a110a310a4-Oxadiazole10aAnti-inflammatory10aAntimicrobial10aAntioxidant10aEC5010aThiophene-fused pyrazole1 aMahajan, Pravin, S.1 aNikam, Mukesh1 aChate, Asha1 aNimbalkar, Urja1 aPatil, Vrushali1 aBobade, Anil1 aChaudhari, Abhay1 aDeolankar, Dattatray1 aJavale, Balasaheb1 aGill, Charansingh, H. uhttps://library.ncl.res.in/content/synthesis-antioxidant-anti-inflammatory-and-antimicrobial-screening-newer-thiophene-fused-001473nas a2200277 4500008004100000022001400041245008400055210006900139260007500208300001400283490000700297520053300304653001300837653002700850653002000877653001900897653001300916100002200929700002200951700002100973700002300994700002201017700002201039700002001061856011401081 2015 eng d a0039-788100aSynthesis of 3-Thia-1-dethiacephems via Regioselective Iodocyclization Reaction0 aSynthesis of 3Thia1dethiacephems via Regioselective Iodocyclizat aRUDIGERSTR 14, D-70469 STUTTGART, GERMANYbGEORG THIEME VERLAG KGcDEC a3956-39620 v473 a

The key N-homopropargylthiourea intermediates, N-substituted 2-oxo-4-propargylazetidine-1-carbothioamides, were prepared by the reaction of a 4-propargylazetidin-2-one with isothiocyanates. Bicyclic -lactams, i.e. 3-thia-1-dethiacephems, were prepared via highly regioselective iodocyclization reaction of N-substituted 2-oxo-4-propargylazetidine-1-carbothioamides with molecular iodine at room temperature in moderate to excellent yields. A variety of functional groups were well tolerated under the reaction conditions.

10a-lactams10a3-thia-1-dethiacephems10aIodocyclization10aRegioselective10athiourea1 aGarud, Dinesh, R.1 aRode, Navnath, D.1 aBathe, Sagar, R.1 aRanpise, Vinod, S.1 aJoshi, Ramesh, A.1 aJoshi, Rohini, R.1 aKoketsu, Mamoru uhttps://library.ncl.res.in/content/synthesis-3-thia-1-dethiacephems-regioselective-iodocyclization-reaction-001207nas a2200229 4500008004100000022001400041245008800055210006900143260010600212300001400318490000700332520037200339653002400711653001500735653001400750653001700764100002100781700002200802700001800824700002500842856011000867 2015 eng d a0040-403900aSynthesis of (+/-) debenzoyl analogs of norsampsones as potential anticancer agents0 aSynthesis of debenzoyl analogs of norsampsones as potential anti aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcSEP a5235-52370 v563 a

Synthesis of (+/-) debenzoyl analogs of norsampsones 1 and 2 is reported starting from commercially available 1,3-cyclohexadione in six steps with overall yields of 37% and 36%, respectively. Compounds 1 and 2 were tested for their anticancer activity and showed moderate anticancer activity against HeLa cell lines. (C) 2015 Elsevier Ltd. All rights reserved.

10aAcylphloroglucinols10aAnticancer10aDebenzoyl10aNorsampsones1 aJadhav, Amol, R.1 aThombal, Raju, S.1 aNigam, Preeti1 aJadhav, Vrushali, H. uhttps://library.ncl.res.in/content/synthesis-debenzoyl-analogs-norsampsones-potential-anticancer-agents-002428nas a2200301 4500008004100000022001400041245009900055210006900154260006700223300001200290490000700302520136400309653002801673653003301701653001601734653002701750100002101777700002101798700002301819700003401842700001801876700001901894700002201913700002201935700002101957700002401978856012402002 2015 eng d a1747-027700aTargeting dormant tuberculosis bacilli: results for molecules with a novel pyrimidone scaffold0 aTargeting dormant tuberculosis bacilli results for molecules wit a111 RIVER ST, HOBOKEN 07030-5774, NJ USAbWILEY-BLACKWELLcFEB a201-2070 v853 a

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

10aAntitubercular activity10adormant tuberculosis bacilli10apyrimidones10arecursive partitioning1 aJoshi, Rohit, R.1 aBarchha, Avinash1 aKhedkar, Vijay, M.1 aPissurlenkar, Raghuvir, R. S.1 aSarkar, Sampa1 aSarkar, Dhiman1 aJoshi, Rohini, R.1 aJoshi, Ramesh, A.1 aShah, Anamik, K.1 aCoutinho, Evans, C. uhttps://library.ncl.res.in/content/targeting-dormant-tuberculosis-bacilli-results-molecules-novel-pyrimidone-scaffold-002554nas a2200325 4500008004100000022001400041245010200055210006900157260007100226300001600297490000600313520142000319653002201739653002201761653002301783653001901806653002101825653002001846100002201866700002301888700002001911700002201931700002001953700002301973700002401996700003102020700003002051700002402081856012302105 2015 eng d a1944-824400aTemperature-dependent raman spectroscopy of titanium trisulfide (TiS3) nanoribbons and nanosheets0 aTemperaturedependent raman spectroscopy of titanium trisulfide T a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcNOV a24185-241900 v73 a

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

10a2D semiconductors10alayered materials10aRaman spectroscopy10athermal effect10aTiS3 nanoribbons10aTiS3 nanosheets1 aPawbake, Amit, S.1 aIsland, Joshua, O.1 aFlores, Eduardo1 aAres, Jose, Ramon1 aSanchez, Carlos1 aFerrer, Isabel, J.1 aJadkar, Sandesh, R.1 avan der Zant, Herre, S. J.1 aCastellanos-Gomez, Andres1 aLate, Dattatray, J. uhttps://library.ncl.res.in/content/temperature-dependent-raman-spectroscopy-titanium-trisulfide-tis3-nanoribbons-and-002651nas a2200241 4500008004100000022001400041245011100055210006900166260007100235300001400306490000800320520176800328100002202096700001802118700002502136700002002161700002402181700002402205700002602229700001802255700001702273856011902290 2015 eng d a1089-563900aTerahertz spectroscopy and solid-state density functional theory calculations of cyanobenzaldehyde isomers0 aTerahertz spectroscopy and solidstate density functional theory  a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcJUL a7991-79990 v1193 a

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

1 aDash, Jyotirmayee1 aRay, Shaurnik1 aNallappan, Kathirvel1 aKaware, Vaibhav1 aBasutkar, Nitin, B.1 aGonnade, Rajesh, G.1 aAmbade, Ashootosh, V.1 aJoshi, Kavita1 aPesala, Bala uhttps://library.ncl.res.in/content/terahertz-spectroscopy-and-solid-state-density-functional-theory-calculations-001692nas a2200205 4500008004100000022001400041245007700055210006900132260011000201300001600311490000600327520089700333100002301230700002501253700002501278700001901303700002501322700002501347856011401372 2015 eng d a2046-206900aTolbutamide induces conformational change and promotes albumin glycation0 aTolbutamide induces conformational change and promotes albumin g aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcAPR a40070-400750 v53 a

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

1 aBansode, Sneha, B.1 aBatkulwar, Kedar, B.1 aWarkad, Shrikant, D.1 aJana, Asis, K.1 aSengupta, Neelanjana1 aKulkarni, Mahesh, J. uhttps://library.ncl.res.in/content/tolbutamide-induces-conformational-change-and-promotes-albumin-glycation-001931nas a2200325 4500008004100000022001400041245006800055210006700123260007700190300001400267490000700281520089600288653001601184653001301200653002101213653002101234653002001255100001701275700001701292700001801309700001801327700002401345700002601369700002601395700001701421700002301438700001801461700002401479856010201503 2015 eng d a0947-653900aTotal and semi-syntheses of antimicrobial thuggacin derivatives0 aTotal and semisyntheses of antimicrobial thuggacin derivatives aBOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANYbWILEY-V C H VERLAG GMBHcMAR a4272-42840 v213 a

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

10aantibiotics10alactones10aNatural products10asynthesis design10aTotal synthesis1 aFranke, Jana1 aBock, Martin1 aDehn, Richard1 aFohrer, Joerg1 aMhaske, Santosh, B.1 aMigliorini, Antonella1 aKanakis, Argyrios, A.1 aJansen, Rolf1 aHerrmann, Jennifer1 aMueller, Rolf1 aKirschning, Andreas uhttps://library.ncl.res.in/content/total-and-semi-syntheses-antimicrobial-thuggacin-derivatives-001357nas a2200253 4500008004100000022001400041245013200055210006900187260007100256300001400327490000600341520041500347653003300762653002200795653002000817653001700837653002000854100002400874700002400898700002100922700001800943700002100961856012100982 2015 eng d a1948-587500aTotal syntheses and biological evaluation of (+/-)-botryosphaeridione, (+/-)-pleodendione, 4-epi-periconianone B, and analogues0 aTotal syntheses and biological evaluation of botryosphaeridione  a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcNOV a1117-11210 v63 a

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

10aantineuroinflammatoty agents10abohyosphaeridione10aNatural product10apleodendione10aTotal synthesis1 aHandore, Kishor, L.1 aJadhav, Prakash, D.1 aHazra, Bibhabasu1 aBasu, Anirban1 aReddy, Srinivasa uhttps://library.ncl.res.in/content/total-syntheses-and-biological-evaluation-botryosphaeridione-pleodendione-4-epi-000900nas a2200157 4500008004100000022001400041245005100055210005000106260011000156300001400266490000700280520032700287100002200614700002500636856008100661 2015 eng d a1477-052000aTotal synthesis of the natural product EBC-3290 aTotal synthesis of the natural product EBC329 aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcJUL a9485-94910 v133 a

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

1 aThombal, Raju, S.1 aJadhav, Vrushali, H. uhttps://library.ncl.res.in/content/total-synthesis-natural-product-ebc-329-001795nas a2200157 4500008004100000022001400041245009600055210006900151260011000220300001400330490000600344520112300350100001701473700002301490856012401513 2015 eng d a2044-475300aTunable acid-base bifunctional catalytic activity of FeOOH in an orthogonal tandem reaction0 aTunable acidbase bifunctional catalytic activity of FeOOH in an  aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcMAY a4029-40380 v53 a

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

1 aVernekar, D.1 aJagadeesan, Dinesh uhttps://library.ncl.res.in/content/tunable-acid-base-bifunctional-catalytic-activity-feooh-orthogonal-tandem-reaction-001538nas a2200265 4500008004100000022001400041245011300055210006900168260005700237300001400294490000700308520058700315653001800902653002600920653002500946653002200971100002100993700002201014700001901036700001901055700002101074700002501095700002701120856012501147 2015 eng d a0361-523500aTuning magnetic behavior of nanoscale cobalt sulfide and its nanocomposite with an engineering thermoplastic0 aTuning magnetic behavior of nanoscale cobalt sulfide and its nan a233 SPRING ST, NEW YORK, NY 10013 USAbSPRINGERcJUL a2308-23110 v443 a

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

10aNanocomposite10apolyphenylene sulfide10aSolid-solid reaction10asuperparamagnetic1 aRumale, Narendra1 aArbuj, Sudhir, S.1 aUmarji, Govind1 aShinde, Manish1 aMulik, Uttam, P.1 aJoy, Pattayil, Alias1 aAmalnerkar, Dinesh, P. uhttps://library.ncl.res.in/content/tuning-magnetic-behavior-nanoscale-cobalt-sulfide-and-its-nanocomposite-engineering-001267nas a2200217 4500008004100000022001400041245015600055210006900211260011000280300001600390490000600406520035600412100002400768700002500792700002300817700002100840700001800861700001900879700002300898856012800921 2015 eng d a2046-206900aUnprecedented ferrocene-quinoline conjugates: facile proton conduction via 1D helical water chains and a selective chemosensor for Zn(II) ions in water0 aUnprecedented ferrocenequinoline conjugates facile proton conduc aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcJAN a15690-156940 v53 a

Two novel ferrocene-quinoline derivatives 3 (C22H19O2N3Fe) and 4 (C34H28O4N6Fe) have been synthesized and structurally characterized. Compound 3 exhibits good proton conductivity through 1D helical water chains. In addition, both compounds 3 and 4 selectively detect Zn2+ ions in water with a detection limit of 2 ppb through multiple channels.

1 aPonniah, Joseph, S.1 aBarik, Subrat, Kumar1 aBorthakur, Rosmita1 aThakur, Arunabha1 aGarai, Bikash1 aJanaa, Sourita1 aGhosh, Sundargopal uhttps://library.ncl.res.in/content/unprecedented-ferrocene-quinoline-conjugates-facile-proton-conduction-1d-helical-water-000576nas a2200145 4500008004100000245009900041210006900140260000800209300001200217490000600229100001500235700002800250700002500278856012700303 2015 eng d00aWater-dispersible ascorbic-acid-coated magnetite nanoparticles for contrast enhancement in MRI0 aWaterdispersible ascorbicacidcoated magnetite nanoparticles for  cJAN a435-4410 v51 aSreeja, V.1 aJayaprabha, Kunnoth, N.1 aJoy, Pattayil, Alias uhttps://library.ncl.res.in/content/water-dispersible-ascorbic-acid-coated-magnetite-nanoparticles-contrast-enhancement-mri00940nas a2200181 4500008004100000245008000041210006900121260000800190300001600198490000700214520030700221100003000528700002400558700002400582700002000606700002500626856010700651 2015 eng d00aWell-defined palladium(II) complexes for ligand enabled C(sp3)-alkynylation0 aWelldefined palladiumII complexes for ligand enabled Csp3alkynyl cJUL a15382-153860 v443 a

The first example of ligand-enabled C(sp3)-alkynylation of 8-methylquinoline is reported. The reaction is catalysed by well-defined Pd(II) complexes. The present C(sp3)-alkynylation has a broad substrate scope as well as functional group tolerance and proceeds efficiently under mild conditions.

1 aLandge, Vinod, Gokulkrish1 aSahoo, Manoj, Kumar1 aMidya, Siba, Prasad1 aJaiswal, Garima1 aBalaraman, Ekambaram uhttps://library.ncl.res.in/content/well-defined-palladiumii-complexes-ligand-enabled-csp3-alkynylation04280nas a2200277 4500008004100000022001400041245018000055210006900235260007100304300001400375490000700389520321000396100002303606700003103629700001803660700001903678700002303697700001703720700002003737700001703757700001703774700003503791700002603826700002403852856012603876 2016 eng d a1528-748300aAdditive mediated syn-anti conformational tuning at nucleation to capture elusive polymorphs: remarkable role of extended pi-stacking interactions in driving the self-assembly0 aAdditive mediated synanti conformational tuning at nucleation to a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcAPR a2416-24280 v163 a

Understanding the process of prenucleation clustering at supersaturating stage is of significant importance to envisage the polymorphism in crystalline materials. Preferential formation of a thermodynamically stable crystal form suggests energetically favored patterns of interactions which control molecular aggregation during nucleation. Introduction of additives during crystallization is sometimes used as a suitable strategy to obtain metastable polymorphs in cases where it is not easy to capture the same by conventional crystallization methods. Comparative analysis of energy relationships and intermolecular interactions between thermodynamically stable and metastable crystal forms provides valuable clues about the nature of growth synthons at prenucleation clustering and preferential crystallization of the thermodynamic form. Conformationally flexible sulfonamide/sulfoester derivatives constituting electron rich and electron deficient aromatic rings were synthesized to study the interplay between pi-stacking and hydrogen bonding synthons. We have identified and characterized the thermodynamically stable and metastable elusive polymorphs of aromatic sulfonamides 1 and 2 and sulfoesters 3 and 4. However, these compounds eluded polymorphism during crystallisation from various common solvents/conditions and only produced thermodynamically stable crystals forms (form I crystals). Surprisingly, exploitation of pyrazinamide as an additive in different stoichiometric ratios during crystallization gave elusive polymorphs [three for 1 (form 1II, form 1III, and form 1IV) and one each for 2 (form 2II), 3 (form 3II), and 4 (form 4II)]. Molecules in stable crystal forms of these compounds are linked via extended chains of parallel displaced pi...pi stacking interactions that seem to play a vital role in driving the self-assembly of molecules and subsequently governing the nucleation process. In contrast, molecules in metastable polymorphs are devoid of such extended pi-stacking assemblies. Interestingly, differential scanning calorimetry, hot stage microscopy, and X-ray crystallographic studies confirmed the thermal crystal-to-crystal transition of all three metastable polymorphs of 1 (form 1II, form 1III, and form 1IV) to its thermodynamically stable crystal form (form 1I). Conformational analysis of molecule 1 using density functional theory calculations also validated higher stability for syn conformation (observed in Form 1I crystals) over anti and midway conformations (seen in metastable polymorphs). Melt crystallization of form 1I crystals of 1 on the larger face (001) of delta-pyrazinamide and lattice matching analysis (GRACE) revealed that the layered arrangement of molecules of delta-pyrazinamide (on 001 face) during heterogeneous nucleation acts as a template (heteroepitaxy) to provide a preferential site for the nucleation of new metastable polymorphs by selectively inhibiting the most preferred crystal form from growing into the nucleus. Solution state one- and two-dimensional (NOESY) H-1 NMR, scanning electron microscopy, and a Cambridge Structural Database survey were conducted to substantiate the role of additives during crystallization.

1 aGawade, Rupesh, L.1 aChakravarty, Debamitra, K.1 aKotmale, Amol1 aSangtani, Ekta1 aJoshi, Pranaya, V.1 aAhmed, Awais1 aMane, Manoj, V.1 aDas, Susanta1 aVanka, Kumar1 aRajamohanan, Pattuparambil, R.1 aPuranik, Vedavati, G.1 aGonnade, Rajesh, G. uhttps://library.ncl.res.in/content/additive-mediated-syn-anti-conformational-tuning-nucleation-capture-elusive-polymorphs01047nas a2200133 4500008004100000245005500041210005400096260001800150300001300168520060800181100002100789700001800810856008500828 2016 eng d00aAlkoxycarbonylation for fine chemicals: carbamates0 aAlkoxycarbonylation for fine chemicals carbamates bElsevier Inc. a 693-7193 aCarbamates are an important class of compounds having wide applications in pharmaceutical, polymer, and agriculture industry. A brief account of the history of carbamates, their synthesis, and applications in chemical industry is presented in this chapter. A section on synthesis of carbamates by catalytic methoxycarbonylation of amines is also included. Results of lead-catalyzed methoxycarbonylation of aniline to methyl- N-phenyl carbamate are presented as a model case study. The synthesis of several carbamates has been reported using dimethyl carbonate to illustrate the usefulness of the method.1 aDidgikar, M., R.1 aJoshi, S., S. uhttps://library.ncl.res.in/content/alkoxycarbonylation-fine-chemicals-carbamates01208nas a2200193 4500008004100000022001400041245012100055210006900176260011000245300001400355490000700369520038400376100002200760700002200782700003500804700001900839700002800858856012800886 2016 eng d a1359-734500aAngiotensin II analogs comprised of pro-amb (gamma-turn scaffold) as angiotensin II type 2 (AT(2)) receptor agonists0 aAngiotensin II analogs comprised of proamb gammaturn scaffold as aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcNOV a1645-16480 v523 a

We describe herein the design, synthesis and conformational investigation of Pro-Amb (proline-3-amino-2-methoxybenzoic acid) incorporated Angiotensin II and its truncated analogues. Solution-state NMR and CD studies suggest gamma-turn-like conformation in Pro-Amb analogs in aqueous solution. Furthermore, Pro-Amb analogs have been shown to act as AT(2) receptor agonists.

1 aJedhe, Ganesh, S.1 aKotmale, Amol, S.1 aRajamohanan, Pattuparambil, R.1 aPasha, Santosh1 aSanjayan, Gangadhar, J. uhttps://library.ncl.res.in/content/angiotensin-ii-analogs-comprised-pro-amb-gamma-turn-scaffold-angiotensin-ii-type-2-at2-001312nas a2200205 4500008004100000022001400041245016600055210006900221260000900290300001400299490000700313520054600320653001600866653001900882653001900901653001300920100002200933700002500955856012600980 2016 eng d a0040-403900aApplication of glucose derived magnetic solid acid for etherification of 5-HMF to 5-EMF, dehydration of sorbitol to isosorbide, and esterification of fatty acids0 aApplication of glucose derived magnetic solid acid for etherific cSEP  a4398-44000 v573 a

In this study, the catalytic activity of Glu-Fe3O4-SO3H was evaluated for three acid catalyzed reactions: etherification of 5-hydroxymethylfurfural (5-HMF) to 5-ethoxymethylfurfural (5-EMF) in ethanol, dehydration of sorbitol to isosorbide, and esterification of fatty acids with good yields and selectivity. Moreover, the catalyst can be easily separated from the reaction with an external magnetic force and reused at least five times without a significant decrease in catalytic activity. (C) 2016 Elsevier Ltd. All rights reserved.

10adehydration10aEsterification10aetherification10aMagnetic1 aThombal, Raju, S.1 aJadhav, Vrushali, H. uhttps://library.ncl.res.in/content/application-glucose-derived-magnetic-solid-acid-etherification-5-hmf-5-emf-dehydration02864nas a2200229 4500008004100000245010200041210006900143260000800212300001600220490000600236520208600242100001802328700001702346700001402363700001902377700002102396700002402417700002702441700002302468700001702491856012602508 2016 eng d00aBilayer cryogel wound dressing and skin regeneration grafts for the treatment of acute skinwounds0 aBilayer cryogel wound dressing and skin regeneration grafts for  cJUN a15145-151590 v83 aIn this study, the potential of cryogel bilayer wound dressing and skin regenerating graft for the treatment of surgically created full thickness wounds was evaluated. The top layer was composed of polyvinylpyrrolidone-iodine (PVP-I) and served as the antiseptic layer, while the bottom regenerative layer was made using gelatin cryogel. Both components of the bilayer showed typical features of a cryogel interconnected macropore network, rapid swelling, high water uptake capacity of about 90%. Both PVP and gelatin cryogel showed high tensile strength of 45 and 10 kPa, respectively. Gelatin cryogel sheets were essentially elastic and could be stretched without any visible deformation. The antiseptic PVP-I layer cryogel sheet showed sustained iodine release and suppressed microbial growth when tested with skin pathogens (zone of inhibition cm for sheet of 0.9 cm diameter). The gelatin cryogel sheet degraded in vitro in weeks. The gelatin cryogel sheet supported cell infiltration, attachment, and proliferation of fibroblasts and keratinocytes. Microparticles loaded with bioactive molecules (mannose-6-phosphate and human fibrinogen) were also incorporated in the gelatin cryogel sheets for their role in enhancing skin regeneration and scar free wound healing. In vivo evaluation of healing capacity of the bilayer cryogel was checked in rabbits by creating full thickness wound, defect (diameter 2 cm). Macroscopic and microscopic observation at regular time intervals for 4 weeks demonstrated better and faster skin regeneration in the wound treated with cryogel bilayer as compared to untreated defect and the repair was comparable to commercial skin regeneration scaffold Neuskin-F. Complete skin regeneration was observed after 4 weeks' of implantation with no sign of inflammatory response. Defects implanted with cryogel having mannose-6-phosphate showed no scar formation,, while the wound treated with bilayer incorporated with human fibrinogen microparticles showed early signs of skin regeneration; epidermis formation occurred at 2 weeks after implantation.1 aPriya, Geetha1 aGupta, Ankur1 aJain, Era1 aSarkar, Joyita1 aDamania, Apeksha1 aJagdale, Pankaj, R.1 aChaudhari, Bhushan, P.1 aGupta, Kailash, C.1 aKumar, Ashok uhttps://library.ncl.res.in/content/bilayer-cryogel-wound-dressing-and-skin-regeneration-grafts-treatment-acute-skinwounds02563nas a2200229 4500008004100000245012400041210006900165260000800234300001400242490000700256520177300263100002602036700001702062700001702079700001502096700001702111700001902128700001702147700002402164700001702188856012802205 2016 eng d00aBiosynthesis of anti-proliferative gold using endophytic fusarium oxysporum strain isolated from neem (A-indica) leaves0 aBiosynthesis of antiproliferative gold using endophytic fusarium cJAN a2036-20420 v163 a

Here we report a simple, rapid, environment friendly approach for the synthesis of gold nanoparticles using neem (Azadirachta indica A. Juss.) fungal endophyte, which based upon morphological and cultural characteristics was eventually identified as Fusarium oxysporum. The aqueous precursor (HAuCl4) solution when reacted with endophytic fungus resulted in the biosynthesis of abundant amounts of well dispersed gold nanoparticles of 10-40 nm with an average size of 22nm. These biosynthesized gold nanoparticles were then characterized by standard analytical techniques such as UV-Visible spectroscopy, X-ray diffraction, Transmission Electron Microscopy and Fourier Transform Infrared Spectroscopy. Cytotoxic activity of these nanoparticles was checked against three different cell types including breast cancer (ZR-75-1), Daudi (Human Burkitt's lymphoma cancer) and normal human peripheral blood mononuclear cells (PBMC), where it was found that our gold nanoparticles are anti-proliferative against cancer cells but completely safe toward normal cells. In addition to this, assessment of toxicity toward human RBC revealed less than 0.1 % hemolysis as compared to Triton X-100 suggesting safe nature of our biosynthesized gold nanoparticles on human cells. Also, our nanoparticles exhibited no anti-fungal (against Aspergillus niger) or anti-bacterial [against Gram positive (Bacillus subtilis & Staphylococcus aureus) and Gram negative (Escherichia coli & Pseudomonas aeruginosa) bacteria] activity thus suggesting their non-toxic, biocompatible nature. The present investigation opens up avenues for eco-friendly, biocompatible nanomaterials to be used in a wide variety of application such as drug delivery, therapeutics, theranostics and so on.

1 aSiddiqui, Ejaz, Ahmad1 aAhmad, Absar1 aJulius, Anju1 aSyed, Asad1 aKhan, Shadab1 aKharat, Mahesh1 aPai, Kalpana1 aKadoo, Narendra, Y.1 aGupta, Vidya uhttps://library.ncl.res.in/content/biosynthesis-anti-proliferative-gold-using-endophytic-fusarium-oxysporum-strain-isolated02122nas a2200193 4500008004100000245016100041210006900202260000800271300001000279490000700289520137600296100001501672700001801687700001501705700003301720700001901753700002601772856013001798 2016 eng d00aBuilding and analysis of protein-protein interactions related to diabetes mellitus using support vector machine, biomedical text mining and network analysis0 aBuilding and analysis of proteinprotein interactions related to  cDEC a37-440 v653 aIn order to understand the molecular mechanism underlying any disease, knowledge about the interacting proteins in the disease pathway is essential. The number of revealed protein-protein interactions (PPI) is still very limited compared to the available protein sequences of different organisms. Experiment based high-throughput technologies though provide some data about these interactions, those are often fairly noisy. Computational techniques for predicting protein protein interactions therefore assume significance. 1296 binary fingerprints that encode a combination of structural and geometric properties were developed using the crystallographic data of 15,000 protein complexes in the pdb server. In a case study, these fingerprints were created for proteins implicated in the Type 2 diabetes mellitus disease. The fingerprints were input into a SVM based model for discriminating disease proteins from non disease proteins yielding a classification accuracy of 78.2% (AUC value of 0.78) on an external data set composed of proteins retrieved via text mining of diabetes related literature. A PPI network was constructed and analysed to explore new disease targets. The integrated approach exemplified here has a potential for identifying disease related proteins, functional annotation and other proteomics studies. (C) 2016 Elsevier Ltd. All rights reserved.1 aVyas, Renu1 aBapat, Sanket1 aJain, Esha1 aKarthikeyan, Muthukumarasamy1 aTambe, Sanjeev1 aKulkarni, Bhaskar, D. uhttps://library.ncl.res.in/content/building-and-analysis-protein-protein-interactions-related-diabetes-mellitus-using-support02592nas a2200217 4500008004100000245015900041210006900200260000800269300001200277490000700289520180400296100001902100700001602119700001802135700001802153700001802171700001902189700001702208700001802225856013102243 2016 eng d00aCapsicum annuum proteinase inhibitor ingestion negatively impacts the growth of sorghum pest Chilo partellus and promotes differential protease expression0 aCapsicum annuum proteinase inhibitor ingestion negatively impact cDEC a302-3090 v783 aBackground Chilo partellus is an important insect pest infesting sorghum and maize. The larvae internalize in the stem, rendering difficulties in pest management. We investigated the effects of Capsicum annuum proteinase inhibitors (CanPIs) on C. partellus larvae by in-vitro and in-vivo experiments. Methods Recombinant CanPI-7 (with four-Inhibitory Repeat Domains, IRDs), -22 (two-IRDs) and insect proteinase activities were estimated by proteinase assays, dot blot assays and in gel activity assays. Feeding bioassays of lab reared C. partellus with CanPI-7 and -22 were performed. C. partellus proteinase gene expression was done by RT-PCR. In-silico structure prediction of proteinases and CanPI IRDs was carried out, their validation and molecular docking was done for estimating the interaction strength. Results Larval proteinases of C. partellus showed higher activity at alkaline pH and expressed few proteinase isoforms. Both CanPIs showed strong inhibition of C. partellus larval proteinases. Feeding bioassays of C. partellus with CanPIs revealed a dose dependent retardation of larval growth, reduction of pupal mass and fecundity, while larval and pupal periods increased significantly. Ingestion of CanPIs resulted in differential up-regulation of C. partellus proteinase isoforms, which were sensitive to CanPI-7 but were insensitive to CanPI-22. In-silico interaction studies indicated the strong interaction of IRD-9 (of CanPI-22) with Chilo proteinases tested. Conclusions Of the two PIs tested, CanPI-7 prevents induction of inhibitor insensitive proteinases in C. partellus so it can be explored for developing C. partellus tolerance in sorghum. General significance Ingestion of CanPIs, effectively retards C. partellus growth; while differentially regulating the proteinases.1 aJadhav, A., R.1 aWar, A., R.1 aNikam, A., N.1 aAdhav, A., S.1 aGupta, V., S.1 aSharma, H., C.1 aGiri, A., P.1 aTamhane, V.A. uhttps://library.ncl.res.in/content/capsicum-annuum-proteinase-inhibitor-ingestion-negatively-impacts-growth-sorghum-pest-chilo00936nas a2200133 4500008004100000245003800041210003800079260001800117300000900135520054800144100001900692700001800711856007300729 2016 eng d00aCatalysis and catalytic processes0 aCatalysis and catalytic processes bElsevier Inc. a1-143 aCatalytic reactions are ubiquitous in chemical and allied industries. A homogeneous or heterogeneous catalyst that provides an alternative route of reaction with lower activation energy and better control of selectivity can make a substantial impact on process viability and economics. In this chapter, the basics of catalysis and catalytic processes are introduced. Some aspects of reaction and reactor engineering required to realize catalytic processes in practice are also discussed. In addition, the organization of the book is outlined. 1 aRanade, V., V.1 aJoshi, S., S. uhttps://library.ncl.res.in/content/catalysis-and-catalytic-processes01354nas a2200145 4500008004100000245004700041210004700088260001800135300001200153520091000165100001801075700001801093700001901111856007801130 2016 eng d00aCatalysis for fine and specialty chemicals0 aCatalysis for fine and specialty chemicals bElsevier Inc. a317-3923 aThe fine and specialty chemical industry is extremely diverse, encompassing pharmaceuticals, dyestuffs, food additives, agrochemicals, polymer additives, flavors and fragrances, various chemical intermediates, etc. Fine and specialty chemicals have been around for more than 100 years and they are produced with the aim of either being used as is or in the form of additives/formulations. These organic chemicals are generally manufactured in batch or semibatch processes. Most of these generally involve multistep processes and often generate significant by-products/effluents per kg of useful products. Catalysis can be effectively used to reduce such waste generation and to minimize consumption of raw materials. In this chapter, we present various applications of homogeneous, as well as heterogeneous catalysis and catalytic processes, which are particularly relevant to fine and specialty chemicals1 aJoshi, S., S.1 aBhatnagar, A.1 aRanade, V., V. uhttps://library.ncl.res.in/content/catalysis-fine-and-specialty-chemicals00418nas a2200097 4500008004100000245007000041210006800111260002000179100002500199856009600224 2016 eng d00aCells and organs on chip - revolutionary platform for biomedicine0 aCells and organs on chip revolutionary platform for biomedicine aCroatiabIntech1 aJoshi, Preeti, Nigam uhttps://library.ncl.res.in/content/cells-and-organs-chip-revolutionary-platform-biomedicine02339nas a2200217 4500008004100000022001400041245011100055210006900166260008000235300000800315490000600323520151600329653001601845653001601861653002401877653002601901100001701927700002501944700002101969856013101990 2016 eng d a1866-751100aCharacteristics of precipitation pattern in the Arabian Peninsula and its variability associated with ENSO0 aCharacteristics of precipitation pattern in the Arabian Peninsul aTIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANYbSPRINGER HEIDELBERGcMAR a1860 v93 a

A detailed analysis of the precipitation pattern of the Arabian Peninsula and its temporal and spatial variability were investigated in connection with ENSO. Also, the variability of precipitable water and circulation characteristics was examined for a better understanding. The study was carried out utilizing TRMM rainfall, NOAA OLR, precipitable water, wind, and humidity data sets. It is evident that Northern Arabian Peninsula receives high amount of rainfall mainly during winter and early summer (November to April) in connection with the passage of mid tropospheric westerly troughs and Mediterranean low-pressure systems. But the precipitation pattern over the Southern Arabian Peninsula reveals that it is mainly during summer (May to October) due to the Arabian Sea branch of monsoon and moisture laden cross equatorial LLJ flow. Further, analysis was carried out to assess the influence of ENSO on the precipitation pattern. Thorough analysis was carried out on the circulation pattern using velocity potential in the lower troposphere to understand the features of variability on Hadley/Walker circulation in relation with organized convection. El Nino and La Nina have profound influence on the rainfall pattern in a different manner in the Northern and Southern Arabian Peninsula. Large-scale circulation pattern as derived from velocity potential indicates that shifting of the rising/sinking limb of Hadley/Walker circulation associated with the ENSO causes variability in precipitation.

10aArid region10aCirculation10aEl Nino and La Nina10aPrecipitation pattern1 aBabu, C., A.1 aJayakrishnan, P., R.1 aVarikoden, Hamza uhttps://library.ncl.res.in/content/characteristics-precipitation-pattern-arabian-peninsula-and-its-variability-associated-enso01904nas a2200289 4500008004100000022001400041245012400055210006900179260007300248300001000321490000800331520090700339653000901246653001501255653001901270653002101289653002001310100001401330700002001344700001801364700001801382700001701400700002001417700002901437700001901466856012901485 2016 eng d a0926-860X00aChromium free high temperature water-gas shift catalyst for the production of hydrogen from waste derived synthesis gas0 aChromium free high temperature watergas shift catalyst for the p aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcJUL a21-310 v5223 a

A comparative study between monometallic (Me-CeO2, Me =Zn, Cu, Fe and Co) and Ni-doped bimetallic (Me-Ni-CeO2) catalysts has been performed in the high temperature water-gas shift (HT-WGS) reaction using waste derived synthesis gas. Experimental results revealed that Me-Ni-CeO2 exhibited higher catalytic performance than simple Me-CeO2 catalysts. Within the Me-Ni-CeO2 series, Co-Ni-CeO2 exhibited excellent and stable catalytic performance (CO conversion > 90%) at a very high GHSV of 143,000 h(-1). The existence of high" concentration of Ce3+ ions and oxygen vacancies on the catalyst surface were responsible for the increased WGS activity of Co-Ni-CeO2. In addition, Co-Ni-CeO2 maintains a stable performance for 50 h. However, commercial Fe2O3-Cr2O3 catalyst showed a steep decline from their initial CO conversion values 15-10% within 5 h. (C) 2016 Elsevier B.V. All rights reserved.

10aCeO210aCo-Ni-CeO210aLattice strain10aoxygen vacancies10aWater-gas shift1 aJha, Ajay1 aJeong, Dae-Woon1 aLee, Yeol-Lim1 aJang, Won-Jun1 aShim, Jae-Oh1 aJeon, Kyung-Won1 aRode, Chandrashekhar, V.1 aRoh, Hyun-Seog uhttps://library.ncl.res.in/content/chromium-free-high-temperature-water-gas-shift-catalyst-production-hydrogen-waste-derived01699nas a2200253 4500008004100000245009000041210006900131260000800200300001000208490000800218520083300226100002801059700003001087700002501117700002001142700002001162700003001182700001601212700003701228700001801265700002401283700002101307856011701328 2016 eng d00a"Click" polymerization: a convenient strategy to prepare designer fullerene materials0 aClick polymerization a convenient strategy to prepare designer f cOCT a34-410 v1083 a"Click" polymeric assemblies of fullerenes, thiophenes and aryl compounds were prepared for the first time to study their spectroscopic/chemical/electronic characteristics and possible applications in photovoltaic cells. The GPC and NMR spectroscopic data confirmed a moderate to high degree of polymerization while microscopic pictures showed well-defined arrangements of fullerenes. The FTIR studies indicated that the product is free from starting azide materials, whereas thermogravimetric analysis data suggested a good stability. Band gap of the material was determined using UV-Vis spectroscopy, cyclic voltammetric techniques and compared with computational investigation. The fullerene copolymer was fabricated as acceptor material in a bulk heterojunction photovoltaic cell. (C) 2016 Elsevier Ltd. All rights reserved.1 aKrishnamurthy, Munusamy1 aKrishnamoorthy, Kothandam1 aArulkashmir, Arulraj1 aRaghavendra, V.1 aMurali, Adhigan1 aJaisankar, Sellamuthu, N.1 aMurugan, P.1 aGurusamy-Thangavelu, Senthil, A.1 aNasar, Sultan1 aMandal, Asit, Baran1 aSamanta, Debasis uhttps://library.ncl.res.in/content/click-polymerization-convenient-strategy-prepare-designer-fullerene-materials00978nas a2200157 4500008004100000245008100041210007100122260000800193300001400201490000700215520040800222100003000630700002000660700002500680856011500705 2016 eng d00aCobalt-catalyzed bis-alkynylation of amides via double C–H bond activation0 aCobaltcatalyzed bisalkynylation of amides via double C–H bond ac cFEB a812–8150 v183 a

The first example of cobalt-catalyzed selective bis-alkynylation of amides via double C–H bond activation with the directing assistance of a removable bidentate auxiliary is reported. The developed alkynylation strategy is simple, efficient, and tolerant of various functional groups including ether, amine, halides, and heterocyclic motifs. The reaction can be scaled up under mild conditions.

1 aLandge, Vinod, Gokulkrish1 aJaiswal, Garima1 aBalaraman, Ekambaram uhttps://library.ncl.res.in/content/cobalt-catalyzed-bis-alkynylation-amides-double-c%E2%80%93h-bond-activation02690nas a2200253 4500008004100000245013700041210006900178260000800247300001400255490000900269520176500278100001602043700002902059700002502088700002402113700002202137700002202159700002602181700002402207700002202231700003702253700002002290856012602310 2016 eng d00aComparative functional characterization of eugenol synthase from four different ocimum species: implications on eugenol accumulation0 aComparative functional characterization of eugenol synthase from cNOV a1539-15470 v18643 a

Isoprenoids and phenylpropanoids are the major secondary metabolite constituents in Ocimum genus. Though enzymes from phenylpropanoid pathway have been characterized from few plants, limited information exists on how they modulate levels of secondary metabolites. Here, we performed phenylpropanoid profiling in different tissues from five Ocimum species, which revealed significant variations in secondary metabolites including eugenol, eugenol methyl ether, estragole and methyl cinnamate levels. Expression analysis of eugenol synthase (EGS) gene showed higher transcript levels especially in young leaves and inflorescence; and were positively correlated with eugenol contents. Additionally, transcript levels of coniferyl alcohol acyl transferase, a key enzyme diverting pool of substrate to phenylpropanoids, were in accordance with their abundance in respective species. In particular, eugenol methyl transferase expression positively correlated with higher levels of eugenol methyl ether in Ocimum tenuiflorum. Further, EGSs were functionally characterized from four Ocimum species varying in their eugenol contents. Kinetic and expression analyses indicated, higher enzyme turnover and transcripts levels, in species accumulating more eugenol. Moreover, biochemical and bioinformatics studies demonstrated that coniferyl acetate was the preferred substrate over coumaryl acetate when used, individually or together, in the enzyme assay. Overall, this study revealed the preliminary evidence for varied accumulation of eugenol and its abundance over chavicol in these Ocimum species. Current findings could potentially provide novel insights for metabolic modulations in medicinal and aromatic plants. (C) 2016 Elsevier B.V. All rights reserved.

1 aAnand, Atul1 aJayaramaiah, Ramesha, H.1 aBeedkar, Supriya, D.1 aSingh, Priyanka, A.1 aJoshi, Rakesh, S.1 aMulani, Fayaj, A.1 aDholakia, Bhushan, B.1 aPunekar, Sachin, A.1 aGade, Wasudeo, N.1 aThulasiram, Hirekodathakallu, V.1 aGiri, Ashok, P. uhttps://library.ncl.res.in/content/comparative-functional-characterization-eugenol-synthase-four-different-ocimum-species01833nas a2200157 4500008004100000022001400041245011700055210006900172260011000241300001400351490000700365520113800372100001701510700001601527856013201543 2016 eng d a1463-907600aConcentration-dependent apparent partition coefficients of ionic liquids possessing ethyl-and bi-sulphate anions0 aConcentrationdependent apparent partition coefficients of ionic  aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcJAN a1105-11130 v183 a

This study deals with the concentration dependent apparent partition coefficients log P of the ethyl and bisulfate-based ionic liquids. It is observed that the bisulfate-based ionic liquids show different behaviour with respect to concentration as compared to ethyl sulphate-based ionic liquids. It is significant and useful analysis for the further implementation of alkyl sulfate based ionic liquids as solvents in extraction processes. The log P values of the ethyl sulphate-based ionic liquids were noted to vary linearly with the concentration of the ionic liquid, whereas a flip-flop trend with the concentration for the log P values of the bisulphate-based ionic liquids was observed due to the difference in hydrogen bond accepting basicity and possibility of aggregate formation of these anions. The pi-pi interactions between the imidazolium and pyridinium rings were seen to affect the log P values. The alkyl chain length of anions was also observed to influence the log P values. The hydrophobicity of ionic liquid changes with the alkyl chain in the anion in the order; [HSO4](-) < [EtSO4](-) < [BuSO4](-).

1 aJain, Preeti1 aKumar, Anil uhttps://library.ncl.res.in/content/concentration-dependent-apparent-partition-coefficients-ionic-liquids-possessing-ethyl-and-100624nas a2200157 4500008004100000245010600041210007000147260000800217300001600225490000700241100001900248700001900267700002500286700002600311856012900337 2016 eng d00aConformational features of the Aβ42 peptide monomer and its interaction with the surrounding solvent0 aConformational features of the Aβ42 peptide monomer and its inte cOCT a30144-301590 v181 aKhatua, Prabir1 aJose, Jaya, C.1 aSengupta, Neelanjana1 aBandyopadhyay, Sanjoy uhttps://library.ncl.res.in/content/conformational-features-a%CE%B242-peptide-monomer-and-its-interaction-surrounding-solvent01491nas a2200169 4500008004100000245009900041210007100140260000800211300001600219490000700235520085000242100002201092700002201114700002201136700002301158856014001181 2016 eng d00aContinuous flow doebner–miller reaction and isolation using continuous stirred tank reactors0 aContinuous flow doebner–miller reaction and isolation using cont cAUG a1621–16250 v203 a

Continuous flow Doebner–Miller synthesis of different quinaldines from respective anilines is demonstrated using sulfuric acid as a homogeneous catalyst. The extent of reaction was monitored for various parameters, namely, temperature, residence time, mole ratio of sulfuric acid to substrate, mole ratio of crotonaldehyde to substrate, and so forth. Continuous stirred reactors in series were used as a preferred configuration for this rection that generates byproduct in the form of sticky solid material. The approach has been extended for six different anilines, and the results are compared with batch reactions. Continuous stirred reactors in series with distributed dosing of crotonaldehyde facilitated a continuous flow reaction with lower byproduct formation, increased yields, and continuous workup and is a scalable approach.

1 aYadav, Maruti, B.1 aKulkarni, Sourabh1 aJoshi, Ramesh, A.1 aKulkarni, Amol, A. uhttps://library.ncl.res.in/content/continuous-flow-doebner%E2%80%93miller-reaction-and-isolation-using-continuous-stirred-tank-reactors02744nas a2200241 4500008004100000022001400041245015300055210006900208260007300277300001200350490000800362520179300370653002802163653003602191653001602227653003702243100001702280700002102297700002002318700001802338700001802356856012802374 2016 eng d a0926-860X00aCorrelating the role of hydrophilic/hydrophobic nature of Rh(I) and Ru(II) supported organosilica/silica catalysts in organotransformation reactions0 aCorrelating the role of hydrophilichydrophobic nature of RhI and aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcMAR a138-1460 v5133 a

Highly reactive and hydrophobic triphenyl phosphine based rhodium(I) and ruthenium(II) organometallic complexes over benzene containing periodic mesoporous organosilica (PMOB) have been synthesized. This has been achieved by the immobilization of neat metal complexes like RhCl(PPh3)(3) [Wilkinson catalyst], RuHCl(CO)(PPh3)(3) and RuCl2(PPh3)(3) over aminofunctionalized PMOB to get RhCl(PPh3)(2)-PrNH2PMOB, RuHCl(CO)(PPh3)(2)-PrNH2PMOB and RuCl2(PPh3)(3)-PrNH2PMOB, respectively. The physico-chemical properties of the functionalized catalysts were analyzed by elemental analysis, ICP-OES, XRD, N-2 sorption analyses, FT-IR, solid state C-13 and Si-29 NMR spectra, XPS, SEM, TEM and contact angle measurements. The XRD and N-2 sorption analyses showed excellent textural properties with ordered mesoporous channel structure of all synthesized catalysts. The organic moieties anchored in PMOB were confirmed by C-13 CPMAS NMR and Fr-IR spectroscopy with Si-29 CPMAS NMR spectroscopy providing the information about the degree of functionalization of surface silanol groups with organic moiety. The Rh(I) and Ru(II) complexes supported on MCM-41/SBA-15/PMOE (ethane-PMO) were synthesized, and their catalytic activities in hydrogenation and sulfoxidation reactions were compared with Rh(I) and Ru(II) complexes supported on PMOB. The results show that PMOB based catalysts exhibit higher activities and selectivities than MCM-41/SBA-15/PMOB supported catalysts, neat homogeneous complexes and without catalyst. The better catalytic performance of PMOB based catalyst is attributed to the hydrophobic nature and high surface area of the PMOB support. The recycling studies of anchored catalysts show no major deactivation of the catalyst. (C) 2015 Elsevier B.V. All rights reserved.

10aHeterogeneous catalysts10aHydrogenation and sulfoxidation10aHydrophobic10aPeriodic mesoporous organosilica1 aLazar, Anish1 aGeorge, Shoy, C.1 aJithesh, P., R.1 aVinod, C., P.1 aSingh, A., P. uhttps://library.ncl.res.in/content/correlating-role-hydrophilichydrophobic-nature-rhi-and-ruii-supported-organosilicasilica02893nas a2200241 4500008004100000022001400041245015700055210006900212260009400281300001200375490000700387520187800394653004302272653002802315653003202343653002302375653002802398100002402426700002202450700002302472700002502495856013102520 2016 eng d a1741-599300aCrystal structure, computational studies, and stereoselectivity in the synthesis of 2-aryl-thiazolidine-4-carboxylic acids via insitu imine intermediate0 aCrystal structure computational studies and stereoselectivity in a2-4 PARK SQUARE, MILTON PARK, ABINGDON OR14 4RN, OXON, ENGLANDbTAYLOR & FRANCIS LTDcMAR a401-4250 v373 a

This article presents the synthesis of (2R/2S,4R)-2-aryl-thiazolidine-4-carboxylic acids via nucleophilic addition of L-Cysteine on aromatic aldehydes involving a yield and time-effective room temperature reaction in an aqueous DMSO medium in the presence of NaHCO3 as a base. The synthesized diastereomers were spectroscopically characterized and quantified for diastereomeric excess by liquid chromatography-mass spectrometry analysis. The impact of the type and position of substituent in aromatic aldehydes on reaction time, % yield, H-1 NMR shift at newly formed chiral center [C(2)-H], and diastereomeric excess (de%) have been investigated. A plausible mechanism for stereoselectivity via an in situ imine intermediate is proposed using real-time IR monitoring of the synthetic reaction based on the significant signals at 1597, 1593cm(-1) for imine (C=N) stretching. The imine mechanism for stereoselectivity was further supported by NMR studies of azomethine C-13 NMR signals at 159, 160ppm and by the single crystal structure of hitherto unknown (2S,4R)-3-(tert-butoxycarbonyl)-2-(2-hydroxyphenyl)thiazolidine-4-carbox ylic acid (3a) obtained as a major diastereomer in the synthesis of the butyloxy carbonyl (BOC) derivative of (2R/2S,4R)-2-(2-hydroxyphenyl)thiazolidine-4-carboxylic acid. The significant ortho-OH effect of phenolic hydroxyl group leading to strong hydrogen bondings plays a vital role in the formation of 2S,4R BOC derivative stereoselectively. The frontier molecular orbitals, possible electronic excitations, IR band characterizations, and reactivity parameters of newly reported compound (3a) have been predicted using quantum chemical descriptors from density functional theory. The theoretical exploration of experimental spectra using time-dependent DFT indicated a (-*) transition between HOMO and LUMO in the ultraviolet region.

10a2-aryl-thiazolidine-4-carboxylic acids10adensity function theory10afrontier molecular orbitals10aimine intermediate10aX-ray crystal structure1 aJagtap, Rohidas, M.1 aRizvi, Masood, A.1 aDangat, Yuvraj, B.1 aPardeshi, Satish, K. uhttps://library.ncl.res.in/content/crystal-structure-computational-studies-and-stereoselectivity-synthesis-2-aryl-thiazolidine01660nas a2200181 4500008004100000245012400041210006900165260000800234300001400242490000700256520096700263100002401230700002801254700002201282700002301304700002101327856013001348 2016 eng d00aDesign, synthesis, and biological evaluation of novel fluorinated pyrazole encompassing pyridyl 1,3,4-oxadiazole motifs0 aDesign synthesis and biological evaluation of novel fluorinated  cNOV a2698-27170 v253 aA rational approach was adopted for the synthesis of 1-(2-(3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl)-5-(pyridin-4-yl)-1,3,4-oxadiazol-3(2H)-yl)-3-(aryl)prop-2-en-1-ones (5a-n) using conventional heating as well as microwave irradiation techniques. Compounds 5a-n were tested for their in vitro antimicrobial activity and cytotoxicity. Compounds 5g showed most potent antibacterial activity, while compound 5k emerged as the most effective antifungal agent. The most active compounds 5f, 5g, 5l, and 5m were also screened against methicillin-resistant Staphylococcus aureus. Among these compounds, 5g and 5m inhibited the growth against MRSA at low level of cytotoxicity. A binary quantitative structure-activity relationship based recursive partitioning model was developed to probe the physico-chemical properties influencing the structure-activity relationship for this class of molecules, which was used to correctly classify active and inactive compounds.1 aDesai, Nisheeth, C.1 aKotadiya, Ghanshyam, M.1 aTrivedi, Amit, R.1 aKhedkar, Vijay, M.1 aJha, Prakash, C. uhttps://library.ncl.res.in/content/design-synthesis-and-biological-evaluation-novel-fluorinated-pyrazole-encompassing-pyridyl03075nas a2200265 4500008004100000022001400041245008500055210006900140260009200209300001200301490000700313520211500320653001902435653002602454653003002480653002202510653002802532653003002560653001602590100001702606700002602623700001702649700002702666856011602693 2016 eng d a0892-702200aDFT based assay for tailor-made terpyridine ligand-metal complexation properties0 aDFT based assay for tailormade terpyridine ligandmetal complexat a4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLANDbTAYLOR & FRANCIS LTDcMAY a618-6270 v423 a

Electron-rich terpyridine ligand and its metal complexes have a potential to grow as responsive surfaces by adapting their physicochemical properties as a function of environment. The responsiveness is brought about by judicious molecular level designing that is currently hindered due to lack of information and control on terpyridine (TPy)-metal (M) interactions at single molecule level. So far there is no organised understanding on the binding of different metals with TPy ligand and ways to modulate it. Being a large conjugated [GRAPHICS] system, TPy has a large scope to be functionalised with electron exchanging groups to alter its electronic structure and consequently its binding with metal atoms. In first report of such a kind, using density functional theory (DFT), we demonstrate that convenient modulation of TPy-M binding is possible through functionalisation of TPy for [GRAPHICS] , Ru, Fe, Mo and Au. Electron donating groups viz., CH [GRAPHICS] , OCH [GRAPHICS] , C [GRAPHICS] H [GRAPHICS] , NH [GRAPHICS] and electron withdrawing groups viz., CF [GRAPHICS] , COOH, CN and NO [GRAPHICS] are considered for functionalisation of TPy ligand. Significantly, the present work focuses on the functionalisation at 4 and 4 [GRAPHICS] positions of TPy molecule. The role of such a functionalisation in influencing the ligands structure-property correlation is missing in the literature to the best of our knowledge. The present investigation quantifies that by pertinent functionalisation of TPy, TPy-M binding energies can be modified up to [GRAPHICS] 60kcal/mol. Our results reveal that functionalisation leads to a considerable charge redistribution within the TPy-M complex with carbon atoms in pyridine rings functioning as major electron sink/source with a corresponding red/blue shift of [GRAPHICS] stretching frequency. This modifies the red-ox, optical and other chemical properties of TPy-M complexes. In brief, the present report illustrates a way to design ligands such as TPy for diverse applications through tailor-made functionalisation using electronic structure methodology.

10aBinding energy10acharge redistribution10aDensity functional theory10afunctionalisation10aMetal organic complexes10ametal-ligand interactions10aterpyridine1 aJoshi, Krati1 aKrishnamurty, Sailaja1 aSingh, Iksha1 aSelvaraj, Kaliaperumal uhttps://library.ncl.res.in/content/dft-based-assay-tailor-made-terpyridine-ligand-metal-complexation-properties02342nas a2200265 4500008004100000022001400041245016300055210006900218260012700287300001200414490000700426520130200433653001301735653001301748653001701761653001401778653001101792653001901803100002601822700002501848700002301873700002501896700002501921856013001946 2016 eng d a1138-754800aDietary flaxseed oil and fish oil ameliorates renal oxidative stress, protein glycation, and inflammation in streptozotocin-nicotinamide-induced diabetic rats0 aDietary flaxseed oil and fish oil ameliorates renal oxidative st aCAMPUS UNIV, CARRETERA DEL SADAR S-N, APARTADO 177, 31080 PAMPLONA, SPAINbSERVICIO PUBLICACIONES UNIVERSIDAD NAVARRAcJUN a327-3360 v723 a

Protective and prophylactic effects of omega-3 fatty acids on oxidative stress and inflammation are well known. We assessed beneficial effects of flaxseed oil and fish oil on streptozotocin (65 mg/kg; i.p.)-nicotinamide (110 mg/kg; i.p.) induced diabetic rats by studying renal expression of antioxidant and inflammatory genes. Diabetic rats given 10 % flaxseed oil or 10 % fish oil diet for 35 days showed significant decrease in renal lipid peroxidation. Flaxseed oil diet resulted in up-regulation of renal superoxide dismutase-1 (SOD-1) (activity and expression) and glutathione peroxidase-1 (GPx-1) expression. Furthermore, both diets up-regulated catalase (CAT) (activity and expression) and down-regulated heme oxygenase-1 (HO-1) expression. Both diets were able to limit the renal advanced glycation end products (AGEs) formation and reduced receptor of AGE (RAGE) protein expression significantly. Expressions of interleukin-6 (IL-6) and NF-kappa B p65 subunit were down-regulated significantly by flaxseed oil or fish oil diet. The histological tubular injuries were also lowered by both diets. These results suggest that dietary omega-3 fatty acids may slow the progression of diabetic nephropathy (DN) associated with oxidative stress, glycation, and inflammation in the kidney.

10aDiabetes10aFish oil10aFlaxseed oil10aGlycation10aKidney10aStreptozotocin1 aJangale, Nivedita, M.1 aDevarshi, Prasad, P.1 aBansode, Sneha, B.1 aKulkarni, Mahesh, J.1 aHarsulkar, Abhay, M. uhttps://library.ncl.res.in/content/dietary-flaxseed-oil-and-fish-oil-ameliorates-renal-oxidative-stress-protein-glycation-and02039nas a2200265 4500008004100000022001400041245013000055210006900185260007100254300001600325490000600341520103000347653001901377653003001396653001801426653002101444653001901465653003701484100002601521700002301547700002001570700002301590700002901613856013101642 2016 eng d a1944-824400aEarth abundant iron-rich N-doped graphene based spacer and cavity materials for surface plasmon-coupled emission enhancements0 aEarth abundant ironrich Ndoped graphene based spacer and cavity  a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcMAY a12324-123290 v83 a

We demonstrate for the first time the use of Fe based nanoparticles on N-doped graphene as spacer and cavity materials and study their plasmonic effect on the spontaneous emission of a radiating dipole. Fe-C-MF was produced by pyrolizing FeOOH and melamine formaldehyde precursor on graphene, while Fe-C-PH was produced by pyrolizing the Fe-phenanthroline complex on graphene. The use of the Fe-C-MF composite consisting of Fe-rich crystalline phases supported on N-doped graphene presented a spacer material with 116-fold fluorescence enhancements. On the other hand, the Fe-C-PH/Ag based cavity resulted in an 82-fold enhancement in Surface Plasmon-Coupled Emission (SPCE), with high directionality and polarization of Rhodamine 6G (Rh6G) emission owing to Casimir and Purcell effects. The use of a mobile phone as a cost-effective fluorescence detection device in the present work opens up a flexible perspective for the study of different nanomaterials as tunable substrates in cavity mode and spacer applications.

10aCasimir effect10afluorescence enhancements10airon carbides10aN-doped graphene10aPurcell factor10asurface plasmon-coupled emission1 aSrinivasan, Venkatesh1 aVernekar, Dnyanesh1 aJaiswal, Garima1 aJagadeesan, Dinesh1 aRamamurthy, Sai, Sathish uhttps://library.ncl.res.in/content/earth-abundant-iron-rich-n-doped-graphene-based-spacer-and-cavity-materials-surface-plasmon02178nas a2200229 4500008004100000022001400041245016100055210006900216260009200285300001200377490000700389520125400396653002201650653002001672653002301692653002601715100001801741700002001759700002401779700002101803856012401824 2016 eng d a1936-661200aEffect of different temperature on structural, magnetic and dielectric properties of strontium hexaferrite powder synthesised using aloe vera plant extracts0 aEffect of different temperature on structural magnetic and diele a26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USAbAMER SCIENTIFIC PUBLISHERScAPR a869-8750 v223 a

M-type SrFe12O19 hexaferrite particles synthesized using the aloe vera plant extract. Biological materials of microorganisms, plants, enzymes have been suggested as an ecological alternative for conventional reagents in physical and chemical methods. In present paper we report effect of temperature on structural, morphology, magnetic and dielectric properties of M-type SrFe12O19 particles synthesised by Green synthesis technique using Aloe vera plant extract. The metal nitrates (Sr and Fe) were dissolved in aloe vera extract solution and then mixture was kept in oil bath at 100 degrees C till it become dry. The obtain dried powder calcined in a wide temperature range, from 450 degrees C to 1150 degrees C for 4 hours in a static air atmosphere. The calcined powders were characterised using various instrumental techniques like Fourier transform infrared spectroscopy (FTIR) X-ray diffractometry (XRD), Scanning electron microscopy (SEM), energy dispersive X-ray spectroscopy (EDX), Vibrating Sample Magnetometry (VSM), and dielectric measurements. XRD, FTIR, SEM, Magnetic and dielectric measurements were carried out at room temperature. XRD analysis confirms the formation of mono phase of strontium hexaferrite at 1150 degrees C.

10aAloe Vera Extract10agreen synthesis10aM-Type Hexaferrite10aStrontium Hexaferrite1 aSolanki, Neha1 aJotania, R., B.1 aKhomane, Ramdas, B.1 aKulkarni, B., D. uhttps://library.ncl.res.in/content/effect-different-temperature-structural-magnetic-and-dielectric-properties-strontium02053nas a2200193 4500008004100000245010100041210006900142260000800211300001400219490000700233520136200240100002001602700001801622700002001640700002101660700002301681700002801704856012701732 2016 eng d00aEffect of mixed acid catalysis on pretreatment and enzymatic digestibility of sugar cane bagasse0 aEffect of mixed acid catalysis on pretreatment and enzymatic dig cSEP a7310-73180 v303 aAqueous pretreatment using homogeneous acid catalyst is considered as a low-cost technology in the production of lignocellulosic bioethanol. To establish the synergism of mixed acids, pilot-level aqueous pretreatments of bagasse covering a wide range of combined severity (CS) were carried out. To investigate the effect of application of mixture of acids on xylose hydrolysis as well as glucose hydrolysis via pretreatment and enzymatic hydrolysis, the following three combinations of acids were explored: (1) oxalic acid + sulfuric acid (organic + mineral acid), (2) phosphoric + sulfuric acid (mineral acids), and (3) ferric chloride + sulfuric acid (Lewis acid with a mineral acid). Of the pretreatments evaluated, the synergism was most pronounced for the combination of sulfuric and phosphoric acid, which resulted in more than 90% conversion of hemicellulose to xylose and 70% conversion of cellulose to glucose through enzymatic hydrolysis. Fourier transform infrared (FTIR) studies of pretreated samples showed higher syringyl/guaiacyl (S/G) ratio for sulfuric and phosphoric acid combination pretreatment, leading to higher enzymatic conversion. FTIR and dynamic light scattering (DLS) experiments conducted on pretreated sugar cane bagasse provided useful correlation with regard to the pretreatment type, particle size, and enzymatic hydrolysis.1 aPal, Siddhartha1 aJoy, Shereena1 aKumbhar, Pramod1 aTrimukhe, K., D.1 aVarma, Anjanikumar1 aPadmanabhan, Sasisanker uhttps://library.ncl.res.in/content/effect-mixed-acid-catalysis-pretreatment-and-enzymatic-digestibility-sugar-cane-bagasse01766nas a2200217 4500008004100000022001400041245015400055210006900209260011000278300001600388490000600404520084700410100002201257700002201279700002501301700002401326700002401350700002601374700002401400856012401424 2016 eng d a2046-206900aEffect of plasma treatment on multilayer graphene: X-ray photoelectron spectroscopy, surface morphology investigations and work function measurements0 aEffect of plasma treatment on multilayer graphene Xray photoelec aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcMAY a48843-488500 v63 a

We report here the effect of plasma treatment on multilayer graphene samples as determined by X-ray photoelectron spectroscopy and surface morphology studies with atomic force microscopy, scanning electron microscopy and transmission electron microscopy. The plasma treatment was modified to introduce controlled levels of defects and functionalities to the graphene samples to give tunable properties. The elemental composition and structure were investigated by XPS and micro Raman spectroscopy. The XPS study showed that there was a slight variation in the sp(2)/sp(3) hybridization ratio between the plasma-treated samples and the pristine sample. Kelvin probe measurements were carried out on all the multilayer graphene samples and indicated a slight variation in the work function of the graphene samples after plasma treatment.

1 aPatil, Urmila, V.1 aPawbake, Amit, S.1 aMachuno, Luis, G. B.1 aGelamo, Rogerio, V.1 aJadkar, Sandesh, R.1 aRout, Chandra, Sekhar1 aLate, Dattatray, J. uhttps://library.ncl.res.in/content/effect-plasma-treatment-multilayer-graphene-x-ray-photoelectron-spectroscopy-surface02701nas a2200253 4500008004100000022001400041245011900055210006900174260009300243300001200336490000700348520178100355100001602136700001502152700002202167700001902189700001902208700001802227700001402245700001702259700002302276700002102299856012702320 2016 eng d a0930-777X00aEffect of plug temperature on the strain and thickness distribution ofcomponents made by plug assist thermoforming0 aEffect of plug temperature on the strain and thickness distribut aKOLBERGERSTRASSE 22, POSTFACH 86 04 20, D-81679 MUNICH, GERMANYbCARL HANSER VERLAGcMAY a166-1780 v313 a

Plug temperature is a key parameter affecting the thickness distribution of thermoplastic components made by plug assist thermoforming. For a specified pair of plug and plastic sheet, the variation in plug temperature can alter the coefficient of friction (COF) between the pair. We show here how the temperature dependence of COF influences the nature and extent of biaxial stretching of the sheet and consequently the thickness distribution of the thermoformed component. In the present study, high impact polystyrene (HIPS) sheets were thermoformed into axisymmetric cups using a plug-assist process in which the aluminum plug temperature (T-plug) was varied from ambient to above the glass transition temperature of HIPS (similar to 100 degrees C). Biaxial strain maps on the surfaces of the formed cups were measured and quantified using Grid Strain Analysis (GSA). Thickness distributions of the cups were also measured. Temperature dependent COF between HIPS and aluminum was determined independently using a rotational rheometer. The measured COF was low for T < 100 degrees C, whereas it increased appreciably at and above 100 degrees C. We conclude that when T-plug < 100 degrees C the HIPS sheet slips on the plug during forming, and this results in biaxial stretching of the base and walls of the formed cup. In contrast for T-plug > 100 degrees C, a significant reduction in the magnitude of slip is expected. Here the sheet is gripped at the clamp and by the plug during forming which causes reduced biaxial stretching of the base and increased uniaxial stretching of the walls of the cup. Simulations of plug-assist thermoforming using a temperature dependent COF showed qualitative agreement with the GSA data thereby supporting our inferences.

1 aMarathe, D.1 aRokade, D.1 aAzad, Lal, Busher1 aJadhav, Kishor1 aMahajan, Sunil1 aAhmad, Zubair1 aGupta, S.1 aKulkarni, S.1 aJuvekar, Vinay, A.1 aLele, Ashish, K. uhttps://library.ncl.res.in/content/effect-plug-temperature-strain-and-thickness-distribution-ofcomponents-made-plug-assist01627nas a2200229 4500008004100000020002200041022001400063245012100077210006900198260008800267300001100355490000900366520076100375100002301136700001801159700002201177700002001199700001801219700001701237700001501254856012801269 2016 eng d a978-0-7354-1375-7 a0094-243X00aEffect of sintering temperature and vinca petals extract on structural and magnetic properties of delafossite CuFeO20 aEffect of sintering temperature and vinca petals extract on stru a2 Huntington Quadrangle, STE 1NO1, Melville, NY 11747-4501 USAbGovt Engn CollcMAY a0200740 v17283 a

Delathssite CuFeO2, multi ferroic powder was synthesized using Sol-Gel auto combustion method. Influence of vinea flower petals extract on structural and magnetic properly of CuFeO2 were investigated. X-ray analysis of normal samples (synthesized without presence of vinca petals extract) shows formation of hematite and ferrite phases while the sample synthesized in presence of vinca petals extract show only mono phase. The absorption bands in FTIR spectra present between 510-460 cm(-1)in both the samples are due to stretching of Fe-O vibrations. VSM analysis shows that the squareness ratio (Mr/Ms) of the sample prepared using vinca petals extract obtains value of squareness ratio <0.5, which attributes multi domain formation of samples.

1 aDhruv, Preksha, N.1 aSolanki, Neha1 aKulkarni, Shailja1 aJotania, R., B.1 aShekhawat, MS1 aBhardwaj, S.1 aSuthar, B. uhttps://library.ncl.res.in/content/effect-sintering-temperature-and-vinca-petals-extract-structural-and-magnetic-properties02369nas a2200205 4500008004100000245015500041210006900196260000800265300001400273490000800287520159000295100001901885700002001904700002101924700002401945700002001969700001801989700002402007856013202031 2016 eng d00aEffective noncovalent functionalization of poly(ethylene glycol) to reduced graphene oxidenanosheets through gamma-radiolysis for enhanced lubrication0 aEffective noncovalent functionalization of polyethylene glycol t cFEB a2139-21480 v1203 aHigh-quality reduced graphene oxide (rGO) nanosheets (NSs) were synthesized by the oxidation of graphite followed by hydrazine treatment for the reduction of the oxygen functionalities. gamma-Radiolysis was then used for the functionalization of the rGO-NSs with poly(ethylene glycol) 200 (PEG200). The functionalization resulted in the intercalation of PEG200 molecules in rGO through hydrogen bonding between the hydroxyl groups of rGO and the oxygen atoms of PEG200 molecules. This resulted in an increase in the d spacing of the graphene sheets and a decrease in the defect density of the carbon network in the rGO. The friction coefficient and wear of sliding steel surfaces were reduced by 38% and 55%, respectively, when 0.03 mg mL(-1) PEG200-functionalized rGO dispersed in PEG200 was used. The lubrication properties can be described by bipolar interactions between PEG200 and rGO, leading to effective dispersion. Chemical analysis of wear particles showed decomposition of rGO into nanosized graphite domains, as exhibited by mechanical energy produced in tribo-contact. Moreover, these domains formed effective and stable tribofilms on the steel wear tracks that easily sheared under the action of contact stress. This significantly enhanced the antifriction and antiwear properties, resulting in improved oxidation resistance of PEG200 under the tribo-contact. It was found that, at high rGO concentrations, the lubrication efficiency decreased as a result of graphene-graphene intersheet collisions, producing mechanical energy and chemical defects at contact interfaces.1 aGupta, Bhavana1 aKumar, Niranjan1 aPanda, Kalpataru1 aMelvin, Ambrose, A.1 aJoshi, Shailesh1 aDash, Sitaram1 aTyagi, Ashok, Kumar uhttps://library.ncl.res.in/content/effective-noncovalent-functionalization-polyethylene-glycol-reduced-graphene-oxidenanosheets02336nas a2200253 4500008004100000022001400041245005400055210005400109260008100163300002700244490000600271520147600277653003101753653003001784653001901814653001801833100002801851700002201879700002401901700002401925700002301949700002401972856008601996 2016 eng d a2053-159100aEnhanced field emission behavior of layered MoSe20 aEnhanced field emission behavior of layered MoSe2 aTEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLANDbIOP PUBLISHING LTDcMAR aArticle Number: 0350030 v33 a

Herein, we report one step facile chemical vapor deposition method for synthesis of single-layer MoSe2 nanosheets with average lateral dimension similar to 60 mu m on 300 nm SiO2/Si and n-type silicon substrates and field emission investigation of MoSe2/Si at the base pressure of similar to 1 x 10(-8) mbar. The morphological and structural analyses of the as-deposited single-layer MoSe2 nanosheets were carried out using an optical microscopy, Raman spectroscopy and atomic force microscopy. Furthermore, the values of turn-on and threshold fields required to extract an emission current densities of 1 and 10 mu A cm(-2), are found to be similar to 1.9 and similar to 2.3 V mu m(-1), respectively. Interestingly, the MoSe2 nanosheet emitter delivers maximum field emission current density of similar to 1.5 mA cm(-2) at a relatively lower applied electric field of similar to 3.9 V mu m(-1). The long term operational current stability recorded at the preset values of 35 mu A over 3 hr duration and is found to be very good. The observed results demonstrates that the layered MoSe2 nanosheet based field emitter can open up many opportunities for their potential application as an electron source in flat panel display, transmission electron microscope, and x-ray generation. Thus, the facile one step synthesis approach and robust nature of single-layer MoSe2 nanosheets emitter can provide prospects for the future development of practical electron sources.

10aatomically thin nanosheets10achemical vapor deposition10afield emission10alayered MoSe21 aSuryawanshi, Sachin, R.1 aPawbake, Amit, S.1 aPawar, Mahendra, S.1 aJadkar, Sandesh, R.1 aMore, Mahendra, A.1 aLate, Dattatray, J. uhttps://library.ncl.res.in/content/enhanced-field-emission-behavior-layered-mose201760nas a2200157 4500008004100000022001400041245016800055210006900223260011000292300001600402490000700418520099400425100002701419700002501446856013101471 2016 eng d a1463-907600aEnhancing the strain sensitivity of CoFe2O4 at low magnetic fields without affecting the magnetostriction coefficient by substitution of small amounts of Mg for Fe0 aEnhancing the strain sensitivity of CoFe2O4 at low magnetic fiel aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcAPR a10516-105270 v183 a

Attaining high magnetostrictive strain sensitivity (d lambda/dH) with high magnetostriction strain (lambda) is desirable for sintered polycrystalline cobalt ferrite for various applications. It is shown that substitution of a small amount of Fe3+ by Mg2+ in CoMgxFe2-xO4 (x < 0.1) gives a comparable maximum magnetostriction coefficient to that of the unsubstituted counterpart, with large improvement in the strain sensitivity at relatively low magnetic fields. A large increase in the magnetostriction coefficient is obtained at low magnetic fields for the substituted compositions. The magnetostriction parameters are further enhanced by magnetic field annealing of the sintered products. The results are analyzed based on powder XRD, Raman spectroscopy, XPS and magnetic measurements and based on the results from these studies, the changes in the magnetostriction parameters are correlated with the changes in the cation distribution, magnetic anisotropy and microstructure.

1 aAnantharamaiah, P., N.1 aJoy, Pattayil, Alias uhttps://library.ncl.res.in/content/enhancing-strain-sensitivity-cofe2o4-low-magnetic-fields-without-affecting-magnetostriction00746nas a2200145 4500008004100000022002000041245001300061210001300074260001800087300001200105520039800117100001900515700001800534856004800552 2016 eng d a978-012801457-800aEpilogue0 aEpilogue bElsevier Inc. a737-7433 aThis chapter recaptures the key points and the lessons learned from our experience in applying the material discussed in this book to addressing industrially relevant issues. Some comments on future trends in catalysis and catalytic processes are included. We hope that this book will stimulate further work on this very important area from an industrial as well as a scientific point of view.1 aRanade, V., V.1 aJoshi, S., S. uhttps://library.ncl.res.in/content/epilogue02599nas a2200193 4500008004100000245011600041210006900157260000800226300001200234490000800246520190600254100001702160700001702177700002102194700001702215700002402232700002702256856012202283 2016 eng d00aEvaluating the anticancer activity and nanoparticulate nature of homeopathic preparations of Terminalia chebula0 aEvaluating the anticancer activity and nanoparticulate nature of cNOV a318-3260 v1053 aBackground: Breast cancer is the most common cancer diagnosed among women and is the second leading cause of cancer death. Homeopathic medicines are part of the alternative medicines that are given as a supportive therapy in breast cancer. The objective of this study was to investigate the anticancer activity of commercially available homeopathic preparations of Terminalia chebula (TC) and evaluate their nanoparticulate nature. Methods: Mother tincture (MT) and other homeopathic preparations (3X, 6C and 30C) of TC were tested for their effect on the viability of breast cancer (MDAMB231 and MCF7) and non-cancerous (HEK 293) cell lines by 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide (MTT) assay. Cell growth assay was performed to analyze the effect of the different potencies on the growth kinetics of breast cancer cells. MT and 6C were evaluated for the presence of nanoparticles by using scanning electron microscopy (SEM) and transmission electron microscopy (TEM). Results: MT decreased the viability of breast cancer (MDAMB231 and MCF7) and non-cancerous (HEK 293) cells. However, the other potencies (3X, 6C and 30C) decreased the viability of only breast cancer cells without affecting the viability of the non-cancerous cells. All the potencies, MT, 3X, 6C and 30C, reduced growth kinetics of breast cancer cells, more specifically at 1:10 dilution at 24, 48 and 72 h. Under SEM, MT appeared as a mesh-like structure whereas under TEM, it showed presence of nanoclusters. On the other hand, 6C potency contained 20 nm sized nanoparticles. Conclusion: The current study reports the anticancer activity of homeopathic preparations of TC against breast cancer and reveals their nanoparticulate nature. These preliminary results warrant further mechanistic studies at both in vitro and in vivo levels to evaluate the potential of TC as nanomedicine in breast cancer.1 aWani, Kirtee1 aShah, Nilesh1 aPrabhune, Asmita1 aJadhav, Arun1 aRanjekar, Prabhakar1 aKaul-Ghanekar, Ruchika uhttps://library.ncl.res.in/content/evaluating-anticancer-activity-and-nanoparticulate-nature-homeopathic-preparations02221nas a2200277 4500008004100000245013800041210006900179260000800248300002600256490000600282520122300288100002201511700002701533700003301560700002301593700001701616700001801633700002301651700001901674700002701693700002101720700002301741700002701764700002101791856013101812 2016 eng d00aEvaluation of uttroside B, a saponin from Solanum nigrum Linn, as a promising chemotherapeutic agent against hepatocellular carcinoma0 aEvaluation of uttroside B a saponin from Solanum nigrum Linn as  cNOV aArticle Number: 363180 v63 aWe report, for the first time, the remarkable efficacy of uttroside B, a potent saponin from Solanum nigrum Linn, against liver cancer. The compound has been isolated and characterized from the leaves of Solanum nigrum Linn, a plant widely used in traditional medicine and is a rich resource of several anticancer molecules. Uttroside B, that comprises of beta-D-glucopyranosyl unit at C-26 of the furostanol and beta-lycotetraosyl unit at C-3, is ten times more cytotoxic to the liver cancer cell line, HepG2 (IC50: 0.5 mu M) than sorafenib (IC50: 5.8 mu M), the only FDA-approved drug for liver cancer. Moreover, it induces cytotoxicity in all liver cancer cell lines, irrespective of their HBV status, while being non-toxic to normal immortalized hepatocytes. It induces apoptosis in HepG2 cells by down-regulating mainly the activation of MAPK and mTOR pathways. The drastic reduction in HepG2-xenograft tumor size achieved by uttroside B in NOD-SCID mice and substantiation of its biological safety through both acute and chronic toxicity studies in Swiss albino mice warrants clinical validation of the molecule against hepatic cancer, for which, the chemotherapeutic armamentarium currently has limited weapons.1 aNath, Lekshmi, R.1 aGorantla, Jaggaiah, N.1 aThulasidasan, Arun, Kumar T.1 aVijayakurup, Vinod1 aShah, Shabna1 aAnwer, Shabna1 aJoseph, Sophia, M.1 aAntony, Jayesh1 aVeena, Kollery, Suresh1 aSundaram, Sankar1 aMarelli, Udaya, K.1 aLankalapalli, Ravi, S.1 aAnto, Ruby, John uhttps://library.ncl.res.in/content/evaluation-uttroside-b-saponin-solanum-nigrum-linn-promising-chemotherapeutic-agent-against01762nas a2200169 4500008004100000022001400041245012500055210006900180260007100249300001200320490000600332520106900338100002101407700001901428700002401447856012101471 2016 eng d a1948-718500aEvidence for dry molten globule-like domains in the pH-induced equilibrium folding intermediate of a multidomain protein0 aEvidence for dry molten globulelike domains in the pHinduced equ a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcJAN a173-1790 v73 a

The role of van der Waals (vdW) packing interactions compared to the hydrophobic effect in stabilizing the functional structure of proteins is poorly understood. Here we show, using fluorescence resonance energy transfer, dynamic fluorescence quenching, red-edge excitation shift, and near- and far-UV circular dichroism, that the pH-induced structural perturbation of a multidomain protein leads to the formation of a state in which two out of the three domains have characteristics of dry molten globules, that is, the domains are expanded compared to the native protein with disrupted packing interactions but have dry cores. We quantitatively estimate the energetic contribution of vdW interactions and show that they play an important role in the stability of the native state and cooperativity of its structural transition, in addition to the hydrophobic effect. Our results also indicate that during the pH-induced unfolding, side-chain unlocking and hydrophobic solvation occur in two distinct steps and not in concerted manner, as commonly believed

1 aAcharya, Nirbhik1 aMishra, Prajna1 aJha, Santosh, Kumar uhttps://library.ncl.res.in/content/evidence-dry-molten-globule-domains-ph-induced-equilibrium-folding-intermediate-001195nas a2200145 4500008004100000245009100041210006900132260000800201300001600209490000600225520065900231100002000890700001900910856012000929 2016 eng d00aFacile O-glycosylation of glycals using Glu-Fe3O4-SO3H, a magnetic solid acid catalyst0 aFacile Oglycosylation of glycals using GluFe3O4SO3H a magnetic s cAUG a30846-308510 v63 aA new glucose derived magnetic solid acid catalyst (Glu-Fe3O4-SO3H) was synthesized in a convenient and ecofriendly manner and well characterized using FTIR, PXRD, EDAX, SEM, and XPS which showed the presence of Fe3O4 embedded on the surface of the catalyst along with -SO3H, -OH and -COOH functional groups. This new heterogeneous catalyst was studied for synthesis of 2-deoxy galactosides/glucosides with good yields and selectivity. Moreover, the catalyst can be easily separated from the reaction with an external magnetic force and reused for a minimum of four times without any significant decrease in the yields of the products after every recycle1 aThombal, R., S.1 aJadhav, V., H. uhttps://library.ncl.res.in/content/facile-o-glycosylation-glycals-using-glu-fe3o4-so3h-magnetic-solid-acid-catalyst01328nas a2200157 4500008004100000245011800041210006900159260000800228300001200236490000600248520072700254100001800981700002000999700002301019856012801042 2016 eng d00aFine tuning the composition and nanostructure of Fe-based core-shell nanocatalyst for efficient CO2 hydrogenation0 aFine tuning the composition and nanostructure of Febased coreshe cOCT a989-9960 v23 a

Hydrogenation of CO2 to hydrocarbons is one of the crucial technologies to address the energy deficit and increasing environmental pollution. In this work, we have synthesized and systematically studied the influence of composition and nanostructure of a Fe-based, carbon-coated core shell nanocatalyst. The synthesis method offered good control over the thickness of the carbon coating in the core shell catalyst, which in turn controlled the chemical composition of the core. The results emphasized an optimal amount of Fe3O4, Fe5C2 in the core and partially graphitized carbon in the shell for a high catalytic activity in the conversion of CO2 at atmospheric pressure with higher selectivity to C-2-C-4 olefins.

1 aGupta, Sharad1 aJain, Vivek, K.1 aJagadeesan, Dinesh uhttps://library.ncl.res.in/content/fine-tuning-composition-and-nanostructure-fe-based-core-shell-nanocatalyst-efficient-co201747nas a2200277 4500008004100000022001400041245007400055210006900129260000800198300001000206490000600216520085000222653002801072653002901100653004101129653002301170653003201193653002201225100001901247700002101266700001701287700001701304700002201321700002401343856010201367 2016 eng d a2352-940700aFluorescent carbon nanodots for targeted in vitro cancer cell imaging0 aFluorescent carbon nanodots for targeted in vitro cancer cell im cSEP a71-770 v43 a

Carbon quantum dots (CQDs or C-dots, <= 10nm in size) are tiny carbon nanoparticles being envisaged in biosensing, bio-imaging and biomolecular/drug delivery. In the present investigation, green fluorescent carbon quantum/nano dots (GCQDs, similar to 3 nm in size) were synthesized through facile chemical slicing method. Further, folic acid (FA) functionalized GCQDs (GCQDs-FA) were obtained to enhance their targeting ability. FA is known to positively influence the binding potential and penetration into the cancer cells because of high abundance of folate receptors (FR) on various cancer cell membranes. We report high biocompatibility, photoluminescence stability and excellent in vitro cancer cell cytoplasm and nucleus targeting performance of GCQDs-FA on MCF-7 breast cancer cells. (C) 2016 Elsevier Ltd. All rights reserved.

10aCancer cell bio-imaging10aCarbon quantum/nano dots10aCell cytoplasm and nucleus targeting10aGreen fluorescence10aPhotoluminescence stability10aTargeting ability1 aAiyer, Sandhya1 aPrasad, Rajendra1 aKumar, Manoj1 aNiryikar, K.1 aJain, Bhanprakash1 aKushwaha, Omkar, S. uhttps://library.ncl.res.in/content/fluorescent-carbon-nanodots-targeted-vitro-cancer-cell-imaging01412nas a2200217 4500008004100000245008700041210006900128260000800197300001400205490000600219520069900225100002300924700001500947700001800962700002100980700001701001700001801018700002701036700001701063856011401080 2016 eng d00aFluorescent probe for bisulfite ions: its application to two-photon tissue imaging0 aFluorescent probe for bisulfite ions its application to twophoto cDEC a7888-78940 v43 aA benzoxazinone based fluorescent probe for the specific and efficient detection of bisulfite ions in aqueous medium is described. The probe formed a bisulfite/sulphite adduct with an associated turn-on fluorescence response in the red wavelength region. No interference was observed in the detection process from all possible competing anions and molecules, including cyanide ion, cysteine, homocysteine and glutathione. In addition, the probe showed a fast response time, low detection limit, and cell membrane permeability. Furthermore, the probe was two-photon excitable, enabling imaging of endogenous bisulfite ions in HeLa cells as well as in deep tissues from different organs of mouse.1 aAgarwalla, Hridesh1 aPal, Suman1 aPaul, Anirban1 aJun, Yong, Woong1 aBae, Juryang1 aAhn, Kyo, Han1 aSrivastava, Divesh, N.1 aDas, Amitava uhttps://library.ncl.res.in/content/fluorescent-probe-bisulfite-ions-its-application-two-photon-tissue-imaging02545nas a2200301 4500008004100000022001400041245015600055210006900211260009500280300001200375490000800387520137900395653002301774653003301797653001101830653002101841653002501862100002901887700001601916700002501932700002601957700002401983700002502007700002202032700003702054700002002091856013202111 2016 eng d a0006-291X00aFunctional characterization and transient expression manipulation of a new sesquiterpene synthase involved in beta-caryophyllene accumulation in Ocimum0 aFunctional characterization and transient expression manipulatio a525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USAbACADEMIC PRESS INC ELSEVIER SCIENCEcAPR a265-2710 v4733 a

The genus Ocimum has a unique blend of diverse secondary metabolites, with major proportion of terpenoids including mono- and sesquiterpenes. Although, beta-Caryophyllene, bicyclic sesquiterpene, is one of the major terpene found in Ocimum species and known to possess several biological activities, not much is known about its biosynthesis in Ocimum. Here, we describe isolation and characterization of beta-caryophyllene synthase gene from Ocimum kilimandscharicum Gurke (OkBCS- GenBank accession no. KP226502). The open reading frame of 1629 bp encoded a protein of 542 amino acids with molecular mass of 63.6 kDa and pl value of 5.66. The deduced amino acid sequence revealed 50-70% similarity with known sesquiterpene synthases from angiosperms. Recombinant OkBCS converted farnesyl diphosphate to beta-caryophyllene as a major product (94%) and 6% alpha-humulene. Expression variation of OkBCS well corroborated with beta-caryophyllene levels in different tissues from five Ocimum species. OkBCS transcript revealed higher expression in leaves and flowers. Further, agro-infiltration based transient expression manipulation with OkBCS over-expression and silencing confirmed its role in beta-caryophyllene biosynthesis. These findings may potentially be further utilized to improve plant defense against insect pests. (C) 2016 Elsevier Inc. All rights reserved.

10abeta-Caryophyllene10aNatural product biosynthesis10aOcimum10aTerpene synthase10aTransient expression1 aJayaramaiah, Ramesha, H.1 aAnand, Atul1 aBeedkar, Supriya, D.1 aDholakia, Shushan, B.1 aPunekar, Sachin, A.1 aKalunke, Raviraj, M.1 aGade, Wasudeo, N.1 aThulasiram, Hirekodathakallu, V.1 aGiri, Ashok, P. uhttps://library.ncl.res.in/content/functional-characterization-and-transient-expression-manipulation-new-sesquiterpene-synthase01187nas a2200169 4500008004100000245010300041210006900144260000800213300001400221490000700235520054100242100002300783700002300806700002100829700003700850856013000887 2016 eng d00aFungal mediated kinetic resolution of racemic acetates to (R)-alcohols using fusarium proliferatum0 aFungal mediated kinetic resolution of racemic acetates to Ralcoh cOCT a4563-45670 v573 a

Fungal mediated kinetic resolution of seven acyclic/aromatic acetates was achieved using Fusarium proliferatum to furnish (R)-alcohols in high enantiomeric excess (>95%). The kinetic resolution was established as one-pot two-step de-esterification/oxidation biocatalytic process. Further, the preparative scale synthesis of (R)-(+)-1-phenylethanol was accomplished through de-esterification/oxidation of (+/-)-1-phenylethyl acetate using the whole cell of F. proliferatum NCIM 1105. (C) 2016 Elsevier Ltd. All rights reserved.

1 aJadhav, Dipesh, D.1 aPatil, Harshal, S.1 aChaya, Patil, S.1 aThulasiram, Hirekodathakallu, V. uhttps://library.ncl.res.in/content/fungal-mediated-kinetic-resolution-racemic-acetates-r-alcohols-using-fusarium-proliferatum02278nas a2200169 4500008004100000245009600041210006900137260000800206300001400214490000900228520167400237100001701911700001801928700002001946700002801966856011401994 2016 eng d00aGanglioside GM1 interacts with the serotonin1A receptor via the sphingolipid binding domain0 aGanglioside GM1 interacts with the serotonin1A receptor via the  cNOV a2818-28260 v18583 a

Glycosphingolipids are minor yet essential components of eukaryotic cell membranes and are involved in a variety of cellular processes. Although glycosphingolipids such as GM1 have been previously reported to influence the function of G protein-coupled receptors (GPCRs), the molecular mechanism remains elusive. In this paper, we have explored the interaction of GM1 with the serotonin1A receptor, an important neurotransmitter receptor that belongs to the GPCR family. To examine the molecular basis of the interaction of GM1 with the serotonin1A receptor, we performed a series of coarse-grain molecular dynamics simulations of the receptor embedded in membrane bilayers containing GM1. Our results show that GM1 interacts with the serotonin1A receptor predominantly at the extracellular loop 1 and specifically at the sphingolipid binding domain (SBD). The SBD motif consists of a characteristic combination of aromatic, basic and turn-inducing residues, and is evolutionarily conserved in case of the serotonin1A receptor. The interaction of the SBD site with GM1 appears to stabilize a 'flip-out' conformation in which W102 of the extracellular loop 1 flips out from the central lumen of the receptor toward the membrane. The population of the 'flip-out' conformation is increased in the presence of cholesterol. Our data strongly suggest that a direct interaction between GM1 and the SBD site of the serotonin1A receptor may occur in vivo. In view of the reported role of GM1 and the serotonin1A receptor in neurodegenerative diseases, GM1-receptor interaction assumes significance in the context of malfunctioning of neuronal GPCRs under such conditions.

1 aPrasanna, X.1 aJafurulla, M.1 aSengupta, Durba1 aChattopadhyay, Amitabha uhttps://library.ncl.res.in/content/ganglioside-gm1-interacts-serotonin1a-receptor-sphingolipid-binding-domain02572nas a2200181 4500008004100000022001400041245011600055210006900171260011000240300001400350490000600364520180000370100001602170700001802186700002702204700003002231856012902261 2016 eng d a2044-475300aGas-solid interaction of H-2-Ce0.95Zr0.05O2: new insights into surface participation in heterogeneous catalysis0 aGassolid interaction of H2Ce095Zr005O2 new insights into surface aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcOCT a1746-17560 v63 a

A direct interaction between a reduction medium (H-2) and a Ce0.95Zr0.05O2 (CZ) solid surface was explored through ambient pressure photoelectron spectroscopy (APPES), with conventional X-ray and He-I photon sources, in H-2 atmosphere up to 0.1 mbar pressure and 773 K. A porous CZ thin film was prepared by a combination of sol-gel and spin-coating methods, and was employed to understand the redox nature of ceria under reduction conditions. The maximum of 45% Ce3+ along with the corresponding oxygen vacancy was observed due to reduction. An unprecedented decrease in the valence band (VB) energy up to 1.4 eV was observed on reduction along with a narrowing of VB. The highest occupied energy band derived from Ce 4f also shifts closer to E-F. H-2 molecular vibration observed in VB-APPES was employed as a probe to explore the surface potential changes along with the dynamic change in the nature of the surface under reduction conditions. The surface potential decreases by 0.27 eV up to 673 K, and then it reverts by 0.24 eV on further reduction at 773 K for different reasons. Further, an enhancement in the Ce 5d-O 2p interaction occurs at the expense of the Ce 4f-O 2p interaction under the above reduction conditions. Vacuum annealing and H-2 reduction after that show significantly more VB shift and enhanced reduction than H-2 reduction alone. Although Ce reduction occurs on high temperature vacuum annealing of CZ, a significantly lower amount of oxygen vacancies appears. This study shows the dynamic changes in the nature of the surface due to a gas (H-2)-solid (CZ) interaction and ensuing electronic structure changes that influence heterogeneous catalysis. It also underscores the necessity to study the catalytic materials under in situ conditions or closer to that.

1 aJain, Ruchi1 aDubey, Anjani1 aGhosalya, Manoj, Kumar1 aGopinath, Chinnakonda, S. uhttps://library.ncl.res.in/content/gas-solid-interaction-h-2-ce095zr005o2-new-insights-surface-participation-heterogeneous-000644nas a2200157 4500008004100000245012600041210006900167260000800236300001600244490000700260100001900267700002500286700002500311700002500336856012500361 2016 eng d00aGlycation induces conformational changes in Amyloid-? peptide and enhances its aggregation propensity: molecular insights0 aGlycation induces conformational changes in Amyloid peptide and  cOCT a31446-314580 v181 aJana, Asis, K.1 aBatkulwar, Kedar, B.1 aKulkarni, Mahesh, J.1 aSengupta, Neelanjana uhttps://library.ncl.res.in/content/glycation-induces-conformational-changes-amyloid-peptide-and-enhances-its-aggregation00541nas a2200133 4500008004100000245010200041210006900143260000800212300001000220490000600230100002500236700001600261856013000277 2016 eng d00aGraphene quantum dot-based on-chip electrochemical DNA hybridization sensor for pancreatic cancer0 aGraphene quantum dotbased onchip electrochemical DNA hybridizati cNOV a31-400 v61 aJoshi, Preeti, Nigam1 aWaghmode, S uhttps://library.ncl.res.in/content/graphene-quantum-dot-based-chip-electrochemical-dna-hybridization-sensor-pancreatic-cancer00522nas a2200133 4500008004100000245007500041210006900116260002000185100002500205700001700230700002200247700001900269856010000288 2016 eng d00aGraphene quantum dots - from emergence to nanotheranostic applications0 aGraphene quantum dots from emergence to nanotheranostic applicat aCroatiabIntech1 aJoshi, Preeti, Nigam1 aKundu, Subir1 aSanghi, Sunil, K.1 aSarkar, Dhiman uhttps://library.ncl.res.in/content/graphene-quantum-dots-emergence-nanotheranostic-applications00460nas a2200121 4500008004100000245007500041210006900116260000800185300000800193490000600201100002500207856010600232 2016 eng d00aGreen chemistry in nanotechnology: opportunities and future challenges0 aGreen chemistry in nanotechnology opportunities and future chall cJAN a3-40 v51 aJoshi, Preeti, Nigam uhttps://library.ncl.res.in/content/green-chemistry-nanotechnology-opportunities-and-future-challenges01858nas a2200241 4500008004100000022001400041245012900055210006900184260009200253300001000345490000700355520092100362653002001283653002301303653002801326653002501354100001701379700002301396700001901419700002101438700002501459856013201484 2016 eng d a1745-808000aGreen synthesis of silver nanoparticles from purple acid phosphatase apoenzyme isolated from a new source limonia acidissima0 aGreen synthesis of silver nanoparticles from purple acid phospha a4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLANDbTAYLOR & FRANCIS LTDcJAN a28-370 v113 a

Green synthesis of nanoparticles is regarded as a safe and non-toxic process whereas conventional synthesis using chemical methods produces toxic substance. This study provides a novel insight for enzymatic synthesis method of silver nanoparticles using purple acid phosphatase, isolated from Limonia acidissima (wood apple) as a new source and used in the synthesis of silver nanoparticles. Stable silver nanoparticles were produced by sonochemical method using apoenzyme as a stabilising and capping agent and were characterised by various physicochemical techniques like UV-Visible spectroscopy, Fourier-transform infrared, X-ray diffraction and transmission electron microscopy. X-ray study shows that nanoparticles are composed of silver and silver oxide. The synthesised nanoparticles exhibited excellent antimicrobial activity against Escherichia coli, Pseudomonas aeruginosa and Staphylococcus aureus.

10agreen synthesis10aLimonia acidissima10apurple acid phosphatase10asilver nanoparticles1 aPawar, Omkar1 aDeshpande, Neelima1 aDagade, Sharda1 aWaghmode, Shobha1 aJoshi, Preeti, Nigam uhttps://library.ncl.res.in/content/green-synthesis-silver-nanoparticles-purple-acid-phosphatase-apoenzyme-isolated-new-source-001745nas 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-catalytic01384nas 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-nanorods00669nas 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-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%934202264nas a2200229 4500008004100000022001400041245010800055210006900163260009900232300001000331490000700341520139900348653001801747653001301765653001901778653001301797653002201810100002801832700002901860700002601889856011901915 2016 eng d a0032-386100aImproved performance of microcapsules with polymer nanocomposite wall: preparation and characterization0 aImproved performance of microcapsules with polymer nanocomposite aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLANDbELSEVIER SCI LTDcJAN a27-330 v833 a

Polyurea/clay nanocomposite microcapsules containing dimethyl phthalate (DMP) as a model compound were prepared by interfacial polymerization technique. Nanoclays namely, montmorillonite Na+ (MMT) and Laponite were incorporated into microcapsule wall and their effects on morphology, thermal properties and release of DMP from microcapsules were investigated. All microcapsules were characterized using scanning electron microscope (SEM), X-ray diffraction (XRD), transmission electron microscope (TEM), thermogravimetric analysis (TGA) and Fourier transform infrared (FTIR) spectroscopy. The present preparation process results in formation of polyurea/clay nanocomposite microcapsule wall with intercalated clay layered as evidenced by XRD and TEM. Nanocomposite microcapsules have shown significant reduction in release of DMP and change in release mechanism as compared to the pristine microcapsules. Nanocomposite microcapsules show good improvement in the fracture strength as compared to pristine microcapsules. The approach used herein is simple and can be adopted to many other polymeric microcapsule systems prepared by different microencapsulation techniques, requiring reduction in release rate and/or mechanism for several applications like pharmaceuticals, agrochemicals, industrially important chemicals, consumer products, etc. (C) 2015 Elsevier Ltd. All rights reserved.

10aMicrocapsules10aNanoclay10aNanocomposites10aPolyurea10aRelease mechanism1 aJagtap, Siddheshwar, B.1 aMohan, Muthu, Subramania1 aShukla, Parshuram, G. uhttps://library.ncl.res.in/content/improved-performance-microcapsules-polymer-nanocomposite-wall-preparation-and-001771nam a2200145 4500008004100000022002000041245006800061210006800129260001800197300001000215520124100225100001801466700001901484856012201503 2016 eng d a978-012801457-800aIndustrial catalytic processes for fine and specialty chemicals0 aIndustrial catalytic processes for fine and specialty chemicals bElsevier Inc. a1-7563 aIndustrial Catalytic Processes for Fine and Specialty Chemicals provides a comprehensive methodology and state-of-the art toolbox for industrial catalysis. The book begins by introducing the reader to the interesting, challenging, and important field of catalysis and catalytic processes. The fundamentals of catalysis and catalytic processes are fully covered before delving into the important industrial applications of catalysis and catalytic processes, with an emphasis on green and sustainable technologies. Several case studies illustrate new and sustainable ways of designing catalysts and catalytic processes. The intended audience of the book includes researchers in academia and industry, as well as chemical engineers, process development chemists, and technologists working in chemical industries and industrial research laboratories. Discusses the fundamentals of catalytic processes, catalyst preparation and characterization, and reaction engineering Outlines the homogeneous catalytic processes as they apply to specialty chemicals Introduces industrial catalysis and catalytic processes for fine chemicals Includes a number of case studies to demonstrate the various processes and methods for designing green catalysts.1 aJoshi, S., S.1 aRanade, V., V. uhttps://www.scopus.com/record/display.uri?eid=2-s2.0-85011771021&origin=inward&txGid=7c8f7f226127f1f797c566d20e205f1701680nas a2200169 4500008004100000245007800041210006900119260000800188300001600196490000700212520111300219100002001332700001801352700002001370700001601390856010401406 2016 eng d00aInfluence of carbon and phosphorus doping on electronic properties of ZnO0 aInfluence of carbon and phosphorus doping on electronic properti cDEC a12318-123220 v273 aZnO is one of the most promising candidate for photoelectrochemical splitting of water for hydrogen production. To increase the efficiency of ZnO based photoelectrochemical cell, its band-gap and band edges should be tailored to match visible light spectra and water redox potential respectively. In this paper, First-principles density functional theory calculations have been performed to evaluate the effect of non-metal dopants on electronic properties of ZnO. The model structures of X-doped ZnO were constructed using 32-atom 2 x 2 x 2 supercell of wurtzite ZnO with one O atom replaced with X (carbon C, phosphorus P). With respect to the electronic band structure, C (2p), P (3p) states are located above the valence band maximum of ZnO and mixing of these states is feeble to produce significant band gap narrowing. Doping of these non-metals dopants helps in the creation of isolated states which enhances visible light absorption of ZnO. Our theoretical calculations are consistent with the experimental results of C (P) doped ZnO and fully explains its visible light activity on non-metal doping.1 aSharma, Vidhika1 aPrasad, Mohit1 aJadkar, Sandesh1 aPal, Sourav uhttps://library.ncl.res.in/content/influence-carbon-and-phosphorus-doping-electronic-properties-zno01655nas a2200169 4500008004100000245015300041210006900194260000800263300001600271490000700287520093700294653007301231100001901304700001701323700001601340856012901356 2016 eng d00aIsothermal titration calorimetric study of the ionic liquid solutions in alcohols in extreme dilutions: an investigation of ion-solvent interactions0 aIsothermal titration calorimetric study of the ionic liquid solu cAUG a1313–13310 v453 a

In this work an effort has been made to show the effect of an alcohol-rich environment on imidazolium-based ionic liquids at 298.15 K using an isothermal titration calorimeter. It is divulged from this study that the thermal behavior expressed in terms of excess partial molar enthalpy, \( H_{\text{IL}}^{\text{E}} \), of ionic liquids in various linear alcohols is governed by the increasing hydrophobicity of the residual alkyl group attached to the cation of an ionic liquid and to the alcohol molecules. An interesting observation about the systems consisting of ethylated residuals on both the cations of the ionic liquid and the alcohol molecules is that these systems do not follow the trend exhibited by other ionic liquid–alcohol systems. Interesting information on ionic interactions is obtained by using a simple methodology that gives the enthalpic interaction parameter \( H_{{I{\text{L - IL}}}}^{\text{E}} \).

10aIonic liquidsAlcoholsExcess enthalpyIsothermal titration calorimeter1 aRai, Gitanjali1 aJain, Preeti1 aKumar, Anil uhttps://library.ncl.res.in/content/isothermal-titration-calorimetric-study-ionic-liquid-solutions-alcohols-extreme-dilutions01567nas a2200181 4500008004100000022001400041245014600055210006900201260011000270300001400380490000600394520076000400100002201160700002401182700002401206700002401230856013101254 2016 eng d a2040-336400aLarge area chemical vapor deposition of monolayer transition metal dichalcogenides and their temperature dependent Raman spectroscopy studies0 aLarge area chemical vapor deposition of monolayer transition met aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcJAN a3008-30180 v83 a

We investigate the growth mechanism and temperature dependent Raman spectroscopy of chemical vapor deposited large area monolayer of MoS2, MoSe2, WS2 and WSe2 nanosheets up to 70 mu m in lateral size. Further, our temperature dependent Raman spectroscopy investigation shows that softening of Raman modes as temperature increases from 80 K to 593 K is due to the negative temperature coefficient and anharmonicity. The temperature dependent softening modes of chemical vapor deposited mono-layers of all TMDCs were explained on the basis of a double resonance phonon process which is more active in an atomically thin sample. This process can also be fundamentally pertinent in other emerging two-dimensional layered and heterostructured materials.

1 aPawbake, Amit, S.1 aPawar, Mahendra, S.1 aJadkar, Sandesh, R.1 aLate, Dattatray, J. uhttps://library.ncl.res.in/content/large-area-chemical-vapor-deposition-monolayer-transition-metal-dichalcogenides-and-their-001595nas a2200181 4500008004100000022001400041245008700055210006900142260011000211300001400321490000700335520085400342100002301196700002301219700002801242700002701270856011601297 2016 eng d a1463-926200aLigand-free Pd catalyzed cross-coupling reactions in an aqueous hydrotropic medium0 aLigandfree Pd catalyzed crosscoupling reactions in an aqueous hy aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcNOV a1898-19110 v183 a

A simple, efficient and ligand-free protocol for the Suzuki-Miyaura reaction and base-free Heck-Matsuda reactions under mild reaction conditions have been developed over palladium supported on activated carbon (Pd/C) in an aqueous hydrotropic solution. The catalyst Pd/C was fully characterized by TG-DTA, SEM, EDS, XRD, XPS, BET and ICP-AES analyses. This green methodology represents a cost-effective and operationally convenient method for the synthesis of a variety of biaryls, prochiral ketones, and acrylates under the conditions that are tolerant for a broad range of functional groups with good to excellent yields. The developed Pd/C-aqueous hydrotrope combined catalytic system is well suited for the 3R approach (reducible, robust, and recyclable) for different cross-coupling reactions without an appreciable loss of its activity.

1 aJadhav, Sanjay, N.1 aKumbhar, Arjun, S.1 aRode, Chadrashekhar, V.1 aSalunkhe, Rajashri, S. uhttps://library.ncl.res.in/content/ligand-free-pd-catalyzed-cross-coupling-reactions-aqueous-hydrotropic-medium02017nas a2200193 4500008004100000245014400041210006900185260000800254300001400262490000700276520128500283100002401568700002201592700002301614700002401637700001701661700002001678856012501698 2016 eng d00aMechanistic insights into pincer-ligated palladium-catalyzed arylation of azoles with aryl Iodides: evidence of a Pd-II-Pd-IV-Pd-II pathway0 aMechanistic insights into pincerligated palladiumcatalyzed aryla cMAR a875–8860 v353 a

Pincer-based (R2POCNR′2)PdCl complexes along with CuI cocatalyst catalyze the arylation of azoles with aryl iodides to give the 2-arylated azole products. Herein, we report an extensive mechanistic investigation for the direct arylation of azoles involving a well-defined and highly efficient (iPr2POCNEt2)PdCl (2a) catalyst, which emphasizes a rare PdII–PdIV–PdII redox catalytic pathway. Kinetic studies and deuterium labeling experiments indicate that the C–H bond cleavage on azoles occurs via two distinct routes in a reversible manner. Controlled reactivity of the catalyst 2a underlines the iodo derivative (iPr2POCNEt2)PdI (3a) to be the resting state of the catalyst. The intermediate species (iPr2POCNEt2)Pd-benzothiazolyl (4a) has been isolated and structurally characterized. A determination of reaction rates of compound 4a with electronically different aryl iodides has revealed the kinetic significance of the oxidative addition of the C(sp2)–X electrophile, aryl iodide, to complex 4a. Furthermore, the reactivity behavior of 4a suggests that the arylation of benzothiazole proceeds via an oxidative addition/reductive elimination pathway involving a (iPr2POCNEt2)PdIV(benzothiazolyl)(Ar)I species, which is strongly supported by DFT calculations.

1 aKhake, Shrikant, M.1 aJagtap, Rahul, A.1 aDangat, Yuvraj, B.1 aGonnade, Rajesh, G.1 aVanka, Kumar1 aPunji, Benudhar uhttps://library.ncl.res.in/content/mechanistic-insights-pincer-ligated-palladium-catalyzed-arylation-azoles-aryl-iodides02124nas a2200253 4500008004100000022001400041245012300055210006900178260011000247300001600357490000600373520114700379100002301526700002001549700002001569700002101589700002101610700002101631700002801652700002101680700001801701700002401719856012701743 2016 eng d a2046-206900aModulation of charge carrier mobility by side-chain engineering of bi(thienylenevinylene)thiophene containing PPE-PPVs0 aModulation of charge carrier mobility by sidechain engineering o aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcMAY a51642-516480 v63 a

Four 2-dimensional conjugated poly(p-phenylene-ethynylene)-alt-poly(p-phenylene-vinylene) polymers containing a lateral bi(thienylenevinylene)thiophene unit (BTE-PVs) were synthesised and characterised. The investigated polymers share the same conjugated structure, but differ in the anchoring positions of solubilising linear octyloxy/branched 2-ethylhexyloxy side-chains. UV-vis spectra of the polymers in dilute chloroform solutions and as thin films were studied. X-Ray diffraction patterns as well as the bulk charge transport of polymer films cast from chlorobenzene solutions were also investigated. A dramatic effect of the solubilising side-chains on the charge carrier mobility of BTE-PV films was observed, with bulk hole mobility values ranging between 1.3 x 10(-5) cm(2) V-1 s(-1) and 2.2 x 10(-2) cm(2) V-1 s(-1), which is not ascribable to evident structural variations of the polymer films. It is shown that the combination of linear octyloxy and branched 2-ethylhexyloxy side-chains is favorable for the charge transport properties of BTE-PVs, compared to the incorporation of only linear or only branched side-chains.

1 aJadhav, Rupali, R.1 aCamaioni, Nadia1 aOppelt, Kerstin1 aTinti, Francesca1 aGazzano, Massimo1 aFattori, Valeria1 aWadgaonkar, Prakash, P.1 aRathgeber, Silke1 aHoppe, Harald1 aEgbe, Daniel, A. M. uhttps://library.ncl.res.in/content/modulation-charge-carrier-mobility-side-chain-engineering-bithienylenevinylenethiophene02387nas a2200277 4500008004100000022001400041245015700055210006900212260008600281300001200367490000700379520129800386653002201684653002301706653003801729653003301767100002201800700002301822700002101845700002301866700002501889700002201914700002701936700002201963856012401985 2016 eng d a0739-110200aMolecular interaction of selected phytochemicals under the charged environment of Plasmodium falciparum chloroquine resistance transporter (PfCRT) model0 aMolecular interaction of selected phytochemicals under the charg a530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USAbTAYLOR & FRANCIS INCcFEB a290-3030 v343 a

Phytochemicals of Catharanthus roseus Linn. and Tylophora indica have been known for their inhibition of malarial parasite, Plasmodium falciparum in cell culture. Resistance to chloroquine (CQ), a widely used antimalarial drug, is due to the CQ resistance transporter (CRT) system. The present study deals with computational modeling of Plasmodium falciparum chloroquine resistance transporter (PfCRT) protein and development of charged environment to mimic a condition of resistance. The model of PfCRT was developed using Protein homology/analogy engine (PHYRE ver 0.2) and was validated based on the results obtained using PSI-PRED. Subsequently, molecular interactions of selected phytochemicals extracted from C. roseus Linn. and T. indica were studied using multiple-iterated genetic algorithm-based docking protocol in order to investigate the translocation of these legends across the PfCRT protein. Further, molecular dynamics studies exhibiting interaction energy estimates of these compounds within the active site of the protein showed that compounds are more selective toward PfCRT. Clusters of conformations with the free energy of binding were estimated which clearly demonstrated the potential channel and by this means the translocation across the PfCRT is anticipated.

10ahomology modeling10amolecular dynamics10aPlasmodium falciparum chloroquine10aresistance transporter model1 aPatel, Saumya, K.1 aKhedkar, Vijay, M.1 aJha, Prakash, C.1 aJasrai, Yogesh, T.1 aPandya, Himanshu, A.1 aGeorge, Linz-Buoy1 aHighland, Hyacinth, N.1 aSkelton, Adam, A. uhttps://library.ncl.res.in/content/molecular-interaction-selected-phytochemicals-under-charged-environment-plasmodium-002170nas a2200205 4500008004100000022001400041245010200055210006900157260006700226300001200293490000600305520141000311100001901721700002001740700002101760700002401781700002001805700001801825856012101843 2016 eng d a2196-735000aMolecular-Pillar-supported functionalized reduced graphene-oxide for energy efficient lubrication0 aMolecularPillarsupported functionalized reduced grapheneoxide fo a111 RIVER ST, HOBOKEN 07030-5774, NJ USAbWILEY-BLACKWELLcJUL a16001610 v33 a

Molecular-pillar-supported basal plane of reduced graphene oxide (rGO) is fabricated by polymerizing polyaniline (PANI). In the presence of poly(ethylene glycol) (PEG200), the gamma-radiolysis is used for modifying the functionalization and improving the structural symmetry of PANI and PEG grafted rGO (PANI-PEG-g-rGO). The PANI is covalently and noncovalently grafted onto the surface of the graphene sheets. Carboxyl groups of rGO are linked to the nitrogen atoms in the PANI backbone and an accompanying noncovalent interaction between alkyl chains of grafted PANI and hydrooxylated rGO is formed. Raman and Fourier transform infra-red results confirm existence of stretching vibrations of benzenoid and quinonoid rings in PANI-PEG-g-rGO-functionalized composite, indicating grafting between PANI and rGO through pi-pi interaction. Furthermore, PEG-functionalization through hydrogen bonding with rGO is confirmed when hydroxyl group from the rGO combines with oxygen of PEG. X-ray photoelectron spectroscopy reveals significant increase in carbon, while loading PANI network with rGO followed by gamma-irradiation. Antifriction and antiwear properties of graphene nanocomposite are considerably enhanced to 68.4% and 48%, respectively, as compared to pristine PEG. The unique lubrication properties are explained by PEG functionalized molecular PANI-pillar structure across basal plane of rGO.

1 aGupta, Bhavana1 aKumar, Niranjan1 aPanda, Kalpataru1 aMelvin, Ambrose, A.1 aJoshi, Shailesh1 aDash, Sitaram uhttps://library.ncl.res.in/content/molecular-pillar-supported-functionalized-reduced-graphene-oxide-energy-efficient02204nas a2200253 4500008004100000022001400041245009100055210006900146260011000215300001600325490000600341520123900347100002901586700003901615700001801654700002401672700001701696700002301713700002401736700002601760700002101786700002501807856011801832 2016 eng d a2046-206900aMolecules with O-acetyl group protect protein glycation by acetylating lysine residues0 aMolecules with Oacetyl group protect protein glycation by acetyl aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcJUL a65572-655780 v63 a

Pharmaceutical intervention for reduction of advanced glycation end products (AGEs) is considered as a therapeutic strategy to attenuate the pathogenesis of diabetes. Many molecules have been reported to possess antiglycation activity, one such example is acetylsalicylic acid (aspirin). It protects proteins from glycation by acetylating the lysine residues. Therefore, in this study we have synthesized and screened molecules containing free N-acetyl, O-acetyl and acetophenone groups. All the selected molecules in this study showed glycation inhibition but interestingly, only molecules with O-acetyl but not N-acetyl and acetophenone groups were capable of acetylating lysine residue. Furthermore, we have demonstrated that pre-acetylation or aspirin treatment prior to the induction of diabetes helps in reducing HbA1c and AGE formation in the streptozotocin induced diabetic mice. Hence pre-acetylation may have an additional therapeutic efficacy of reducing AGE levels in vivo. Incorporation of O-acetyl group into anti-diabetic molecules could be a useful strategy, as it may have an additive effect in reducing AGEs. Identification of such novel acetylating agents represents a new area in the drug discovery process.

1 aVannuruswamy, Garikapati1 aJagadeeshaprasad, Mashanipalya, G.1 aKashinath, K.1 aKesavan, Suresh, K.1 aBhat, Shweta1 aKorwar, Arvind, M.1 aChougale, Ashok, D.1 aBoppana, Ramanamurthy1 aReddy, Srinivasa1 aKulkarni, Mahesh, J. uhttps://library.ncl.res.in/content/molecules-o-acetyl-group-protect-protein-glycation-acetylating-lysine-residues01784nas a2200193 4500008004100000022001400041245008500055210006900140260007300209300001000282490000800292520104000300653002801340653003401368653002901402653002101431100002301452856011501475 2016 eng d a0926-860X00aMultifunctional nanocatalysts for tandem reactions: a leap toward sustainability0 aMultifunctional nanocatalysts for tandem reactions a leap toward aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcFEB a59-770 v5113 a

Design of new multifunctional nanocatalysts is a hot area of research that aims to introduce multiple types of active sites on a single nanocatalyst. Multifunctional nanocatalysts are useful to carry out a multi-step reaction requiring same or different active sites in a single pot. Such catalysts must possess the active sites at spatially distinct locations to avoid neutralization but yet remain active independently or through cooperative actions. The necessity of nanostructuring the active sites have emerged as the key point in a successful design of the catalysts. The review covers the progress in this area of research done in the last five years. It includes the classification of catalysts based on active sites and structure of active sites at the nanoscale. The review covers exhaustively with 250+ references and ample examples to present the concept succinctly. The review covers the evolution of multifunctional catalysts from the perspective of materials chemistry. (C) 2015 Elsevier B.V. All rights reserved.

10aHeterogeneous catalysts10aMultifunctional nanocatalysts10aNanostructured materials10aTandem reactions1 aJagadeesan, Dinesh uhttps://library.ncl.res.in/content/multifunctional-nanocatalysts-tandem-reactions-leap-toward-sustainability-001917nas a2200181 4500008004100000245011400041210006900155260000800224300001200232490000600244520124400250100002901494700002401523700002301547700001901570700002101589856012501610 2016 eng d00aNew dinor-cis-labdane diterpene and flavonoids with antimycobacterium activity from colebrookea oppositifolia0 aNew dinorcislabdane diterpene and flavonoids with antimycobacter cMAR ae20-e240 v33 a

The new 14,15-dinor-cis-labdane diterpene, named (+)-14,15-dinor-9α-hydroxy-cis-labd-11(E)-en-13-one (1), was isolated from the acetone extract of the aerial parts of Colebrookea oppositifolia, along with the known compounds alnustin (2), mosloflavone (3), flindulatin (4), 5,6,7-trimethoxy baicalein (5), tanetin (6), scutellarein 4′-methyl ether (7), apigenin (8), caffeic acid (9), anisofolin A (10), apigetrin (11), and forsythoside A (12). Structures of the new and known compounds were established by detailed analysis of 1D and 2D nuclear magnetic resonance studies. The isolated compounds 1–12 were evaluated for their antimycobacterium activity against Mycobacterium tuberculosis H37Ra and Mycobacterium bovis in both dormant and active phases. Compounds 1, 7, and 8 exhibited inhibitory activity against M. tuberculosis with IC50 values in the range of 8.1–55.0 µM (MIC 14.4–119.7 µM) in the active phase and 7.4–43.5 µM (MIC 11.5–123.3 µM) in the dormant phase. Similarly 1, 7, and 8 exhibited inhibitory activity against M. bovis with IC50 values in the range of 4.1–98.5 µM (MIC 13.7–161.0 µM) in the active phase and 4.1–111.1 µM (MIC 13.0–166.4 µM) in the dormant phase.

1 aChinchansure, Ashish, A.1 aArkile, Manisha, A.1 aShinde, Dinesh, R.1 aSarkar, Dhiman1 aJoshi, Swati, P. uhttps://library.ncl.res.in/content/new-dinor-cis-labdane-diterpene-and-flavonoids-antimycobacterium-activity-colebrookea01812nas a2200265 4500008004100000022001400041245009900055210006900154260009200223300001200315490000700327520083500334653002101169653003001190653003101220653001501251653001401266100002501280700002101305700002301326700002601349700001901375700002101394856013101415 2016 eng d a1478-641900aNew pimarane diterpenes and other antimycobacterial metabolites from anisochilus verticillatus0 aNew pimarane diterpenes and other antimycobacterial metabolites  a4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLANDbTAYLOR & FRANCIS LTDcMAR a675-6810 v303 a

Phytochemical investigation of the acetone extract of the aerial parts of Anisochilus verticillatus afforded a new 8,9-secopimarane diterpene (1), two new isopimarane diterpenes (2, 3) and the known ursolic acid (4), beta-amyrin (5), -amyrin (6), stigmast-5-en-3-one (7) and hydroxychavicol (8). Structures of the new compounds were elucidated with the help of 1D and 2D nuclear magnetic resonance spectroscopic data, and single crystal X-ray crystallography of compound 3. Compounds 2 and 8 inhibited Mycobacterium tuberculosis H37Ra with an IC50 of 11.3 (IC90 of 20.0g/mL) and 12.5g/mL, respectively. Correspondingly, molecular docking studies with Extra Precision Glide revealed a correlation between score and biological activity for these compounds to describe the molecular basis for the most significant SAR results.

10aalanine racemase10aAnisochilus verticillatus10aantimycobacterial activity10aditerpenes10aLamiaceae1 aKulkarni, Roshan, R.1 aShurpali, Ketaki1 aKhedkar, Vijay, M.1 aPuranik, Vedavati, G.1 aSarkar, Dhiman1 aJoshi, Swati, P. uhttps://library.ncl.res.in/content/new-pimarane-diterpenes-and-other-antimycobacterial-metabolites-anisochilus-verticillatus-002359nas a2200397 4500008004100000022001400041245008000055210006900135260011000204300001400314490000600328520105800334100003001392700001701422700003001439700002201469700001701491700001801508700001701526700001501543700001901558700002301577700002101600700002501621700002101646700001901667700001801686700001601704700002201720700002301742700001701765700002301782700002001805700002101825856011501846 2016 eng d a1754-569200aNext-generation ammonia pretreatment enhances cellulosic biofuel production0 aNextgeneration ammonia pretreatment enhances cellulosic biofuel  aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcFEB a1215-12230 v93 a

A new liquid ammonia pretreatment methodology called Extractive Ammonia (EA) was developed to simultaneously convert native crystalline cellulose I-beta (CI) to a highly digestible cellulose IIII (CIII) allomorph and selectively extract up to B45% of the lignin from lignocellulosic biomass with near-quantitative retention of all polysaccharides. EA pretreated corn stover yielded a higher fermentable sugar yield compared to the older Ammonia Fiber Expansion (AFEX) process while using 60% lower enzyme loading. The EA process preserves extracted lignin functionalities, offering the potential to co-produce lignin-derived fuels and chemicals in the biorefinery. The single-stage EA fractionation process achieves high biofuel yields (18.2 kg ethanol per 100 kg untreated corn stover, dry weight basis), comparable to those achieved using ionic liquid pretreatments. The EA process achieves these ethanol yields at industrially-relevant conditions using low enzyme loading (7.5 mg protein per g glucan) and high solids loading (8% glucan, w/v).

1 aSousa, Leonardo, da Costa1 aJin, Mingjie1 aChundawat, Shishir, P. S.1 aBokade, Vijay, V.1 aTang, Xiaoyu1 aAzarpira, Ali1 aLu, Fachuang1 aAvci, Utku1 aHumpula, James1 aUppugundla, Nirmal1 aGunawan, Christa1 aPattathil, Sivakumar1 aCheh, Albert, M.1 aKothari, Ninad1 aKumar, Rajeev1 aRalph, John1 aHahn, Michael, G.1 aWyman, Charles, E.1 aSingh, Seema1 aSimmons, Blake, A.1 aDale, Bruce, E.1 aBalan, Venkatesh uhttps://library.ncl.res.in/content/next-generation-ammonia-pretreatment-enhances-cellulosic-biofuel-production01259nas a2200193 4500008004100000245015300041210006900194260000800263300001400271490000600285520048300291100003000774700002500804700002000829700002400849700002400873700002500897856014300922 2016 eng d00aNickel-catalyzed direct alkynylation of C(sp2)-H bonds of amides: an “inverse sonogashira strategy” to ortho-alkynylbenzoic acids. just accepted0 aNickelcatalyzed direct alkynylation of Csp2H bonds of amides an  cOCT a1946-19510 v63 a

Nickel-catalyzed direct alkynylation of C(sp2)–H bonds of amides using commercially available, inexpensive 8-aminoquinoline as a removable bidentate directing group is described. The present ortho-alkynylation has a broad substrate scope, functional group tolerance and high regiocontrol, and can be scaled up. The efficiency and selectivity of this strategy provide sustainable routes to a diverse array of ortho-alkynylbenzoic acids under Ni(II)-catalyzed conditions.

1 aLandge, Vinod, Gokulkrish1 aShewale, Chinmay, H.1 aJaiswal, Garima1 aSahoo, Manoj, Kumar1 aMidya, Siba, Prasad1 aBalaraman, Ekambaram uhttps://library.ncl.res.in/content/nickel-catalyzed-direct-alkynylation-csp2-h-bonds-amides-%E2%80%9Cinverse-sonogashira-strategy%E2%80%9D00802nas a2200217 4500008004100000245010800041210006900149260000800218300001800226490000600244100002400250700002400274700002800298700002100326700002800347700002300375700001700398700002800415700001800443856012300461 2016 eng d00aNitrogen doping in oxygen-deficient Ca2Fe2O5: a strategy for efficient oxygen reduction oxide catalysts0 aNitrogen doping in oxygendeficient Ca2Fe2O5 a strategy for effic cNOV a34387–343950 v81 aJijil, Chamundi, P.1 aLokanathan, Moorthi1 aChithiravel, Sundaresan1 aNayak, Chandrani1 aBhattacharyya, Dibyendu1 aJha, Shambhu, Nath1 aBabu, P., D.1 aKakade, Bhalchandra, A.1 aDevi, Nandini uhttps://library.ncl.res.in/content/nitrogen-doping-oxygen-deficient-ca2fe2o5-strategy-efficient-oxygen-reduction-oxide02384nas a2200169 4500008004100000245010300041210006900144260000800213300001400221490000700235520175800242100002102000700002102021700002002042700002202062856013002084 2016 eng d00aPassive microrheology in the effective time domain: analysing time dependent colloidal dispersions0 aPassive microrheology in the effective time domain analysing tim cAUG a8167-81760 v123 a

We studied the aging dynamics of an aqueous suspension of LAPONITE (R), a model time dependent soft glassy material, using a passive microrheology technique. This system is known to undergo physical aging during which its microstructure evolves progressively to explore lower free energy states. Optical microscopy is used to monitor the motion of micron-sized tracer probes embedded in a sample kept between two glass plates. The mean square displacements (MSD) obtained from the motion of the tracer particles show a systematic change from a purely diffusive behavior at short aging times to a subdiffusive behavior as the material ages. Interestingly, the MSDs at all the aging times as well as different LAPONITE (R) concentrations superpose remarkably to show a time-aging time master curve when the system is transformed from the real time domain to the effective time domain, which is obtained by rescaling the material clock to account for the age dependent relaxation time. The transformation of the master curve from the effective time domain to the real time domain leads to the prediction of the MSD in real time over a span of 5 decades when the measured data at individual aging times are only over 2 decades. Since the MSD obtained from microrheology is proportional to the creep compliance of a material, by using the Boltzmann superposition principle along with the convolution relation in the effective time domain, we predict the stress relaxation behavior of the system in real time. This work shows that the effective time approach applied to microrheology facilitates the prediction of long time creep and relaxation dynamics of a time dependent soft material by carrying out short time experiments at different aging times.

1 aVyas, Bhavna, M.1 aOrpe, Ashish, V.1 aKaushal, Manish1 aJoshi, Yogesh, M. uhttps://library.ncl.res.in/content/passive-microrheology-effective-time-domain-analysing-time-dependent-colloidal-dispersions02129nas a2200205 4500008004100000022001400041245013500055210006900190260007100259300001200330490000800342520131900350100002301669700002301692700001801715700002001733700002401753700002101777856012501798 2016 eng d a1932-744700aPb2+-N bonding chemistry: recycling of polyaniline-pb nanocrystals waste for generating high-performance supercapacitor electrodes0 aPb2N bonding chemistry recycling of polyanilinepb nanocrystals w a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcJAN a911-9180 v1203 a

Understanding of Pb-N bonding chemistry is not only fundamentally important in the view of relativistic inert-pair effect but also is important for therapeutic as well as environmental applications. In the present study, an unusual reactivity of N-containing pi-conjugated polyaniline emeraldine base (EB) toward aqueous Pb2+ ions has been identified. In the course of sequestering Pb2+ ions by EB, cuboid-shaped nanocrystals were isolated. Synchrotron-based X-ray absorption near-edge structure and extended X-ray absorption fine structure techniques were employed to understand Pb-N bonding chemistry in EB-Pb nanocrystals. The adopted methodology of slow exposure of HCl vapor to EB-Pb nanomaterial facilitated the isolation of polyaniline emeraldine-salt (ES) with unique morphological patterns, porosity and electrical conductivity. The electrochemical device based on recycled ES showed high-capacitance value (similar to 606 F/g @1 A/g and similar to 663 F/g @10 mV/s), high-energy density (similar to 14.8 Wh/kg at power density of similar to 663 W/kg) and excellent-cycling stability (only similar to 15% degradation after 1100 continued cycles at current density of 5 A/g). Notably, ES materials prepared directly from EB and upon exposing HNO3 vapor exhibited greatly inferior device performance.

1 aJha, Plawan, Kumar1 aSingh, Santosh, K.1 aGatla, Suresh1 aMathon, Olivier1 aKurungot, Sreekumar1 aBallav, Nirmalya uhttps://library.ncl.res.in/content/pb2-n-bonding-chemistry-recycling-polyaniline-pb-nanocrystals-waste-generating-high-002129nas a2200205 4500008004100000245011600041210006900157260000800226300002600234490000600260520137700266100002301643700002701666700001801693700002601711700001701737700001601754700002101770856013201791 2016 eng d00aPolyHIPE derived freestanding 3D carbon foam for cobalt hydroxide nanorods based highperformance supercapacitor0 aPolyHIPE derived freestanding 3D carbon foam for cobalt hydroxid cOCT aArticle Number: 354900 v63 aThe current paper describes enhanced electrochemical capacitive performance of chemically grown Cobalt hydroxide (Co(OH)(2)) nanorods (NRs) decorated porous three dimensional graphitic carbon foam (Co(OH)(2)/3D GCF) as a supercapacitor electrode. Freestanding 3D porous GCF is prepared by carbonizing, high internal phase emulsion (HIPE) polymerized styrene and divinylbenzene. The PolyHIPE was sulfonated and carbonized at temperature up to 850 degrees C to obtain graphitic 3D carbon foam with high surface area (389 m(2) g(-1)) having open voids (14 mu m) interconnected by windows (4 mu m) in monolithic form. Moreover, entangled Co(OH)(2) NRs are anchored on 3D GCF electrodes by using a facile chemical bath deposition (CBD) method. The wide porous structure with high specific surface area (520 m(2) g(-1)) access offered by the interconnected 3D GCF along with Co(OH)(2) NRs morphology, displays ultrahigh specific capacitance, specific energy and power. The Co(OH)(2)/3D GCF electrode exhibits maximum specific capacitance about similar to 1235 F g(-1) at similar to 1 Ag-1 charge-discharge current density, in 1 M aqueous KOH solution. These results endorse potential applicability of Co(OH)(2)/3D GCF electrode in supercapacitors and signifies that, the porous GCF is a proficient 3D freestanding framework for loading pseudocapacitive nanostructured materials.1 aPatil, Umakant, M.1 aGhorpade, Ravindra, V.1 aNam, Min, Sik1 aNalawade, Archana, C.1 aLee, Sangrae1 aHan, Haksoo1 aJun, Seong, Chan uhttps://library.ncl.res.in/content/polyhipe-derived-freestanding-3d-carbon-foam-cobalt-hydroxide-nanorods-based-highperformance02556nas a2200277 4500008004100000022001400041245012900055210006900184260009000253490000600343520147700349100002001826700002901846700002401875700002901899700002301928700001601951700002601967700002401993700002202017700002602039700002502065700003702090700002002127856013102147 2016 eng d a2045-232200aPotential dual role of eugenol in inhibiting advanced glycation end products in diabetes: proteomic and mechanistic insights0 aPotential dual role of eugenol in inhibiting advanced glycation  aMACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLANDbNATURE PUBLISHING GROUPcJAN0 v63 a

Medicinally important genus Ocimum harbors a vast pool of chemically diverse metabolites. Current study aims at identifying anti-diabetic candidate compounds from Ocimum species. Major metabolites in O. kilimandscharicum, O. tenuiflorum, O. gratissimum were purified, characterized and evaluated for anti-glycation activity. In vitro inhibition of advanced glycation end products (AGEs) by eugenol was found to be highest. Preliminary biophysical analysis and blind docking studies to understand eugenol-albumin interaction indicated eugenol to possess strong binding affinity for surface exposed lysines. However, binding of eugenol to bovine serum albumin (BSA) did not result in significant change in secondary structure of protein. In vivo diabetic mice model studies with eugenol showed reduction in blood glucose levels by 38% likely due to inhibition of alpha-glucosidase while insulin and glycated hemoglobin levels remain unchanged. Western blotting using anti-AGE antibody and mass spectrometry detected notably fewer AGE modified peptides upon eugenol treatment both in vivo and in vitro. Histopathological examination revealed comparatively lesser lesions in eugenol-treated mice. Thus, we propose eugenol has dual mode of action in combating diabetes; it lowers blood glucose by inhibiting a-glucosidase and prevents AGE formation by binding to epsilon-amine group on lysine, protecting it from glycation, offering potential use in diabetic management.

1 aSingh, Priyanka1 aJayaramaiah, Ramesha, H.1 aAgawane, Sachin, B.1 aVannuruswamy, Garikapati1 aKorwar, Arvind, M.1 aAnand, Atul1 aDhaygude, Vitthal, S.1 aShaikh, Mahemud, L.1 aJoshi, Rakesh, S.1 aBoppana, Ramanamurthy1 aKulkarni, Mahesh, J.1 aThulasiram, Hirekodathakallu, V.1 aGiri, Ashok, P. uhttps://library.ncl.res.in/content/potential-dual-role-eugenol-inhibiting-advanced-glycation-end-products-diabetes-proteomic-002013nas a2200181 4500008004100000245012100041210006900162260000800231300001400239490000800253520131800261100002601579700002801605700002401633700002401657700002101681856012901702 2016 eng d00aPreparation and characterization of microcapsules containing industrially important reactive water-soluble polyamine0 aPreparation and characterization of microcapsules containing ind cDEC a2039-20500 v2943 aPolyurea microcapsules containing water-soluble reactive polyamine, namely, polyaziridine (A33), were prepared by interfacial polymerization technique in non-aqueous medium, wherein (i) A33 was encapsulated for the first time as a neat amine without forming its salt or adduct and (ii) microcapsules formed were without any deleterious effect on A33. A systematic study was conducted by preparing microcapsules with different polyurea wall architectures. Fourier transform infrared (FTIR) and proton nuclear magnetic resonance (H-1 NMR) spectroscopic analysis of extracted A33 from microcapsules do not show any structural changes during microencapsulation. A titration method was developed to analyze the amount of encapsulated A33 quantitatively. Polyurea microcapsules obtained from reaction of ethylene diamine (E) and isophorone diisocyanate (I) monomers have shown better properties such as encapsulation efficiency and extent of agglomeration. Significant reduction in the size was observed when microcapsules of EI wall material were prepared by homogenizing the initial emulsion of A33 in paraffin oil. The process described in this paper for the preparation of microcapsules is cost-effective and industrially viable, which can find applications in agrochemicals, coatings, self-healing composites, etc.1 aShukla, Parshuram, G.1 aJagtap, Siddheshwar, B.1 aBiradar, Satish, C.1 aCharpe, Vaibhav, P.1 aJadhav, Arun, S. uhttps://library.ncl.res.in/content/preparation-and-characterization-microcapsules-containing-industrially-important-reactive02927nas a2200265 4500008004100000022001400041245012800055210006900183260008000252300002400332490000600356520189500362653002602257653003602283653002902319653002402348653002802372100002002400700001802420700002602438700002402464700002202488700002802510856012302538 2016 eng d a2190-573800aPretreatment and enzymatic process modification strategies to improve efficiency of sugar production from sugarcane bagasse0 aPretreatment and enzymatic process modification strategies to im aTIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANYbSPRINGER HEIDELBERGcJUN aArticle Number: 1260 v63 a

Pretreatment and enzymatic hydrolysis play a critical role in the economic production of sugars and fuels from lignocellulosic biomass. In this study, we evaluated diverse pilot-scale pretreatments and different post-pretreatment strategies for the production of fermentable sugars from sugarcane bagasse. For the pretreatment of bagasse at pilot-scale level, steam explosion without catalyst and combination of sulfuric and oxalic acids at low and high loadings were used. Subsequently, to enhance the efficiency of enzymatic hydrolysis of the pretreated bagasse, three different post-pretreatment process schemes were investigated. In the first scheme (Scheme 1), enzymatic hydrolysis was conducted on the whole pretreated slurry, without treatments such as washing or solid-liquid separation. In the second scheme (Scheme 2), the pretreated slurry was first pressure filtered to yield a solid and liquid phase. Following filtration, the separated liquid phase was remixed with the solid wet cake to generate slurry, which was then subsequently used for enzymatic hydrolysis. In the third scheme (Scheme 3), the pretreated slurry was washed with more water and filtered to obtain a solid and liquid phase, in which only the former was subjected to enzymatic hydrolysis. A 10 % higher enzymatic conversion was obtained in Scheme 2 than Scheme 1, while Scheme 3 resulted in only a 5-7 % increase due to additional washing unit operation and solid-liquid separation. Dynamic light scattering experiments conducted on post-pretreated bagasse indicate decrease of particle size due to solid-liquid separation involving pressure filtration provided increased the yield of C6 sugars. It is anticipated that different process modification methods used in this study before the enzymatic hydrolysis step can make the overall cellulosic ethanol process effective and possibly cost effective.

10aDilute acid treatment10aHigh-solid enzymatic hydrolysis10aPilot-scale pretreatment10aPressure filtration10aSolid-liquid separation1 aPal, Siddhartha1 aJoy, Shereena1 aTrimukhe, Kalpana, D.1 aKumbhar, Pramod, S.1 aVarma, Anjani, J.1 aPadmanabhan, Sasisanker uhttps://library.ncl.res.in/content/pretreatment-and-enzymatic-process-modification-strategies-improve-efficiency-sugar01908nas a2200229 4500008004100000022001400041245008200055210006900137260009900206300001200305490000800317520110400325653000901429653001801438653002801456653001401484653000801498100002001506700001801526700002201544856011201566 2016 eng d a0016-236100aProcessing of TGA data: analysis of isoconversional and model fitting methods0 aProcessing of TGA data analysis of isoconversional and model fit aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLANDbELSEVIER SCI LTDcFEB a490-4980 v1653 a

Thermogravimetric analysis (TGA) is routinely used to characterize coal. Apart from proximate analysis, TGA data is also used to characterize kinetics of devolatilization and char combustion. Various methods have been proposed to process the TGA data [isoconversional or model free methods such as Friedman method, Kissinger method, Flynn-Wall-Ozawa method (FWO), Kissinger-Akahira-Sunose method (KAS) or single or multi-reaction models (SRMs/MRMs) and distributed activation energy models (DAEMs)]. In this work, we have critically examined various models for processing TGA data obtained with typical Indian coal. A generalized equation has been proposed to encompass different models as special cases. We have also considered a model based on a possibility of distribution of frequency factor along with constant or distribution of activation energies. The results of TGA data described by different models were critically analyzed. The presented results and methodology will be useful for selecting appropriate strategy for processing TGA data. (C) 2015 Elsevier Ltd. All rights reserved.

10aDAEM10aHigh ash coal10aIsoconversional methods10aPyrolysis10aTGA1 aJain, Ankit, A.1 aMehra, Anurag1 aRanade, Vivek, V. uhttps://library.ncl.res.in/content/processing-tga-data-analysis-isoconversional-and-model-fitting-methods-102505nas a2200253 4500008004100000022001400041245010700055210006900162260010300231300001400334490000700348520151500355100001701870700003901887700002401926700002401950700002501974700002301999700002002022700003202042700002602074700002502100856012602125 2016 eng d a1535-947600aProteomic insight reveals elevated levels of albumin in circulating immunecomplexes in diabetic plasma0 aProteomic insight reveals elevated levels of albumin in circulat a9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3996 USAbAMER SOC BIOCHEMISTRY MOLECULAR BIOLOGY INCcJUN a2011-20200 v153 a

A Hyperglycemic condition in diabetes promotes formation of advanced glycation end products, which are known to elicit immune response and form complexes with immunoglobulins called circulating immune complexes. To investigate the involvement of advanced glycation end product (AGE)-modified proteins in the elicitation of an immune response, circulating immune complexes were isolated and proteins associated were identified and characterized. Label-free-based mass spectrometric analysis of circulating immune complexes in clinical plasma of prediabetic, newly diagnosed diabetes, and diabetic microalbuminurea revealed elevated levels of serum albumin in the circulating immune complexes, which were also observed to be AGE modified. Further, to examine the role of glycation, circulating immune complexeswere analyzed in the streptozotocin-induced diabetic mice treated with or without aminoguanidine, a prototype glycation inhibitor. Mass spectrometric analysis of circulating immune complexes showed elevated levels of serum albumin in plasma from diabetic mice over that of control animals. Aminoguanidine-treated diabetic mice displayed decreased AGE modification of plasma albumin, accompanied by a reduced level of albumin in the circulating immune complexes. In addition, elevated levels of proinflammatory cytokines such as IL-1b, IL-2, and TNF-alpha were observed in diabetes, which were reduced with aminoguanidine treatment, suggesting the involvement of glycation in the immune response.

1 aBhat, Shweta1 aJagadeeshaprasad, Mashanipalya, G.1 aPatil, Yugendra, R.1 aShaikh, Mahemud, L.1 aRegin, Bhaskaran, S.1 aMohan, Viswanathan1 aGiri, Ashok, P.1 aBalasubramanyam, Muthuswamy1 aBoppana, Ramanamurthy1 aKulkarni, Mahesh, J. uhttps://library.ncl.res.in/content/proteomic-insight-reveals-elevated-levels-albumin-circulating-immunecomplexes-diabetic03093nas a2200301 4500008004100000022001400041245012800055210006900183260009900252300001200351490000800363520198800371653002802359653001302387653002002400653001502420653003402435100002002469700002202489700002302511700002002534700002402554700002002578700002202598700001802620700002302638856013002661 2016 eng d a0144-861700aProton play in the formation of low molecular weight chitosan (LWCS) by hydrolyzing chitosan with a carbon based solid acid0 aProton play in the formation of low molecular weight chitosan LW aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLANDbELSEVIER SCI LTDcOCT a417-4250 v1513 a

Low molecular weight chitosan (LWCS) constitute a special class of value added chemicals that are primarily obtained from crustacean shells, which are the main water pollutants from crabs and shrimp processing centers. Unlike chitin and chitosan, LWCS possess improved solubility in water and aqueous solutions, making them widely applicable in numerous fields ranging from drug delivery to waste water treatment. Among the methods employed for their production, chemical breakdown by strong liquid acids has yielded good success. However, this method is met with severe concerns arising from the harsh nature of liquid acids, which may corrode the reactors for commercial synthesis, and their limited reusability. The physical methods like ultrasound and microwave are energy intensive in nature, while the enzymatic methods are expensive and offers limited scope for reuse. We have attempted to overcome these problems by employing carbon based solid acid (CSA) for hydrolyzing chitosan to LWCS. CSA can be easily produced using activated carbon, a cost-effective and easily available raw material. Reactions were carried out between chitosan and CSA in a hydrothermal glass reactor and the products, separated by cold centrifugation, were purified and dried. The dried products were characterized for their molecular weight and solubility. Results indicated more than ten-fold decrease in the molecular weight of chitosan and the product exhibited water solubility. The CSA could be used upto four times, without regeneration, to give a consistent quality product. The aqueous solution of resulting LWCS exhibited a pH of 6.03 +/- 0.11, as against the acidic pH range of solutions of commercially available LWCS, indicating its suitability for biomedical applications. Our investigation facilitates a `green approach' that may be employed for commercial production of value added chemicals from waste products of marine industry. (C) 2016 Elsevier Ltd. All rights reserved.

10aCarbon based solid acid10aChitosan10agreen synthesis10aHydrolysis10aLow molecular weight chitosan1 aKrishnan, Akhil1 aDeshmukh, Pranjal1 aAgarwal, Siddharth1 aPurohit, Poorvi1 aDhoble, Deepa, Arun1 aWaske, Prashant1 aKhandekar, Dileep1 aJain, Ratnesh1 aDandekar, Prajakta uhttps://library.ncl.res.in/content/proton-play-formation-low-molecular-weight-chitosan-lwcs-hydrolyzing-chitosan-carbon-based02201nas a2200229 4500008004100000022001400041245011000055210006900165260000800234300001200242490000700254520141300261100001801674700002101692700001901713700001801732700002301750700002501773700002301798700002101821856012901842 2016 eng d a0894-028200aPyramiding PvPGIP2 and TAXI-III but not PvPGIP2 and PMEI enhances resistance against fusarium graminearum0 aPyramiding PvPGIP2 and TAXIIII but not PvPGIP2 and PMEI enhances cAUG a629-6390 v293 a

Plant protein inhibitors counteract the activity of cell wall degrading enzymes (CWDEs) secreted by pathogens to breach the plant cell-wall barrier. Transgenic plants expressing a single protein inhibitor restrict pathogen infections. However, since pathogens secrete a number of CWDEs at the onset of infection, we combined more inhibitors in a single wheat genotype to reinforce further the cell-wall barrier. We combined polygalacturonase (PG) inhibiting protein (PGIP) and pectin methyl esterase inhibitor (PMEI), both controlling the activity of PG, one of the first CWDEs secreted during infection. We also pyramided PGIP and TAXI-M, a xylanase inhibitor that controls the activity of xylanases, key factors for the degradation of xylan, a main component of cereal cell wall. We demonstrated that the pyramiding of PGIP and PMEI did not contribute to any further improvement of disease resistance. However, the presence of both pectinase inhibitors ensured a broader spectrum of disease resistance. Conversely, the PGIP and TAXI-HI combination contributed to further improvement of Fusarium head blight (FHB) resistance, probably because these inhibitors target the activity of different types of CWDEs, i.e., PGs and xylanases. Worth mentioning, the reduction of FHB symptoms is accompanied by a reduction of deoxynivalenol accumulation with a foreseen great benefit to human and animal health.

1 aTundo, Silvio1 aKalunke, Raviraj1 aJanni, Michela1 aVolpi, Chiara1 aLionetti, Vincenzo1 aBellincampi, Daniela1 aFavaron, Francesco1 aD'Ovidio, Renato uhttps://library.ncl.res.in/content/pyramiding-pvpgip2-and-taxi-iii-not-pvpgip2-and-pmei-enhances-resistance-against-fusarium01790nas a2200217 4500008004100000022001400041245011400055210006900169260011000238300001600348490000600364520091400370100001901284700002501303700002101328700002501349700002201374700002601396700002401422856012601446 2016 eng d a2046-206900aRe-engineering of PIP3-antagonist triazole PITENIN's chemical scaffold: development of novel antifungal leads0 aReengineering of PIP3antagonist triazole PITENINs chemical scaff aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcJAN a11691-117010 v63 a

A novel 4-(1-phenyl-1-hydroxyethyl)-1-(o-hydroxyphenyl)-1H-1,2,3-triazole was designed by integrating the structural features of triazole PITENIN anticancer agents and the azole class of antifungal drugs. A two-step protocol comprising the Barbier propargylation and Cu-catalyzed azide-alkyne cycloaddition was established to synthesise a diverse set of compounds of this class. Their screening against a wide range of human fungal pathogens led to identification of several potential antifungal hits and some of them displayed better antifungal activity than fluconazole against Candida glabrata, Cryptococcus neoformans, Aspergillus fumigatus and Aspergillus niger. Mode of action studies revealed that their antifungal activity was resulting either from the inhibition of lanosterol 14 alpha-demethylase enzyme (leading to ergosterol depletion) or by the generation of reactive oxygen species (ROS).

1 aPulya, Sravani1 aKommagalla, Yadagiri1 aSant, Duhita, G.1 aJorwekar, Shweta, U.1 aTupe, Santosh, G.1 aDeshpande, Mukund, V.1 aRamana, Chepuri, V. uhttps://library.ncl.res.in/content/re-engineering-pip3-antagonist-triazole-pitenins-chemical-scaffold-development-novel-002390nas a2200229 4500008004100000245010500041210006900146260000800215300001200223490000600235520164400241100002101885700001601906700001401922700001501936700001701951700001501968700001201983700001701995700001802012856013002030 2016 eng d00aRelevance of small laboratory animals as models in translational research: challenges and road ahead0 aRelevance of small laboratory animals as models in translational cMAY a198-2090 v63 aTranslational research using small laboratory animals is being done to demonstrate proof of concept, to study pharmacokinetics as well as to understand efficacy and safety of new drug molecules. During the evaluation of a drug candidate, the assessment of efficacy and safety is normally performed in different experiments using various animal models. In such experiments, efficacy is assessed by mimicking the disease state in animal model while safety is investigated in healthy animals. Inventing new drugs using biotechnological and nanotechnological approaches is becoming a major thrust area in drug research. Apart from this, the development of medicine from traditional knowledge like Ayurveda has emerged as major area for drug industry. Use of conventional in-vivo approaches may not prove useful to answer many questions. Transgenic/knock-out/knock-in animals are now getting space in pharmaceutical research for target identification and validation. Predictability of in-vivo research depends on scientific protocols and methods adopted for model selection and development. Various alternative approaches for in-vivo research are being followed. It is a fact that no animal model is 100 % capable of mimicking the complex human body but still, researchers have not yet found any alternative model which can completely replace in-vivo models. This review is a holistic approach explaining the various animal models being used for translational research, animal ethical issues, alternative approaches available and provides a critical analysis of major issues/challenges faced in translational research using in-vivo approaches. 1 aSiddiqui, E., A.1 aJagdale, P.1 aAhire, K.1 aJadhav, S.1 aKhan, S., A.1 aBhosle, S.1 aPal, A.1 aJamdagni, P.1 aChaudhari, B. uhttps://library.ncl.res.in/content/relevance-small-laboratory-animals-models-translational-research-challenges-and-road-ahead01436nas a2200229 4500008004100000022001400041245010700055210006900162260011000231300001600341490000600357520050500363100002200868700003300890700002200923700001900945700002300964700002400987700003501011700002801046856013201074 2016 eng d a2046-206900aResidue dependent hydrogen-bonding preferences in orthanilic acid-based short peptide beta-turn motifs0 aResidue dependent hydrogenbonding preferences in orthanilic acid aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcMAR a35328-353310 v63 a

This communication describes the competition between native beta-turn (C10) and 2-aminobenzenesulfonic acid (SAnt)( orthanilic acid)-based pseudo beta-turn (C11) in their hybrid peptides. Solid-state crystal structure and solution-state NMR studies revealed that C10 and C11 can be simultaneously observed under appropriate conditions. The variable temperature NMR coefficient data suggest that the isolated C11/C14 hydrogen bond is weaker in comparison with the consecutive C10 and C11 turns.

1 aJedhe, Ganesh, S.1 aVijayadas, Kuruppanthara, N.1 aKotmale, Amol, S.1 aSangtani, Ekta1 aShinde, Dinesh, R.1 aGonnade, Rajesh, G.1 aRajamohanan, Pattuparambil, R.1 aSanjayan, Gangadhar, J. uhttps://library.ncl.res.in/content/residue-dependent-hydrogen-bonding-preferences-orthanilic-acid-based-short-peptide-beta-turn02581nas a2200157 4500008004100000022001400041245012300055210006900178260007100247300001600318490000800334520191100342100002102253700002502274856012402299 2016 eng d a1932-744700aRole of primary and secondary surfactant layers on the thermal conductivity of lauric acid coated magnetite nanofluids0 aRole of primary and secondary surfactant layers on the thermal c a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcJUN a11640-116510 v1203 a

Lauric (dodecanoic) acid coated magnetite nanoparticles with different amounts of primary and secondary surfactant layers on the surface of the nanoparticles have been synthesized. Two sets of the surfactant coated nanoparticles are prepared; one with a comparable amount of primary surfactant and the other with a comparable amount of secondary surfactant. Nanofluids are prepared by dispersing the surfactant coated nanoparticles in toluene. Stability of the nanofluids is found to decrease with increasing amount of secondary surfactant on the surface of the nanoparticles, due to the increased hydrophilic nature of the particles in the nonpolar solvent. Thermal conductivity and viscosity of the nanofluids are found to increase with increasing amount of the secondary surfactant layer on the surface of the nanoparticles. The enhanced thermal conductivity for fluids with particles having a larger amount of secondary surfactant is ascribed to the lower dispersibility of the particles in toluene due to the exposure of the acid group of the surfactant to the hydrophobic solvent, leading to aggregation of the particles. Only a small increase in the thermal conductivity is observed for fluids with a larger amount of primary surfactant on the surface of the nanoparticles due to the increased dispersibility owing to the large number of hydrophobic tail groups of the surfactant. A larger enhancement in the thermal conductivity is observed in the presence of a small magnetic field for the fluids containing particles with a lower amount of the secondary surfactant. The overall results suggest that the thermal conductivity of the nanofluids depend on the amount and nature of the primary and secondary surfactants on the dispersed particles which in turn determine the interaction between the base fluid and the surfactant and therefore the dispersibility and stability of the nanofluids.

1 aLenin, Ramanujam1 aJoy, Pattayil, Alias uhttps://library.ncl.res.in/content/role-primary-and-secondary-surfactant-layers-thermal-conductivity-lauric-acid-coated02331nas a2200229 4500008004100000022001400041245013900055210006900194260007300263300001200336490000800348520140400356653003601760653003101796653001801827100002601845700002801871700002101899700002401920700002601944856013101970 2016 eng d a1381-116900aRole of surface synergistic effect on the performance of Ni-based hydrotalcite catalyst for highly efficient hydrogenation of furfural0 aRole of surface synergistic effect on the performance of Nibased aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcJUN a153-1620 v4173 a

The selective vapor phase hydrogenation of furfural at ambient pressure has been investigated using a facile and robust hydrotalcite derived Ni containing mixed oxide catalyst. The systematic characterization results conferred that the difficulty in the reduction of Ni species due to the strong interaction between Ni and support, which facilitated from the homogeneous distribution of hydrotalcite structure. It was also found that the structure and catalytic performance of the catalysts were greatly influenced by Ni loading. Through fine-tuned surface elemental sites and reaction conditions, furfural conversion of 98% with 95% of furfuryl alcohol selectivity was achieved over a MAN-2 catalyst containing two molar ratio of Ni. The results have demonstrated that the incorporation of Mg significantly enhances the Ni-support interaction, Ni dispersion and catalytic performance. The high efficiency of the Ni-based hydrotalcite derived catalyst was mainly attributed to the surface synergistic interaction between the catalytically active metallic Ni sites and the strong basic sites, which furnished an eco-benign and sustainable catalyst for the selective hydrogenation of furfural. Furthermore, the spent catalyst analysis substantiated that no significant difference in the catalyst phase was observed even after 48 h of reaction stream. (C) 2016 Elsevier B.V. All rights reserved.

10aalcohol-hydrotalcites-selective10aBiomass-frurfural-furfuryl10aHydrogenation1 aManikandan, Marimuthu1 aVenugopal, Ashok, Kumar1 aPrabu, Kandasamy1 aJha, Ratnesh, Kumar1 aThirumalaiswamy, Raja uhttps://library.ncl.res.in/content/role-surface-synergistic-effect-performance-ni-based-hydrotalcite-catalyst-highly-efficient01313nas a2200181 4500008004100000245010100041210006900142260000800211300001400219490000700233520065000240100002600890700002900916700002200945700002400967700002200991856011801013 2016 eng d00aSelective synthesis of N-unsubstituted and N-arylindoles by the reaction of arynes with azirines0 aSelective synthesis of Nunsubstituted and Narylindoles by the re cSEP a8604-86110 v813 a

The transition-metal-free and temperature-dependent highly selective reaction of arynes with 2H-azirines allowing the synthesis of either N-unsubstituted or N-arylindoles has been developed. At 60 degrees C, arynes generated from 2-(trimethylsilyl)aryl triflates smoothly insert into 2H-azirines to form 2,3-diarylindoles with high selectivity. Interestingly, when the reaction was performed at -10 degrees C, the selectivity was switched to the formation of 1,2,3-triarylindoles in good yields.

1 aThangaraj, Manikandan1 aBhojgude, Sachin, Suresh1 aJain, Shailja", "1 aGonnade, Rajesh, G.1 aBiju, Akkattu, T. uhttps://library.ncl.res.in/content/selective-synthesis-n-unsubstituted-and-n-arylindoles-reaction-arynes-azirines02113nas a2200169 4500008004100000245015300041210006900194260000800263300001400271490000700285520143100292100002501723700002201748700002401770700002101794856012801815 2016 eng d00aSequence characterization and in silico structure prediction of fatty acid desaturases in linseed varieties with differential fatty acid composition0 aSequence characterization and in silico structure prediction of  cDEC a4896-49060 v963 a

BACKGROUND: Linseed is the richest agricultural source of alpha-linolenic acid (ALA), an omega-3 fatty acid (FA) that offers several nutritional benefits. In the present study, sequence characterization of six desaturase genes (SAD1, SAD2, FAD2, FAD2-2, FAD3A and FAD3B) and 3D structure prediction of their proteins from ten Indian linseed varieties differing in ALA content were performed to determine whether the nucleotide and amino acid (AA) sequence variants have any functional implications in differential accumulation of ALA or other FAs in linseed. RESULTS: The SAD and FAD2 genes exhibited few sequence variations among the ten varieties, forming only one or two protein isoforms. In contrast, the FAD3A and FAD3B genes showed more sequence variations and three or four protein isoforms. Interestingly, the two high-ALA varieties NL260 and Padmini had the same FAD3B nucleotide and protein isoforms, which differed from all other varieties. Surprisingly, no AA changes altered the 3D structures of the desaturase proteins. CONCLUSION: Several nucleotide and AA sequence variations in desaturase genes were observed; however, they did not alter the 3D structure of any desaturase protein and were not correlated with FA levels among the ten linseed varieties, which had different ALA contents. This suggests a complex regulatory process of biosynthesis of FAs in linseed. (C) 2016 Society of Chemical Industry

1 aRajwade, Ashwini, V.1 aJoshi, Rakesh, S.1 aKadoo, Narendra, Y.1 aGupta, Vidya, S. uhttps://library.ncl.res.in/content/sequence-characterization-and-silico-structure-prediction-fatty-acid-desaturases-linseed01574nas a2200193 4500008004100000245006600041210006500107260000800172300001100180490000600191520095100197100002201148700002101170700003001191700002601221700001901247700001901266856009501285 2016 eng d00aSilver nanoparticles: a new perspective in endodontic therapy0 aSilver nanoparticles a new perspective in endodontic therapy cJUN a 77-810 v73 a

Silver has been in use in medicine since time immemorial because of its antimicrobial properties. But due to the emergence of antibiotics the use of silver has been declined. Several pathogenic bacteria have developed resistance against various antibiotics. This has led to reemergence of silver. Recently nano science and nanotechnology are gaining tremendous popularity. The small size of nanoparticles provides larger surface area and hence increases the effectiveness of nanoparticles. Silver nanoparticles are used in medical and dental applications ranging from silver based wound dressings, silver coated medicinal devices like catheters, endotrachial tubes, bone cements, in gels, lotions, cosmetics, in dental restorative materials, endodontic cements, dental implants caries inhibitory agents, and in prosthesis. The purpose of this article is to discuss briefly the potential role of silver nano particles in endodontic therapy.

1 aJadhav, Rajashree1 aBhide, Shrinivas1 aPrasad, Bhagavatula L. V.1 aKunchiraman, Bipinraj1 aShimpi, Jayesh1 aNandhini, Usha uhttps://library.ncl.res.in/content/silver-nanoparticles-new-perspective-endodontic-therapy01025nas a2200169 4500008004100000020002200041245005600063210005500119260009200174520040100266653001800667100001400685700002000699700002200719700002400741856009000765 2016 eng d a978-1-5090-2419-300aSingle SnO2 Nanowire: field emission investigations0 aSingle SnO2 Nanowire field emission investigations a345 E 47th St, New York, NY 10017 USAbIEEE, 345 E 47th St, New York, NY 10017 USAcJUL3 a

The present work deals with the field emission study on multiple SnO2 nanowires synthesized by simple thermal evaporation method. For the realistic analysis of the Fowler Nordheim plot of the semiconducting SnO2, field emission behavior of a single nanowire is studied. A relevant model explaining the field emission mechanism from the single SnO2 nanowire is also proposed by the authors.

10aSnO2 nanowire1 aJoshi, D.1 aJoag, Dilip, S.1 aMulla, Imtiaz, S.1 aLate, Dattatray, J. uhttps://library.ncl.res.in/content/single-sno2-nanowire-field-emission-investigations01950nas a2200169 4500008004100000022001400041245011500055210006900170260009000239300001000329490000600339520125600345100001901601700001801620700002001638856012201658 2016 eng d a2045-232200aStructural insights and functional implications of inter-individual variability in beta(2)-adrenergic receptor0 aStructural insights and functional implications of interindividu aMACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLANDbNATURE PUBLISHING GROUPcAPR a243790 v63 a

The human beta(2)-adrenergic receptor (beta(2)AR) belongs to the G protein-coupled receptor (GPCR) family and due to its central role in bronchodilation, is an important drug target. The inter-individual variability in beta(2)AR has been implicated in disease susceptibility and differential drug response. In this work, we identified nine potentially deleterious non-synonymous single nucleotide polymorphisms (nsSNPs) using a consensus approach. The deleterious nsSNPs were found to cluster near the ligand binding site and towards the G-protein binding site. To assess their molecular level effects, we built structural models of these receptors and performed atomistic molecular dynamics simulations. Most notably, in the Phe290Ser variant we observed the rotameric flip of Trp286(6.48), a putative activation switch that has not been reported in beta(2)AR thus far. In contrast, the variant Met82Lys was found to be the most detrimental to epinephrine binding. Additionally, a few of the nsSNPs were seen to cause perturbations to the lipid bilayer, while a few lead to differences at the G-protein coupling site. We are thus able to classify the variants as ranging from activating to damaging, prioritising them for experimental studies.

1 aTandale, Aditi1 aJoshi, Manali1 aSengupta, Durba uhttps://library.ncl.res.in/content/structural-insights-and-functional-implications-inter-individual-variability-beta201496nas a2200217 4500008004100000022001400041245007700055210006900132260008600201300001000287490000700297520071900304653001701023653002201040653001801062653001601080653003001096100002201126700002501148856010501173 2016 eng d a0732-830300aSulfonated graphene oxide as highly efficient catalyst for glycosylation0 aSulfonated graphene oxide as highly efficient catalyst for glyco a530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USAbTAYLOR & FRANCIS INCcJAN a57-680 v353 a

Heterogeneous sulfonated graphene oxide for the first time has been used as a green and efficient catalyst for atom-economic glycosylation of unprotected, unactivated glycosyl donors or 2,3,4,6-tetra-O-acetylglycosyltrichloroacetimidate with various acceptors basically in the absence of solvent. The unprotected, unactivated glycosyl donors afforded mixtures of alpha- and beta-glycosides, while the 2,3,4,6-tetra-O-acetylglycosyltrichloroacetimidate afforded beta-glycosylated products with high yields and selectivity. The main advantages of this methodology are easy catalyst preparation, no need for dry reagents and reaction conditions, easy catalyst separation and recycling, and high product yields.

10aglycol donor10aglycosyl acceptor10aglycosylation10areusability10aSulfonated graphene oxide1 aThombal, Raju, S.1 aJadhav, Vrushali, H. uhttps://library.ncl.res.in/content/sulfonated-graphene-oxide-highly-efficient-catalyst-glycosylation01813nas a2200289 4500008004100000022001400041245008800055210006900143260009500212300001000307490000800317520080700325653002001132653002501152653001401177653000901191653003301200100002101233700002801254700002401282700002101306700002001327700002601347700001701373700002001390856011301410 2016 eng d a0021-979700aSurface tailored PS/TiO2 composite nanofiber membrane for copper removal from water0 aSurface tailored PSTiO2 composite nanofiber membrane for copper  a525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USAbACADEMIC PRESS INC ELSEVIER SCIENCEcMAY a31-370 v4693 a

Polystyrene (PS)/TiO2 composite nanofiber membranes have been fabricated by electrospinning process for Cu2+ ions removal from water. The surface properties of the polystyrene nanofibers were modulated by introducing TiO2 nanoparticles. The contact angle of the PS nanofiber membrane was found to be decreased with increasing concentration of TiO2, depicted enhanced hydrophilicity. These membranes were highly effective in adsorbing Cu2+ ions from water. The adsorption capacity of these membranes was found to be 522 mg/g, which is significantly higher than the results reported by other researchers. This was attributed to enhanced hydrophilicity of the PS/TiO2 composite nanofiber membranes and effective adsorption property of TiO2 nanoparticles. (C) 2016 Elsevier Inc. All rights reserved.

10aelectrospinning10aMetal ion adsorption10aNanofiber10aTiO210aWater treatment/purification1 aWanjale, Santosh1 aBirajdar, Mallinath, S.1 aJog, Jyoti, Prakash1 aNeppalli, Ramesh1 aCausin, Valerio1 aKarger-Kocsis, Jozsef1 aLee, Jonghwi1 aPanzade, Prasad uhttps://library.ncl.res.in/content/surface-tailored-pstio2-composite-nanofiber-membrane-copper-removal-water01188nas a2200169 4500008004100000245011900041210006900160260000800229300001400237490000700251520053500258100002000793700003000813700002300843700002500866856012700891 2016 eng d00aSustainable Iron-catalyzed direct imine formation by acceptorless dehydrogenative coupling of alcohols with amines0 aSustainable Ironcatalyzed direct imine formation by acceptorless cMAY a3232-32380 v183 a

The Acceptorless Dehydrogenative Coupling (ADC) of alcohols with amines is reported using a heterogeneous Fe-catalyst. The reaction operates under mild conditions with the liberation of dihydrogen and water as the byproducts. The developed ADC strategy is simple, efficient, exhibits wide functional group tolerance and can be scaled up. The present catalytic approach possesses a dual role; acting as a catalyst as well as being magnetically separable. The sustainable reuse of a heterogeneous iron catalyst is also shown.

1 aJaiswal, Garima1 aLandge, Vinod, Gokulkrish1 aJagadeesan, Dinesh1 aBalaraman, Ekambaram uhttps://library.ncl.res.in/content/sustainable-iron-catalyzed-direct-imine-formation-acceptorless-dehydrogenative-coupling02397nas a2200301 4500008004100000022001400041245012900055210006900184260010600253300001200359490000700371520132200378653000601700653000601706653001501712653002001727653001601747653001901763653001801782100002401800700003001824700002401854700002301878700002601901700001901927700002601946856012301972 2016 eng d a0960-894X00aSynthesis and bioactivity of novel triazole incorporated benzothiazinone derivatives as antitubercular and antioxidant agent0 aSynthesis and bioactivity of novel triazole incorporated benzoth aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcJAN a561-5690 v263 a

In search of new active molecules against Mycobacterium tuberculosis (MTB) H37Ra and M. bovis BCG, a small focused library of benzothiazinone based 1,2,3-triazoles has been efficiently prepared via click chemistry approach. Several derivatives were found to be promising inhibitors of MTB and M. bovis BCG characterized by lower MIC values (27.34-29.37 mu g/mL). Among all the synthesized compounds, 6c and 6e is the most active compound against MTB and M. bovis BCG. The compounds were further tested for anti-proliferative activity against HeLa, A549 and A431 cell lines using MTT assay and showed no significant cytotoxic activity at the maximum concentration evaluated. Further, the synthesized compounds were found to have potential antioxidant activity with IC50 range = 14.14-47.11 mu g/mL. Furthermore, to rationalize the observed biological activity data, the molecular docking study also been carried out against a potential target MTB DprE1, which revealed a significant correlation between the binding score and biological activity for these compounds. The results of the in vitro and in silico study suggest that the triazole incorporated benzothiazinone may possess the ideal structural requirements for further development of novel therapeutic agents. (C) 2015 Elsevier Ltd. All rights reserved.

10a110a210a3-Triazole10aADME prediction10aAntioxidant10aAntitubercular10aDocking study1 aShaikh, Mubarak, H.1 aSubhedar, Dnyaneshwar, D.1 aArkile, Manisha, A.1 aKhedkar, Vijay, M.1 aJadhav, Nandadeep, J.1 aSarkar, Dhiman1 aShingate, Bapurao, B. uhttps://library.ncl.res.in/content/synthesis-and-bioactivity-novel-triazole-incorporated-benzothiazinone-derivatives-002396nas a2200241 4500008004100000245010500041210006900146260000800215300001400223490000600237520156300243653002501806653001701831653003201848653002501880100002501905700001701930700001801947700001701965700002101982700002002003856013102023 2016 eng d00aSynthesis and characterization of novel polymer-hybrid silver nanoparticles and its biomedical study0 aSynthesis and characterization of novel polymerhybrid silver nan cJUN a1949-19570 v33 a

Hybrid polymer metal nanoparticles have advantages over conventional metal nanoparticles with respect to their stability, chemical resistance, antibacterial activity and drug delivery properties. In the current work, we have synthesized novel stimuli-responsive polymer hybrid silver nanoparticles using green synthesis method, where the plant extract is used as a reducing agent in the synthesis. Encapsulating metal nanoparticles with stimuli-responsive soft-polymeric system is novel and provides additional versatility whose functions and properties can be tailored by controlling any of the stimuli such as pH, temperature, ionic strength with respect to their antibacterial activity and physiological condition. Moreover, green synthesis methods have advantages over conventional methods involving chemical reducing agents that are often associated with environmental toxicity because of their enhanced antibacterial and other biological effects. The synthesized hybrid particles were characterized using Dynamic light scattering, UV-Visible spectroscopy and Small angle x-ray scattering. Further, we have investigated the antibacterial and cytotoxicity effect of these hybrid particles against different bacterial cells ( Salmonella) and mammalian cell lines (HCT116) respectively. These results are discussed in the light of previous studied work and these results suggest that our synthesized polymer hybrid nanoparticles are more antibacterial and less cytotoxic than the usual silver nanoparticles. (C) 2015Elsevier Ltd.All rights reserved.

10aAntibacterial effect10aCytotoxicity10aPolymeric hybrid particless10asilver nanoparticles1 aVerma, Suresh, Kumar1 aJha, Ealisha1 aKiran, K., J.1 aBhat, Suresh1 aSuar, Mrutyunjay1 aMohanty, P., S. uhttps://library.ncl.res.in/content/synthesis-and-characterization-novel-polymer-hybrid-silver-nanoparticles-and-its-biomedical02327nas a2200313 4500008004100000022001400041245010800055210006900163260010600232300001400338490000700352520125400359653001201613653001201625653001801637653001301655653001901668653001701687100001901704700002201723700002001745700001901765700002401784700001501808700001901823700002301842700002101865856012701886 2016 eng d a0960-894X00aSynthesis and docking studies of pyrazine-thiazolidinone hybrid scaffold targeting dormant tuberculosis0 aSynthesis and docking studies of pyrazinethiazolidinone hybrid s aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcMAY a2224-22280 v263 a

The persistence of Mycobacterium tuberculosis (MTB) in dormant stage assists the pathogen to develop resistance against current antimycobactrial drugs. To address this issue, we report herein the synthesis of N-(4-oxo-2 substituted thiazolidin-3yl) pyrazine-2-carbohydrazide derivatives designed by following the molecular hybridization approach using pyrazine and thiazolidenone scaffolds. The compounds were evaluated against MTB H37Ra and Mycobacterium bovis BCG in dormancy model. Most of the compounds had IC50 values in 0.3-1 mu g/ml range. The active compounds were further tested for anti-proliferative activity against THP-1, Panc-1, A549, and MCF-7 cell lines using MTT assay and exhibited no significant cytotoxicity. We also report molecular docking studies using active analogs and MTB Decaprenylphosphoryl-beta-D-ribose-2'-epimerase (DprE1) to rationalize the biological activity and to provide an insight into the probable mechanism of action and binding mode of hybridized structures. The results obtained validate the use of molecular hybridization approach and also suggest that reported compounds can provide a novel pharmacophore to synthesize lead compounds against dormat MTB. (C) 2016 Elsevier Ltd. All rights reserved.

10adocking10aDormant10aHybrid design10aPyrazine10aThiazolidenone10atuberculosis1 aChitre, T., S.1 aAsgaonkar, K., D.1 aMiniyar, P., B.1 aDharme, A., B.1 aArkile, Manisha, A.1 aYeware, A.1 aSarkar, Dhiman1 aKhedkar, Vijay, M.1 aJha, Prakash, C. uhttps://library.ncl.res.in/content/synthesis-and-docking-studies-pyrazine-thiazolidinone-hybrid-scaffold-targeting-dormant00941nas a2200229 4500008004100000022001400041245012400055210006900179260011000248300000800358490000600366100002500372700002500397700002100422700002200443700002300465700002400488700002600512700002300538700001900561856013100580 2016 eng d a2040-250300aSynthesis and evaluation of thieno[2,3-d]pyrimidin-4(3H)-ones as potential antitubercular agents (vol 6, pg 2209, 2015)0 aSynthesis and evaluation of thieno23dpyrimidin43Hones as potenti aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcDEC a3790 v71 aBorate, Hanumant, B.1 aAnnadate, Ritesh, A.1 aVagh, Sandip, S.1 aPisal, Mahesh, M.1 aDeokate, Sagar, B.1 aArkile, Manisha, A.1 aJadhav, Nandadeep, J.1 aNawale, Laxman, U.1 aSarkar, Dhiman uhttps://library.ncl.res.in/content/synthesis-and-evaluation-thieno23-dpyrimidin-43h-ones-potential-antitubercular-agents-vol-102225nas a2200301 4500008004100000022001400041245013400055210006900189260006900258300001200327490000800339520114800347653003001495653001901525653001901544653002301563653003501586653003801621653001701659100001501676700001801691700001601709700001701725700001401742700002401756700002201780856012101802 2016 eng d a0254-058400aSynthesis and self-assembly of dumbbell shaped ZnO sub-micron structures using low temperature chemical bath deposition technique0 aSynthesis and selfassembly of dumbbell shaped ZnO submicron stru aPO BOX 564, 1001 LAUSANNE, SWITZERLANDbELSEVIER SCIENCE SAcFEB a152-1570 v1693 a

We report well dispersed horizontal growth of ZnO sub-micron structures using simplest technique ever known i.e. chemical bath deposition (CBD). A set of samples were prepared under two different cases A) dumbbell shaped ZnO grown in CBD bath and B) tubular ZnO structures evolved from dumbbell shaped structures by dissolution mechanism. Single phase wurtzite ZnO formation is confirmed using X-ray diffraction (XRD) technique in both cases. From the morphological investigations performed using scanning electron microscopy (SEM), sample prepared under case A indicate formation of hex bit tool (HBT) shaped ZnO crystals, which observed to self-organize to form dumbbell structures. Further these microstructures are then converted into tubular structures as a fragment of post CBD process. The possible mechanism responsible for the self-assembly of HBT units to form dumbbell structures is discussed. Observed free excitonic peak located at 370 nm in photoluminescence (PL) spectra recorded at 18 K indicate that the micro/nanostructures synthesized using CBD are of high optical quality. (C) 2015 Elsevier B.V. All rights reserved.

10aElectron microscopy (STEM10aMicrostructure10aNanostructures10aOptical properties10aPhotoluminescence spectroscopy10aRaman spectroscopy and scattering10aTEM and SEM)1 aBorade, P.1 aJoshi, K., U.1 aGokarna, A.1 aLerondel, G.1 aWalke, P.1 aLate, Dattatray, J.1 aJejurikar, S., M. uhttps://library.ncl.res.in/content/synthesis-and-self-assembly-dumbbell-shaped-zno-sub-micron-structures-using-low-001597nas a2200181 4500008004100000245012800041210006900169260000800238490000700246520089100253100002801144700001801172700001801190700002601208700002501234700002601259856013001285 2016 eng d00aSynthesis and study of calixarene-doped polypyrrole-TiO2/ZnO composites: antimicrobial activity and electrochemical sensors0 aSynthesis and study of calixarenedoped polypyrroleTiO2ZnO compos cJAN0 v233 aThe present communication describes the synthesis of an electroactive nanocomposite of calixarene- doped polypyrrole ( PPY) containing an oxide of Ti/ Zn. The additive TiO2/ ZnO serves as an oxidizing agent for the polymerization, thus avoiding the use of hazardous organic solvents while calixarene doping stabilizes the polymer. The materials synthesized herein were characterized by UV- visible spectroscopy, FT- IR spectroscopy, scanning electron microscopy ( SEM), transmission electron microscopy ( TEM), energy- dispersive X- ray spectroscopy ( EDX), X- ray photoelectron spectroscopy ( XPS), and cyclic voltammetry ( CV) of synthesized nanocomposites. It was revealed that the resulting calixarene- doped polypyrrole- TiO2/ ZnO nanocomposite has ( 1) long- time stability, ( 2) significant electrochemical activity for sensing formaldehyde, and ( 3) good antimicrobial activity.1 aWaghmode, Babasaheb, J.1 aHusain, Zahid1 aJoshi, Meenal1 aSathaye, Shivaram, D.1 aPatil, Kashinath, R.1 aMalkhede, Dipalee, D. uhttps://library.ncl.res.in/content/synthesis-and-study-calixarene-doped-polypyrrole-tio2zno-composites-antimicrobial-activity02019nas a2200265 4500008004100000022001400041245015300055210006900208260007400277300001400351490000700365520100300372653002201375653001601397653001801413653002101431653003601452100002401488700002201512700002301534700002101557700001901578700002601597856013001623 2016 eng d a0922-616800aSynthesis, biological evaluation and molecular docking studies of N-acylheteroaryl hydrazone derivatives as antioxidant and anti-inflammatory agents0 aSynthesis biological evaluation and molecular docking studies of aVAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDSbSPRINGERcMAR a2707-27290 v423 a

In search of new therapeutics with greater potency, three new series of 3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carbohydrazide derivatives have been synthesized and evaluated for their in vitro antioxidant and anti-inflammatory activities. The hydrazones bearing a core pyrazole, chromone and tetrazolo[1,5-a]quinoline scaffold showed promising activities. Interestingly, compounds 3a (EC50 = 06.00 +/- A 2.36) and 5c (EC50 = 07.21 +/- A 0.67) showed the most potent antioxidant activity, while compounds 3a (EC50 = 10.25 +/- A 1.08), 7b (EC50 = 10.50 +/- A 0.99) and 7c (EC50 = 11.18 +/- A 0.15) showed significant anti-inflammatory activity. Furthermore, molecular docking studies also revealed a significant correlation between the binding score and biological activity for these compounds to describe the molecular basis for the structure activity relationship (SAR) results. As these compounds are good cyclooxygenase inhibitors, isoenzyme inhibitory potency studies are warranted.

10aAnti-inflammatory10aAntioxidant10aDocking study10aN-Acylhydrazones10aStructure-activity relationship1 aMahajan, Pravin, S.1 aNikam, Mukesh, D.1 aKhedkar, Vijay, M.1 aJha, Prakash, C.1 aSarkar, Dhiman1 aGill, Charansingh, H. uhttps://library.ncl.res.in/content/synthesis-biological-evaluation-and-molecular-docking-studies-n-acylheteroaryl-hydrazone-102543nas a2200325 4500008004100000022001400041245016900055210006900224260010700293300001400400490000700414520138800421653000601809653000601815653001701821653002801838653001701866653001101883653002201894653001301916100001801929700001901947700001801966700001901984700001902003700002302022700002102045700001902066856013202085 2016 eng d a0960-894X00aSynthesis, biological evaluation and molecular docking study of some novel indole and pyridine based 1,3,4-oxadiazole derivatives as potential antitubercular agents0 aSynthesis biological evaluation and molecular docking study of s aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcAPR  a1776-17830 v263 a

A series of indole and pyridine based 1,3,4-oxadiazole derivatives 5a-t were synthesized and evaluated for their in vitro antitubercular activity against Mycobacterium tuberculosis H37Ra (MTB) and Mycobacterium bovis BCG both in active and dormant state. Compounds 5b, 5e, 5g and 5q exhibited very good antitubercular activity. All the newly synthesized compounds 5a-t were further evaluated for antiproliferative activity against HeLa, A549 and PANC-1 cell lines using modified MTT assay and found to be noncytotoxic. On the basis of cytotoxicity and MIC values against Mycobacterium bovis BCG, selectivity index (SI) of most active compounds 5b, 5e, 5g and 5q was calculated (SI = GI(50)/MIC) in active and dormant state. Compounds 5b, 5e and 5g demonstrated SI values >= 10 against all three cell lines and were found to safe for advance screening. Compounds 5a-t were further screened for their antibacterial activity against four bacteria strains to assess their selectivity towards MTB. In addition, the molecular docking studies revealed the binding modes of these compounds in active site of enoyl reductase (InhA), which in turn helped to establish a structural basis of inhibition of mycobacteria. The potency, low cytotoxicity and selectivity of these compounds make them valid lead compounds for further optimization. (C) 2016 Elsevier Ltd. All rights reserved.

10a110a310a4-Oxadiazole10aAntitubercular activity10aCytotoxicity10aIndole10aMolecular docking10aPyridine1 aDesai, N., C.1 aSomani, Hardik1 aTrivedi, Amit1 aBhatt, Kandarp1 aNawale, Laxman1 aKhedkar, Vijay, M.1 aJha, Prakash, C.1 aSarkar, Dhiman uhttps://library.ncl.res.in/content/synthesis-biological-evaluation-and-molecular-docking-study-some-novel-indole-and-pyridine-002411nas a2200289 4500008004100000022001400041245014300055210006900198260008300267300001200350490000700362520141000369653000601779653000601785653001701791653002701808653001701835653001301852653001301865653000901878100001801887700002101905700002001926700002301946700002101969856013101990 2016 eng d a1054-252300aSynthesis, biological valuation, and QSAR studies of novel pyrazole bearing pyridyl oxadiazole analogues as potential antimicrobial agents0 aSynthesis biological valuation and QSAR studies of novel pyrazol a233 SPRING STREET, 6TH FLOOR, NEW YORK, NY 10013 USAbSPRINGER BIRKHAUSERcAPR a712-7270 v253 a

A new series of 1-(2-(3-(4-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)-5-(pyridin-4-yl)-1,3,4 -oxadiazol-3(2H)-yl)-3-(aryl)prop-2-en-1-ones (5a-l) were synthesized by a simple and efficient synthetic protocol. The newly synthesized compounds were characterized by IR, H-1 NMR, C-13 NMR and Mass spectroscopy. The resulting structural diversity was screened for its antimicrobial activity the following bacterial and fungal strains: two Gram-positive bacteria [Staphylococcus aureus (MTCC-96), Streptococcus pyogenes (MTCC-442)], two Gram-negative bacteria [Escherichia coli (MTCC-443), Pseudomonas aeruginosa (MTCC-1688)] and three fungal species (C. albicans, A. niger and A. clavatus). Following this, in vitro cytotoxicity activity against HeLa cell lines was measured by MTT [3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazoliumbromide] assay. The observations derived from the diverse assays were utilized for building classification models based on a binary QSAR approach termed recursive partitioning (RP) analysis to probe the physic-chemical properties influencing the SAR for molecules. The decision tree derived from RP analysis could highlight structural characteristics that discriminate the actives from inactives which can serve as guide to design molecules with improved potency. In silico ADME predictions were performed to gauge their pharmacokinetic, safety and drug likeness profile.

10a110a310a4-Oxadiazole10aAntimicrobial activity10aCytotoxicity10aPyrazole10aPyridine10aQSAR1 aDesai, N., C.1 aKotadiya, G., M.1 aTrivedi, A., R.1 aKhedkar, Vijay, M.1 aJha, Prakash, C. uhttps://library.ncl.res.in/content/synthesis-biological-valuation-and-qsar-studies-novel-pyrazole-bearing-pyridyl-oxadiazole-101062nas a2200157 4500008004100000245005400041210005300095260000800148300001400156490000800170520060500178100001700783700001900800700000500819856008000824 2016 eng d00aSynthesis of fuel intermediates from HMF/fructose0 aSynthesis of fuel intermediates from HMFfructose cOCT a1984-19900 v1463 aAlkylation of toluene, anisole and mesitylene with HMF and fructose is reported using Glu–Fe3O4–SO3H solid acid catalyst. HMF was found to alkylate toluene, anisole and mesitylene in high yields and high selectivity under solvent free conditions. Polyalkylation and self etherification of HMF was not observed. The alkylated product on hydrodeoxygenation forms liquid alkanes of different chain lengths which have properties of transportation fuels or diesel fuels. The catalyst was easily recoverable and reusable minimum 5 times to achieve good yields and high selectivity of alkylated product.1 aNale, S., D.1 aJadhav, V., H.1 a uhttps://library.ncl.res.in/content/synthesis-fuel-intermediates-hmffructose02123nas a2200277 4500008004100000022001400041245016400055210006900219260007300288300001000361490000800371520109900379653001901478653002301497653001401520653002401534653001801558653002001576100002001596700002201616700001501638700002701653700001801680700001801698856012901716 2016 eng d a0167-577X00aSynthesis of Sn-containing anatase (TiO2) by sol-gel method and their performance in catalytic water splitting under visible light as a function of tin content0 aSynthesis of Sncontaining anatase TiO2 by solgel method and thei aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcMAY a50-540 v1713 a

Sol-gel route was employed to prepare a series of Sn-containing anatase with different molar (Ti/Sn) ratios ranging from 49 to 1. Samples were characterized by powder XRD, UV-vis, XPS, SEM, EDAX, low temperature N-2 sorption technique and Raman Spectroscopy. Except anatase phase, no other crystalline phase was observed when Ti/Sn molar ratio was varied from 49 to 9 and for Sn free sample. However, further decrease in the ratio lead to the appearance of additional SnO2 phase whose peak intensities were increased with the increase in the tin content. Irrespective of tin content, all samples showed red-shift in UV-vis spectra. Moreover, samples showed Raman shift to higher vibration side from 143 cm(-1) to 147 cm(-1) indicating the doping of Sn2+ into TiO2. By virtue of low band gap, anatase crystallite size and an absence of XRD visible SnO2, ST (19) has shown maximum photocatalytic activity upon 1 wt% Pt loading. It has exhibited the highest rate (0.1264 mmole/g/h) for visible light induced hydrogen evolution by water splitting. (C) 2016 Elsevier B.V. All rights reserved.

10aSemiconductors10aSn2+ doped titania10aSnO2/TiO210aSol-gel preparation10avisible light10awater splitting1 aTangale, N., P.1 aNiphadkar, P., S.1 aSamuel, V.1 aDeshpande, Suvarna, S.1 aJoshi, P., N.1 aAwate, S., V. uhttps://library.ncl.res.in/content/synthesis-sn-containing-anatase-tio2-sol-gel-method-and-their-performance-catalytic-water00932nas a2200145 4500008004100000245006000041210005900101260000800160300001400168490000700182520046900189100001700658700001900675856009200694 2016 eng d00aSynthesis of tyrosyl-DNA phosphodiesterase i inhibitors0 aSynthesis of tyrosylDNA phosphodiesterase i inhibitors cJUN a2652-26540 v573 aThe first report for the synthesis of tyrosyl-DNA phosphodiesterase I inhibitors 3,4-dimethoxyphenol-1-β-d-(6′-O-galloyl)glucopyranoside 3 and 3-(4-hydroxy-3-methoxyphenyl)propane-1,2-diol 2-β-d-(6′-O-galloyl) glucopyranoside 5 has been accomplished starting from readily available d-glucose as a starting material. An efficient and general approach has been reported for the synthesis of compounds 3 and 5 with an overall yield of 26% and 27%, respectively.1 aNale, S., D.1 aJadhav, V., H. uhttps://library.ncl.res.in/content/synthesis-tyrosyl-dna-phosphodiesterase-i-inhibitors02720nas a2200289 4500008004100000022001400041245015100055210006900206260008100275300002200356490000700378520163500385653001302020653001402033653001402047653002102061653001002082653002202092100003902114700002502153700002502178700002002203700002302223700002902246700002502275856013002300 2016 eng d a1542-641600aTargeted quantification of N-1-(carboxymethyl) valine and N-1-(carboxyethyl) valine peptides of beta-hemoglobin for better diagnostics in diabetes0 aTargeted quantification of N1carboxymethyl valine and N1carboxye a236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLANDbBIOMED CENTRAL LTDcMAR aArticle Number: 70 v133 a

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

10aDiabetes10aDiagnosis10aGlycation10aGlycemic control10aHbA1c10aMass spectrometry1 aJagadeeshaprasad, Mashanipalya, G.1 aBatkulwar, Kedar, B.1 aMeshram, Nishita, N.1 aTiwari, Shalbha1 aKorwar, Arvind, M.1 aUnnikrishnan, Ambika, G.1 aKulkarni, Mahesh, J. uhttps://library.ncl.res.in/content/targeted-quantification-n-1-carboxymethyl-valine-and-n-1-carboxyethyl-valine-peptides-beta01976nas a2200169 4500008004100000245009500041210006900136260000800205300001400213490000600227520135800233100002201591700001801613700002401631700002401655856012701679 2016 eng d00aTemperature dependent raman spectroscopy and sensing behavior of few layer SnSe2nanosheets0 aTemperature dependent raman spectroscopy and sensing behavior of cOCT a5380-53870 v13 aTwo- dimensional (2D) tin diselenide (SnSe2) nanosheets were synthesized using solvothermal route in one step and perform its humidity sensing, photo sensing and temperature dependant Raman spectroscopy studies. The sensor devices based on few layer SnSe2 nanosheets were prepared and which shows fast response as well as recovery time along with good long-term stability and high sensitivity. The photo sensing behavior shows the typical response time and recovery time to be similar to 310 ms and similar to 340 ms respectively for visible light illumination. The room temperature humidity sensing behaviors were studied in the range of 11-97% relative humidity (RH). The ob-served sensitivity of similar to 81% with response time of similar to 74 sec and recovery time of similar to 30 sec were calculated for the few layer SnSe2 nanosheets based humidity sensor. The humidity sensing results confirms the high stability of the device even after six months of time. The temperature dependent Raman spectroscopy investigation in the range of 80 K to 593 K were carried out which shows the negative temperature coefficient and softening of Raman modes as we increases the temperature. The softening modes of SnSe2 nanosheets due to temperature were explained on the basis of a double resonance process which is more active in an atomically thin sample.1 aPawbake, Amit, S.1 aDate, Abhijit1 aJadkar, Sandesh, R.1 aLate, Dattatray, J. uhttps://library.ncl.res.in/content/temperature-dependent-raman-spectroscopy-and-sensing-behavior-few-layer-snse2nanosheets01234nas a2200157 4500008004100000245011500041210006900156260000800225490000600233520061800239100002200857700002400879700002400903700002400927856012500951 2016 eng d00aTemperature dependent Raman spectroscopy of electrochemically exfoliated few layer black phosphorus nanosheets0 aTemperature dependent Raman spectroscopy of electrochemically ex cAUG0 v63 aThe present investigation deals with temperature dependant Raman spectroscopy of electrochemically exfoliated few layer black phosphorus nanosheets. The temperature dependent study illustrates that softening of the A(g)(1), B-2g and A(g)(2) modes occurs as the temperature increases from 78 K to 573 K. The calculated temperature coefficients for the A(g)(1), B-2g and A(g)(2) modes were found to be -0.028 cm(-1) K-1, -0.028 cm(-1) K-1 and -0.018 cm(-1) K-1 respectively. The observed phenomenon can be utilized for characterizing other emerging two-dimensional inorganic layered materials with atomic thickness.1 aPawbake, Amit, S.1 aErande, Manisha, B.1 aJadkar, Sandesh, R.1 aLate, Dattatray, J. uhttps://library.ncl.res.in/content/temperature-dependent-raman-spectroscopy-electrochemically-exfoliated-few-layer-black01572nas a2200181 4500008004100000245010500041210006900146260000800215300001400223490000700237520090200244100001501146700001601161700002701177700002901204700003001233856012701263 2016 eng d00aThree way catalytic converter reactions aspects at near ambient temperatures on modified pd-surfaces0 aThree way catalytic converter reactions aspects at near ambient  cOCT a1363-13690 v193 a

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

1 aRoy, Kanak1 aJain, Ruchi1 aGhosalya, Manoj, Kumar1 aReddy, Kasala, Prabhakar1 aGopinath, Chinnakonda, S. uhttps://library.ncl.res.in/content/three-way-catalytic-converter-reactions-aspects-near-ambient-temperatures-modified-pd-001353nas a2200205 4500008004100000022001400041245010200055210006900157260007100226300001400297490000700311520055800318100001800876700002700894700002500921700002600946700002400972700002100996856013001017 2016 eng d a1523-706000aTotal synthesis of the marine natural product solomonamide B necessitates stereochemical revision0 aTotal synthesis of the marine natural product solomonamide B nec a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcJUL a3178-31810 v183 a

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

1 aKashinath, K.1 aJachak, Gorakhnath, R.1 aAthawale, Paresh, R.1 aMarelli, Udaya, Kiran1 aGonnade, Rajesh, G.1 aReddy, Srinivasa uhttps://library.ncl.res.in/content/total-synthesis-marine-natural-product-solomonamide-b-necessitates-stereochemical-revision01372nas a2200169 4500008004100000245009700041210006900138260000800207300001600215490000600231520075600237100001800993700002201011700002401033700002001057856012501077 2016 eng d00aUnified strategy for nickel-catalyzed C-2 Alkylation of indoles through chelation assistance0 aUnified strategy for nickelcatalyzed C2 Alkylation of indoles th cJUL a5666–56720 v63 a

A nickel-catalyzed direct C-2 alkylation of indoles through monodentate-chelation assistance has been described. This reaction proceeds via an unusual strategy by the use of a well-designed and defined (quinolinyl)amido–nickel catalyst, [{κN,κN,κN-Et2NCH2C(O)(μ-N)C9H6N}Ni(OAc)], providing a solution to the limitations associated with bidentate-chelate auxiliaries. The method allows coupling of indoles with various unactivated primary and secondary alkyl halides with ample substrate scope. This uniquely strategized alkylation proceeded through crucial C–H activation and via an alkyl radical intermediate. The reaction by this approach represents a rare example of Ni-catalyzed monodentate-chelate-assisted C–H functionalization.

1 aSoni, Vineeta1 aJagtap, Rahul, A.1 aGonnade, Rajesh, G.1 aPunji, Benudhar uhttps://library.ncl.res.in/content/unified-strategy-nickel-catalyzed-c-2-alkylation-indoles-through-chelation-assistance02689nas a2200181 4500008004100000022001400041245012000055210006900175260011000244300001400354490000700368520191700375100001902292700002702311700001702338700002502355856012702380 2016 eng d a1463-907600aUnraveling origins of the heterogeneous curvature dependence of polypeptide interactions with carbon nanostructures0 aUnraveling origins of the heterogeneous curvature dependence of  aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcFEB a5910-59240 v183 a

Emerging nanotechnology has rapidly broadened interfacial prospects of biological molecules with carbon nanomaterials (CNs). A prerequisite for effectively harnessing such hybrid materials is a multifaceted understanding of their complex interfacial interactions as functions of the physico-chemical characteristics and the surface topography of the individual components. In this article, we address the origins of the curvature dependence of polypeptide adsorption on CN surfaces (CNSs), a phenomenon bearing an acute influence upon the behavior and activity of CN-protein conjugates. Our benchmark molecular dynamics (MD) simulations with the amphiphilic full-length amyloid beta (A beta) peptide demonstrate that protein adsorption is strongest on the concave (inner) CN-surface, weakest on the convex (outer) surface, and intermediary on the planar surface, in agreement with recent experimental reports. The curvature effects, however, are found to manifest non-uniformly between the amino acid subtypes. To understand the underlying interplay of the chemical nature of the amino acids and surface topography of the CNs, we performed high-level quantum chemical (QM) calculations with amino acid analogs (MA) representing their five prominent classes, and convex, concave and planar CN fragments. Molecular electrostatic potential maps reveal pronounced curvature dependence in the mixing of electron densities, and a resulting variance in the stabilization of the non-covalentty bound molecular complexes. Interestingly, our study revealed that the interaction trends of the high-level QM calculations were captured well by the empirical force field. The findings in this study have important bearing upon the design of carbon based bio-nanomaterials, and additionally, provide valuable insights into the accuracy of various computational techniques for probing non-bonded interfacial interactions.

1 aJana, Asis, K.1 aTiwari, Mrityunjay, K.1 aVanka, Kumar1 aSengupta, Neelanjana uhttps://library.ncl.res.in/content/unraveling-origins-heterogeneous-curvature-dependence-polypeptide-interactions-carbon-002659nas a2200277 4500008004100000022001400041245011000055210006900165260011100234300001200345490000700357520164400364653000902008653001202017653002202029653003602051653002602087653002202113653000902135100002202144700001902166700002902185700002202214700002502236856012002261 2016 eng d a1386-207300aVirtual screening techniques to probe the antimalarial activity of some traditionally used phytochemicals0 aVirtual screening techniques to probe the antimalarial activity  aEXECUTIVE STE Y-2, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATESbBENTHAM SCIENCE PUBL LTDcJUL a572-5910 v193 a

Malaria parasites show resistance to most of the antimalarial drugs and hence developing antimalarials which can act on multitargets rather than a single target will be a promising strategy of drug design. Here we report a new approach by which virtual screening of 292 unique phytochemicals present in 72 traditionally important herbs is used for finding out inhibitors of plasmepsin-2 and falcipain-2 for antimalarial activity against P. falciparum. Initial screenings of the selected molecules by Random Forest algorithm model of Weka using the bioassay datasets AID 504850 and AID 2302 screened 120 out of the total 292 phytochemicals to be active against the targets. Toxtree scan cautioned 21 compounds to be either carcinogenic or mutagenic and were thus removed for further analysis. Out of the remaining 99 compounds, only 46 compounds offered drug-likeness as per the `rule of five' criteria. Out of ten antimalarial drug targets, only two target proteins such as 3BPF and 3PNR of falcipain-2 and 1PFZ and 2BJU of plasmepsin-2 are selected as targets. The potential binding of the selected 46 compounds to the active sites of these four targets was analyzed using MOE software. The docked conformations and the interactions with the binding pocket residues of the target proteins were understood by `Ligplot' analysis. It has been found that 8 compounds are dual inhibitors of falcipain-2 and plasmepsin-2, with the best binding energies. Compound 117 (6aR, 12aS)-12a-Hydroxy-9-methoxy-2,3-dimethylenedioxy-8-prenylrotenone (Usaratenoid C) present in the plant Millettia usaramensis showed maximum molecular docking score.

10aADME10amalaria10aMolecular docking10amolecular operating environment10aPlasmodium falciparum10avirtual screening10aweka1 aShibi, Indira, G.1 aAswathy, Lilly1 aJisha, Radhakrishnan, S.1 aMasand, Vijay, H.1 aGajbhiye, Jayant, M. uhttps://library.ncl.res.in/content/virtual-screening-techniques-probe-antimalarial-activity-some-traditionally-used02159nas a2200205 4500008004100000020004100041022001400082245006900096210006800165260009100233300001200324490000800336520140300344100002001747700001801767700002601785700002801811700001501839856009901854 2016 eng d a978-0-12-803612-9; 978-0-12-803595-5 a0091-679X00aWhat can simulations tell us about GPCRs: integrating the scales0 aWhat can simulations tell us about GPCRs integrating the scales a525 B Street, Suite 1900, San Diego, CA 92101-4495 USA :bElsevier Academic Press Inc. a429-4520 v1323 a

The functional dynamics of G protein-coupled receptors (GPCRs) encompasses multiple spatiotemporal scales, ranging from femtoseconds to seconds and Angstroms to micrometers. Computational approaches, often in close collaboration with experimental methods, have been invaluable in unraveling GPCR structure and dynamics at these various hierarchical levels. The binding of natural and synthetic ligands to the wild-type and naturally occurring variant receptors have been analyzed by several computational methods. The activation of receptors from the inactive to the active state has been investigated by atomistic simulations and ongoing work on several receptors will help uncover general and receptor-specific mechanisms. The interaction of GPCRs with complex membranes that contain phospholipids and cholesterol have been probed by coarse-grain methods and shown to directly influence receptor association. In this chapter, we discuss computational approaches that have been successful in analyzing each scale of GPCR dynamics. An overview of these approaches will allow a more judicious choice of the appropriate method. We hope that an appreciation of the power of current computational approaches will encourage more critical collaborations. A comprehensive integration of the different approaches over the entire spatiotemporal scales promises to unravel new facets of GPCR function.

1 aSengupta, Durba1 aJoshi, Manali1 aAthale, Chaitanya, A.1 aChattopadhyay, Amitabha1 aShukla, AK uhttps://library.ncl.res.in/content/what-can-simulations-tell-us-about-gpcrs-integrating-scales01701nas a2200229 4500008004100000245012700041210006900168260000800237300001200245490000800257520089500265100001801160700002101178700002001199700002101219700002001240700001801260700002401278700001801302700002001320856013101340 2016 eng d00aWide band gap and conducting tungsten carbide(WC) thin films prepared by hot wire chemical vapor deposition(HW-CVD) method0 aWide band gap and conducting tungsten carbideWC thin films prepa cNOV a315-3170 v1833 a

In this letter, we report synthesis of tungsten carbide (WC) thin films having wide band gap(3.22-3.3 eV) with high electrical conductivity (80-1260 S/cm) by HW-CVD using heated using heated W filament and Tetra-fluoro-methane (CF4) gas. Formation of WC was confirmed by low angle XRD, Raman spectroscopy and x-ray photoelectron spectroscopy. UV-Visible spectroscopy analysis revealed that the synthesized films have high transmission at wavelength 500 nm. Electrical properties measured using Hall measurement show that these films are semiconductor. The obtained results imply that the growth of WC thin films is mainly from the atomic species(W and C) evaporated from the hot filament. The HW-CVD opens a novel route to synthesize wide band gap and conducting WC at a cost-efficient way for DSSCs and hydrogen evolution reaction (HER). (C) 2016 Elsevier B. V. All rights reserved.

1 aPawbake, Amit1 aWaykar, Ravindra1 aJadhavar, Ashok1 aKulkarni, Rupali1 aWaman, Vaishali1 aDate, Abhijit1 aLate, Dattatray, J.1 aPathan, Habib1 aJadkar, Sandesh uhttps://library.ncl.res.in/content/wide-band-gap-and-conducting-tungsten-carbidewc-thin-films-prepared-hot-wire-chemical-vapor01854nas a2200181 4500008004100000245010700041210006900148260000800217300001200225490000800237520118700245100002301432700002001455700002201475700002601497700002401523856012501547 2017 eng d00a4-Phenyl quinoline derivatives as potential serotonin receptor ligands with antiproliferative activity0 a4Phenyl quinoline derivatives as potential serotonin receptor li cAUG a246-2580 v1363 aAntagonists of signaling receptors are often effective non-toxic therapeutic agents. Over the years, there have been evidences describing the role of serotonin or 5-hydroxytryptamine (5-HT) in development of cancer. Although there are reports on the antiproliferative effects of some serotonin receptor antagonists, there are very few investigations related to understanding their structure-activity relationships. In this study, we report the screening of a library of 4-phenyl quinoline derivatives for their antiproliferative activities. Preliminary docking studies indicated that these ligands had the ability to bind to two of the serotonin. receptors, 5-HT1B and 5-HT2B. The results of the in silico experiments were validated by performing in vitro studies on MCF-7 breast cancer cell line. The ethylpiperazine derivatives showed maximum toxicity against this cancer cell line. The compounds inhibited Calcium ion efflux (induced by serotonin) and ERK activation. One of the most active 4-phenyl quinoline derivatives (H3a) also induced apoptosis, thereby, suggesting the use of this scaffold as a potential anticancer drug. (C) 2017 Elsevier Masson SAS. All rights reserved.1 aJoshi, Pranaya, V.1 aSayed, Alim, A.1 aRaviKumar, Ameeta1 aPuranik, Vedavati, G.1 aZinjarde, Smita, S. uhttps://library.ncl.res.in/content/4-phenyl-quinoline-derivatives-potential-serotonin-receptor-ligands-antiproliferative02013nas a2200157 4500008004100000245007700041210006900118260000800187490000700195520143900202100001701641700003901658700003101697700002501728856010201753 2017 eng d00aAbundance matters: role of albumin in diabetes, a proteomics perspective0 aAbundance matters role of albumin in diabetes a proteomics persp cJUL0 v143 aIntroduction: Human serum albumin (HSA) is a multifaceted protein with vital physiological functions. It is the most abundant plasma protein with inherent capability to bind to diverse ligands, and thus susceptible to various post-translational modifications (PTMs) which alter its structure and functions. One such PTM is glycation, a non-enzymatic reaction between reducing sugar and protein leading to formation of heterogeneous advanced glycation end products (AGEs). Glycated albumin (GA) concentration increases significantly in diabetes and is implicated in development of secondary complications. Areas covered: In this review, we discuss in depth formation of GA and its consequences, approaches used for characterization and quantification of GA, milestones in GA proteomics, clinical relevance of GA as a biomarker, significance of maintaining abundant levels of albumin and future perspectives. Expert commentary: Elevated GA levels are associated with development of insulin resistance as well as secondary complications, in healthy and diabetic individuals respectively. Mass spectrometry (MS) based approaches aid in precise characterization and quantification of GA including early and advanced glycated peptides, which can be useful in prediction of the disease status. Thus GA has evolved to be one of the best candidates in the pursuit of diagnostic markers for prediction of prediabetes and diabetic complications.1 aBhat, Shweta1 aJagadeeshaprasad, Mashanipalya, G.1 aVenkatasubramani, Vinashya1 aKulkarni, Mahesh, J. uhttps://library.ncl.res.in/content/abundance-matters-role-albumin-diabetes-proteomics-perspective01720nas a2200217 4500008004100000245009800041210006900139260000800208300001400216490000700230520096100237100001801198700002201216700002101238700002901259700001901288700002301307700002101330700002401351856012701375 2017 eng d00aAcetone and methanol fruit extracts of terminalia paniculata inhibit HIV-1 infection in vitro0 aAcetone and methanol fruit extracts of terminalia paniculata inh cJAN a1468-14710 v313 aIn this study, we report the in vitro anti-HIV1 activity of acetone and methanol extracts of fruit of Terminalia paniculata. Cytotoxicity tests were conducted on TZM-bl cells and peripheral blood mononuclear cells (PBMC), the CC50 values of both the extracts were 260g/mL. Using TZM-bl cells, the extracts were tested for their ability to inhibit replication of two primary isolates HIV-1 (X4, Subtype D) and HIV-1 (R5, Subtype C). The activity against HIV-1 primary isolate (R5, Subtype C) was confirmed using activated PBMC and by quantification of HIV-1 p24 antigen. Both the extracts showed anti-HIV1 activity in a dose-dependent manner. The EC50 values of the acetone and methanol extracts of T. paniculata were 10.3g/mL. The enzymatic assays were performed to determine the mechanism of action which indicated that the anti-HIV1 activity might be due to inhibition of reverse transcriptase (77.7% inhibition) and protease (69.9% inhibition) enzymes. 1 aDurge, Ankita1 aJadaun, Pratiksha1 aWadhwani, Ashish1 aChinchansure, Ashish, A.1 aSaid, Madhukar1 aThulasiram, H., V.1 aJoshi, Swati, P.1 aKulkarni, Smita, S. uhttps://library.ncl.res.in/content/acetone-and-methanol-fruit-extracts-terminalia-paniculata-inhibit-hiv-1-infection-vitro01007nas a2200169 4500008004100000245008000041210006900121260000800190300001400198490000700212520043000219100002300649700001500672700002400687700002200711856010400733 2017 eng d00aAgOTf-catalyzed dehydrative [3+2] annulation of aziridines with 2-naphthols0 aAgOTfcatalyzed dehydrative 32 annulation of aziridines with 2nap cJUL a8219-82220 v533 aThe reaction of 2-naphthols with aziridines in the presence of AgOTf resulting in a dehydrative, formal [3+2] annulation is reported. The reaction allows the synthesis of functionalized benzoindolines, and tolerates a broad range of functional groups. A preliminary study on themechanism of this reaction indicates an SN1-type ring-opening of aziridines. This method is demonstrated for the one-pot synthesis of benzoindoles.1 aKaicharla, Trinadh1 aJacob, Anu1 aGonnade, Rajesh, G.1 aBiju, Akkattu, T. uhttps://library.ncl.res.in/content/agotf-catalyzed-dehydrative-32-annulation-aziridines-2-naphthols01827nas a2200193 4500008004100000245005800041210005500099260000800154300001400162490000700176520126500183100001501448700001601463700001501479700002001494700001501514700001901529856008501548 2017 eng d00aAllostreptomyces indica sp. nov., isolated from India0 aAllostreptomyces indica sp nov isolated from India cOCT a1000-10030 v703 aA novel actinobacterium, designated strain YIM 75704T, was isolated from a limestone quarry located at Gulbarga, Karnataka, India. The novel strain has showed typical morphological and chemotaxonomic characteristics of the family Streptomycetaceae. Comparison of 16S rRNA gene sequences indicated that this strain represents a novel member of the family Streptomycetaceae and exhibited 99.0% 16S rRNA gene sequence similarities with the type species of the recently described novel genus Allostreptomyces, that is, Allostreptomyces psammosilenae, whereas other species of Streptomyces were below 95% sequence similarity. The cell hydrolysates contained the LL-isomer of diaminopimelic acid and the predominant quinones were MK-9 (H 6, H 8 and H 4). The polar lipid profile consisted of diphosphatidylglycerol, phosphatidylinositolmannosides and three unknown phospholipids. The DNA G+C content was 75.0 mol%. A polyphasic study of the strain with morphological, phenotypic, phylogenetic and with DNA-DNA hybridization evidence with related members showed that this strain represents novel species of Allostreptomyces for which the name Allostreptomyces indica sp. nov., is proposed. The type strain is YIM 75704 T (= DSM 41985T =CCTCC AA 209051T = NCIM 5485T).1 aSahu, A.K.1 aQuadri, S.R1 aAgasar, D.1 aRuwaili, J., A.1 aJun-Li, W.1 aDastager, S.G. uhttps://library.ncl.res.in/content/allostreptomyces-indica-sp-nov-isolated-india01691nas a2200145 4500008004100000245011600041210006900157260000800226300001400234490000800248520112000256100001901376700002401395856012601419 2017 eng d00aAlternatively packed dry molten globule-like intermediate in the native state ensemble of a multidomain protein0 aAlternatively packed dry molten globulelike intermediate in the  cOCT a9336-93470 v1213 aIt has been difficult to quantify the degree of side-chain conformational heterogeneity in the native (N) state ensemble of proteins and the relative energetic contributions of the side-chain packing and the hydrophobic effect in protein stability. Here, we show using multiple site specific spectroscopic probes and tools of thermodynamics that the N state ensemble of a multidomain protein contains an equilibrium intermediate (I) whose interdomain region resembles a dry molten globule. In the I state, a tryptophan residue in the interdomain region is alternatively packed, but its secondary structure and intradomain packing are N-like. The I state also has a larger interdomain distance, but the domain-domain interface is dry and molten. Our results indicate that hydrophobic desolvation and side-chain packing are decoupled during protein folding and that interdomain packing interactions have an important energetic contribution in protein stability. Dynamic interconversion between alternatively packed N-like states could be important for multiple allosteric and ligand binding functions of this protein.1 aMishra, Prajna1 aJha, Santosh, Kumar uhttps://library.ncl.res.in/content/alternatively-packed-dry-molten-globule-intermediate-native-state-ensemble-multidomain01775nas a2200241 4500008004100000245010900041210006900150260000800219300001600227490000600243520093200249100002701181700002201208700001901230700002601249700002501275700001701300700002601317700002001343700003201363700001601395856012201411 2017 eng d00aAnti-microbial activity of chrysomycin a produced by streptomyces sp. against mycobacterium tuberculosis0 aAntimicrobial activity of chrysomycin a produced by streptomyces cJUL a36335-363390 v73 aLimited efficacy of the BCG (Bacillus Calmette–Guérin) vaccine against adult tuberculosis and the emergence of resistance to existing anti-tuberculosis drugs compel discovery of novel antibiotics against Mycobacterium tuberculosis. Actinomycetes are still an attractive platform for the discovery of new antimicrobials, especially from untapped natural hotspots, despite the belief that they are an exhausted resource after repeated re-discoveries. Herein we report the isolation and identification of chrysomycin A from an actinomycete isolated from a coastal area in Kerala. We show for the first time that it has antimycobacterial activity. It was found to be bactericidal to planktonic and intracellular M. tuberculosis with an MIC of 3.125 μg mL⁻¹; it is non-hemolytic and has negligible cytotoxicity. The actinomycete that produces chrysomycin A was found to be a Streptomyces sp. through 16S rRNA gene sequencing.1 aBalaji, Muralikrishnan1 aDan, Vipin, Mohan1 aJoseph, Vinodh1 aJamsheena, Vellekkatt1 aRamachandran, Ranjit1 aThomas, Sabu1 aDastager, Syed, Gulam1 aKumar, Santhosh1 aLankalapalli, Ravi, Shankar1 aKumar, Ajay uhttps://library.ncl.res.in/content/anti-microbial-activity-chrysomycin-produced-streptomyces-sp-against-mycobacterium02210nas a2200265 4500008004100000022001400041245010700055210006900162260000900231300000700240490000700247520130000254653002401554653002401578653001501602653002201617100002501639700002801664700002401692700002601716700002901742700002301771700002801794856012201822 2017 eng d a1022-976000aAromatic polyesters containing pendent 4-(phenylsulfonyl)phenyl groups: synthesis and characterization0 aAromatic polyesters containing pendent 4phenylsulfonylphenyl gro cMAR  a570 v243 a

A new bisphenol, 1,1-bis-[(4-hydroxyphenyl)-1-(4-phenylsulfonyl) phenyl)] ethane (DPSBP) was synthesized starting from diphenylsulfide and was characterized by spectroscopic methods. DPSBP was polycondensed with isophthalic acid chloride (IPC), terephthalic acid chloride (TPC) and a mixture of IPC and TPC (50: 50 mol%) by phase-transfer catalysed interfacial polymerization method to obtain aromatic polyesters containing pendent 4-(phenylsulfonyl)phenyl groups. A series of copolyesters was also obtained by polycondensation of varying molar proportions of DPSBP and bisphenol-A (BPA) with TPC. (Co) polyesters exhibited inherent viscosities in the range 0.56-1.57 dLg(-1) and number average molecular weights (Mn) were in the range 28,650-80,230 g/mol. Polyesters dissolved readily in common organic solvents such as dichloromethane, chloroform, tetrahydrofuran and aprotic polar solvents such as N-methylpyrrolidone, and N, N-dimethylacetamide. Tough, transparent and flexible films of polyesters could be cast from their chloroform solutions. X-Ray diffraction studies indicated amorphous nature of aromatic polyesters. Polyesters showed T-g values in the range 223-257 degrees C while T-10 values were in the range of 469-484 degrees C indicating their excellent thermal stability.

10aAromatic polyesters10aBulky pendent group10asolubility10athermal stability1 aBapat, Snehalata, P.1 aJadhav, Sushilkumar, A.1 aValsange, Nitin, G.1 aTawade, Bhausaheb, V.1 aHonkhambe, Pandurang, N.1 aChavan, Nayaku, N.1 aWadgaonkar, Prakash, P. uhttps://library.ncl.res.in/content/aromatic-polyesters-containing-pendent-4-phenylsulfonylphenyl-groups-synthesis-and03785nas a2200781 4500008004100000022001400041245010300055210006900158260000800227300001200235490000800247520166900255653002201924653002101946653002801967653001401995653002602009653002502035653001402060653002302074653001402097653002302111653001702134653001202151653001702163653002502180653001302205100001702218700001702235700001502252700001302267700001802280700001702298700002102315700001402336700001802350700001302368700001602381700001702397700001902414700001402433700001402447700001402461700001402475700001602489700001802505700001802523700001502541700001902556700001402575700001902589700002002608700001602628700001502644700001802659700001702677700001802694700002002712700001802732700001402750700002002764700001902784700002002803700001502823700001802838700001702856856013002873 2017 eng d a0974-362600aAssessing therapeutic potential of molecules: molecular property diagnostic suite for tuberculosis0 aAssessing therapeutic potential of molecules molecular property  cMAY a515-5310 v1293 a

Abstract: Molecular Property Diagnostic Suite (MPDS TB) is a web tool (http://mpds.osdd.net) designed to assist the in silico drug discovery attempts towards Mycobacterium tuberculosis (Mtb). MPDS TB tool has nine modules which are classified into data library (1–3), data processing (4–5) and data analysis (6–9). Module 1 is a repository of literature and related information available on the Mtb. Module 2 deals with the protein target analysis of the chosen disease area. Module 3 is the compound library consisting of 110.31 million unique molecules generated from public domain databases and custom designed search tools. Module 4 contains tools for chemical file format conversions and 2D to 3D coordinate conversions. Module 5 helps in calculating the molecular descriptors. Module 6 specifically handles QSAR model development tools using descriptors generated in the Module 5. Module 7 integrates the AutoDock Vina algorithm for docking, while module 8 provides screening filters. Module 9 provides the necessary visualization tools for both small and large molecules. The workflow-based open source web portal, MPDS TB 1.0.1 can be a potential enabler for scientists engaged in drug discovery in general and in anti-TB research in particular. Graphical Abstract: SYNOPSIS: A web-based MPDS TB Galaxy tool is developed for assessing therapeutic potential of molecules. MPDS TB is categorized into Data Library, Data Processing and Data Analysis. It can be a potential enabler for scientists engaged in drug discovery in general and in anti-TB research in particular. [Figure not available: see fulltext.] © 2017, Indian Academy of Sciences.

10achemical analysis10aChemoinformatics10acomputational chemistry10aDiagnosis10aDrug discovery portal10aInformation analysis10aLibraries10aMolecular graphics10aMolecules10aNeglected diseases10aOpen science10aPortals10atuberculosis10aWeb-based technology10aWebsites1 aGaur, A., S.1 aBhardwaj, A.1 aSharma, A.1 aJohn, L.1 aVivek, M., R.1 aTripathi, N.1 aBharatam, P., V.1 aKumar, R.1 aJanardhan, S.1 aMori, A.1 aBanerji, A.1 aLynn, A., M.1 aHemrom, A., J.1 aPassi, A.1 aSingh, A.1 aKumar, A.1 aMuvva, C.1 aMadhuri, C.1 aChoudhury, C.1 aKumar, D., A.1 aPandit, D.1 aBharti, D., R.1 aKumar, D.1 aSingam, E., A.1 aRaghava, G., P.1 aSailaja, H.1 aJangra, H.1 aRaithatha, K.1 aTanneeru, K.1 aChaudhary, K.1 aKarthikeyan, M.1 aPrasanthi, M.1 aKumar, N.1 aYedukondalu, N.1 aRajput, N., K.1 aSaranya, P., S.1 aNarang, P.1 aDutta, Prantu1 aKrishnan, R. uhttps://library.ncl.res.in/content/assessing-therapeutic-potential-molecules-molecular-property-diagnostic-suite-tuberculosis02432nas a2200265 4500008004100000245014900041210006900190260000800259300000900267490000800276520151200284653002801796653002401824653001401848653001901862653002201881653002201903100002001925700001701945700001701962700001601979700003001995700001802025856012302043 2017 eng d00aBand alignment and charge transfer pathway in three phase anatase-rutile-brookite TiO2 nanotubes: an efficient photocatalyst for water splitting0 aBand alignment and charge transfer pathway in three phase anatas cDEC a9-190 v1283 aThe study reports electrochemical synthesis, phase evolution and hydrogen generation efficiency of anatase, anatase-rutile and anatase-rutile-brookite (ARB) TiO2 nanotubes for the first time. The SEM and TEM micrographs confirm the tubular morphology of the samples. The presence of anatase, rutile and brookite phases in a single nanotube is confirmed from high resolution TEM analysis. The water splitting efficiency of the three systems are studied under one sun illumination. It is observed that the anatase-rutile-brookite TiO2 nanotubes are highly efficient compared to anatase-rutile or anatase TiO2 nanotubes. The hydrogen generated by ARB composites, after four hours of one sun illumination, is found to be nearly twice that of anatase TiO2 nanotubes and 1.6 times that of anatase-rutile TiO2 nanotubes. The results suggest that the ARB in single nanotube having two junction interfaces, highly facilitate interparticle charge transfer compared to single junction anatase-rutile or bare anatase TiO2 nanotubes. From the deconvolution of PL spectra and the synchrotron radiation assisted valence band edge analysis, the band diagram for the anatase-rutile-brookite phase is constructed. The charge separation and its transfer pathway for efficient photo-assisted water splitting are delineated. This opens a new route for the simple synthesis and study of tri-phase TiO2 for efficient photocatalytic water splitting compared to the widely studied two phase TiO2. (C) 2017 Published by Elsevier B.V.10aAnatase-Rutile-Brookite10aHydrogen generation10ananotubes10aPhotocatalysis10aphotoluminescence10aValence band edge1 aPreethi, L., K.1 aMathews, Tom1 aNand, Mangla1 aJha, S., N.1 aChinnakonda, Gopinath, S.1 aDash, Sitaram uhttps://library.ncl.res.in/content/band-alignment-and-charge-transfer-pathway-three-phase-anatase-rutile-brookite-tio202026nas a2200169 4500008004100000245009900041210006900140260000800209300001400217490000900231520140500240100001801645700002501663700002201688700002101710856012501731 2017 eng d00aBiosynthesis of glycomonoterpenes to attenuate quorum sensing associated virulence in bacteria0 aBiosynthesis of glycomonoterpenes to attenuate quorum sensing as cAPR a1533-15480 v181 3 aThe acquisition of multidrug resistance in bacteria has become a bigger threat of late, mainly due to the bacterial signaling phenomenon, quorum sensing (QS). QS, among a population of bacteria, initiates the formation of biofilms and offers myriad advantages to bacteria. Burgeoning antibiotic resistance in biofilm-producing bacteria has motivated efforts toward finding new alternatives to these traditional antimicrobials. In the present study, we report the increased solubility and additional quorum quenching as well as biofilm disruption activity of glyco-derivatives of monoterpenes (citral and citronellal). Glycomonoterpenes of citral and citronellal were synthesized via conjugation of the monoterpenes with glucose by the non-pathogenic yeast Candida bombicola (ATCC 22214). Structural elucidation of newly synthesized glycomonoterpenes showed that one synthesized using citronellal contains three major lactonic forms with molecular weight 492.43, 473.47, and 330.39 Da whereas the one produced using citral has an acidic form with molecular weight 389.33 and 346.23 Da. The glycomonoterpenes were able to individually inhibit QS, mediated through various medium-chain and long-chain N-acyl homoserine lactones (AHLs). These new compounds are interesting additions to the known range of quorum sensing inhibitors (QSIs) and could be further explored for potential clinical applications.1 aPatil, Amrita1 aJoshi-Navre, Kasturi1 aMukherji, Ruchira1 aPrabhune, Asmita uhttps://library.ncl.res.in/content/biosynthesis-glycomonoterpenes-attenuate-quorum-sensing-associated-virulence-bacteria01700nas a2200121 4500008004100000245009600041210006900137520118700206100002001393700001901413700001801432856012801450 2017 eng d00aCharacterizing clinically relevant natural variants of GPCRs using computational approaches0 aCharacterizing clinically relevant natural variants of GPCRs usi3 a

G protein-coupled receptors (GPCRs) are an important class of drug targets owing to their physiological role. A large number of clinically relevant single nucleotide polymorphisms (SNPs) have been observed in GPCRs that are linked to disease susceptibility and adverse drug response. It is therefore important to characterize the variants in order to improve GPCR therapeutics. Here, we discuss computational methods coupling molecular dynamics simulations with docking and free energy calculations to characterize the functional differences in GPCR variants. The hallmark of this approach is the explicit incorporation of receptor and membrane dynamics that allows us to analyze short- and long-range effects in the variant receptors. We use the SNPs reported in β2-adrenergic receptor (β2AR) as a test case and highlight the recent successes in analyzing structural and dynamic differences in a series of population variants. The computational approach we discuss here has a twofold benefit: it helps to unravel the molecular mechanisms underlying hypo- or hyperfunctionality of variant receptors as well as prioritizing novel variants that must be experimentally tested.

1 aSengupta, Durba1 aSonar, Krushna1 aJoshi, Manali uhttps://library.ncl.res.in/content/characterizing-clinically-relevant-natural-variants-gpcrs-using-computational-approaches02042nas a2200193 4500008004100000245011800041210006900159260000800228490000600236520130800242100002301550700002301573700002401596700002801620700002401648700002401672700002101696856013101717 2017 eng d00aChickpea-fusarium oxysporum interaction transcriptome reveals differential modulation of plant defense strategies0 aChickpeafusarium oxysporum interaction transcriptome reveals dif cAUG0 v73 aFusarium wilt is one of the major biotic stresses reducing chickpea productivity. The use of wilt-resistant cultivars is the most appropriate means to combat the disease and secure productivity. As a step towards understanding the molecular basis of wilt resistance in chickpea, we investigated the transcriptomes of wilt-susceptible and wilt-resistant cultivars under both Fusarium oxysporum f.sp. ciceri (Foc) challenged and unchallenged conditions. Transcriptome profiling using LongSAGE provided a valuable insight into the molecular interactions between chickpea and Foc, which revealed several known as well as novel genes with differential or unique expression patterns in chickpea contributing to lignification, hormonal homeostasis, plant defense signaling, ROS homeostasis, R-gene mediated defense, etc. Similarly, several Foc genes characteristically required for survival and growth of the pathogen were expressed only in the susceptible cultivar with null expression of most of these genes in the resistant cultivar. This study provides a rich resource for functional characterization of the genes involved in resistance mechanism and their use in breeding for sustainable wilt-resistance. Additionally, it provides pathogen targets facilitating the development of novel control strategies.1 aUpasani, Medha, L.1 aLimaye, Bhakti, M.1 aGurjar, Gayatri, S.1 aKasibhatla, Sunitha, M.1 aJoshi, Rajendra, R.1 aKadoo, Narendra, Y.1 aGupta, Vidya, S. uhttps://library.ncl.res.in/content/chickpea-fusarium-oxysporum-interaction-transcriptome-reveals-differential-modulation-plant01693nas a2200181 4500008004100000245010200041210006900143260000800212300001400220490000600234520103100240100001901271700002301290700003001313700001901343700001901362856013001381 2017 eng d00aColloidal nanocomposite of TiN and N-doped few-layer graphene for plasmonics and electrocatalysis0 aColloidal nanocomposite of TiN and Ndoped fewlayer graphene for  cOCT a2251-22560 v23 a

A combination of high carrier density, high surface area, solution processability, and low cost is desired in a material for electrocatalytic applications, including H-2 evolution and a counter electrode of a solar cell. Also, plasmonic-based applications in biological systems can be derived from such material. In this regard, a colloidal nanocomposite of TiN and N-doped few-layer graphene (TiN NFG) is synthesized from molecular precursors. TiN nano crystals (NCs) provide free electrons for electrical conductivity and plasmonics, whereas NFG is responsible for charge transport, high surface area, and colloidal stability. Colloidal TiN NFG nano composites exhibit a localized surface plasmon resonance band at around 700 nm. Coatings of the nanocomposite form a counter electrode for efficient (8.9%) dye-sensitized solar cells. Furthermore, the nanocomposite acts as an efficient electrocatalyst for hydrogen evolution reaction, exhibiting an overpotential similar to 161 mV at a current density of 10 mA/cm(2).

1 aShanker, Shiva1 aMarkad, Ganesh, B.1 aJagadeeswararao, Metikoti1 aBansode, Umesh1 aNag, Angshuman uhttps://library.ncl.res.in/content/colloidal-nanocomposite-tin-and-n-doped-few-layer-graphene-plasmonics-and-electrocatalysis01569nas a2200145 4500008004100000245009900041210006900140260000800209300001000217490000700227520103500234100001701269700001601286856012101302 2017 eng d00aComparable ionicity of the solutions of aprotic and protic ionic liquids by anion substitution0 aComparable ionicity of the solutions of aprotic and protic ionic cJUN a1-13 0 v463 aTemperature dependent molar conductances and fluidities of bisulfate and ethyl sulfate anion-based ionic liquids were measured. The extent of dissociation of the ionic liquids was estimated from the Walden plot in term of ionicity. The ionicity mainly depends on the magnitude of Coulombic forces, altered by the anion’s Lewis basicity. Aqueous solutions of aprotic ionic liquids, in general, possesses ionicity in the range of ≈70–99%. This article reveals that the substitution of the anion by bisulfate and ethylsulfate reduces the ionicity of aqueous solution of these ionic liquids to the range of 10–37%. This is very close to that exhibited by some of the protic ionic liquids and phosphonium based ionic liquids with sweetner anions. The concentration dependent molar conductance of these ionic liquids has been fitted to Mahiuddin and Ismail’s equation. To our surprise, the molar conductances of bisulfate-based aprotic ionic liquids are remarkably high, even though these ionic liquids possess lower ionicity.1 aJain, Preeti1 aKumar, Anil uhttps://library.ncl.res.in/content/comparable-ionicity-solutions-aprotic-and-protic-ionic-liquids-anion-substitution01538nas a2200157 4500008004100000245011000041210006900151260000800220300001200228490000800240520094400248100002201192700002101214700002101235856012401256 2017 eng d00aComparative analysis of extractive and pressure swing distillation for separation of THF-water separation0 aComparative analysis of extractive and pressure swing distillati cAUG a188-2000 v1033 aIn the present work, extractive and pressure-swing distillation methods are analyzed in detail through steady state ASPEN Plus simulations to propose the most economic method for separation of equimolar mixture of THF-Water. Various solvents were evaluated and DMSO was identified as the most appropriate solvent, as it gave minimum Total Annual Cost (TAC) for desired purity. In case of pressure swing distillation, various pressure ranges were explored to achieve minimum TAC. Configurations for extractive and pressure swing distillation with heat integration were also worked out. The optimum designs of extractive and pressure swing distillation with and without heat integration were compared on a common basis of feed conditions and purity constraints. Results indicate that TAC of extractive distillation with heat integration is 5.2% less than that of PSD with partial heat integration. (C) 2017 Elsevier Ltd. All rights reserved.1 aGhuge, Pravin, D.1 aMali, Nilesh, A.1 aJoshi, Sunil, S. uhttps://library.ncl.res.in/content/comparative-analysis-extractive-and-pressure-swing-distillation-separation-thf-water02026nas a2200253 4500008004100000245010900041210006900150260000800219300001400227490000800241520118200249100002101431700002001452700001901472700001801491700002201509700001901531700001901550700001901569700002101588700001901609700002101628856012301649 2017 eng d00aCompositional dependence of electrical conduction in solution grown Zn1-xCrxSe thin films: a correlation0 aCompositional dependence of electrical conduction in solution gr cMAR a5070-50740 v28 3 aZinc selenide (ZnSe) has a typical band gap of 2.7 eV suitable for window application and can easily be synthesized using a liquid phase chemical bath deposition. An attempt is made to tune its band gap and other characteristics to cope with a maxima of the solar spectrum by deliberate addition of Cr3+. ZnSe and Zn1-xCrxSe (0 <= x <= 0.35) thin films were obtained under the controlled deposition conditions (temperature = 70 A degrees C, time = 210 min, pH = 10, etc). The compositional analysis showed Zn2+ replacement by Cr3+. The X-ray photoelectron spectroscopy revealed chemical states of the constituents Zn, Cr and Se as 2(+), 3(+) and 2(-) respectively. The electrical conductivity and thermo-power measurements in the 300-550 K temperature range showed semiconducting nature of the material and that the electrical conduction is of the n-type. The electrical conductivity is found to be increased continuously up to x = 0.05 and then decreased for further increase in x. The Hall-probe measurements also confirmed n-type conduction. The average Hall coefficient for pure ZnSe is -1.03 x 10(7) cm(3)/C whereas, it is -4.55 x 10(6) cm(3)/C for a sample with x = 0.35.1 aDeshmukh, S., L.1 aPingale, P., C.1 aChavan, G., T.1 aPawar, S., T.1 aPrakshale, V., M.1 aKamble, S., S.1 aJadkar, S., R.1 aChaure, N., B.1 aGopinath, C., S.1 aMaldar, N., N.1 aDeshmukh, L., P. uhttps://library.ncl.res.in/content/compositional-dependence-electrical-conduction-solution-grown-zn1-xcrxse-thin-films02107nas a2200181 4500008004100000245013800041210006900179260000800248300001400256490000700270520141800277100001901695700001801714700002201732700002501754700002201779856012401801 2017 eng d00aComputational strategies to explore antimalarial thiazine alkaloid lead compounds based on an australian marine sponge plakortis lita0 aComputational strategies to explore antimalarial thiazine alkalo cAUG a2407-24290 v353 aIn this work, an attempt was made to propose new leads based on the natural scaffold Thiaplakortone-A active against malaria. The 2D QSAR studies suggested that three descriptors correlate with the anti-malarial activity with an R2 value of 0.814. Robustness, reliability and predictive power of the model were tested by internal validation, external validation, Y-scrambling and Applicability domain analysis. HQSAR studies were carried out as an additional tool to find the sub-structural fingerprints. The CoMFA and CoMSIA models gave Q2 values of 0.813 and 0.647, and R2ncv values of 0.994 and 0.984, respectively. Using the 2D-QSAR equation, the activity values of the seven modified compounds were calculated and it was found that three molecules showed good anti-malarial activity. Molecular docking of the 42 Thiaplakortone-A derivatives with P. falciparum calcium-dependent protein kinase 1 (PfCDPK1) was carried out to find out protein-ligand interactions. Data mining of the bioassay dataset AID: 504850 using the classifier based on Random Forest (RF) of Weka suggested that all of the eight molecules selected and three out of the seven virtual molecules were anti-malarial active. Both the virtual molecules and drug molecules were docked with CYP3A4, indicating that the virtual molecules could metabolize easily. Toxicity studies using Osiris shows that three molecules showed no toxic characters.1 aLilly, Aswathy1 aJisha, R., S.1 aMasand, Vijay, H.1 aGajbhiye, Jayant, M.1 aShibi, Indira, G. uhttps://library.ncl.res.in/content/computational-strategies-explore-antimalarial-thiazine-alkaloid-lead-compounds-based01160nas a2200145 4500008004100000245009700041210006900138260000800207520060200215100001500817700001500832700002200847700002300869856012200892 2017 eng d00aContinuous flow telescopic oxidation of alcohols via generation of chlorine and hypochlorite0 aContinuous flow telescopic oxidation of alcohols via generation  cMAR3 aA 3-step continuous flow oxidation of alcohols is demonstrated with continuous generation of chlorine as the first step followed by its use for the flow synthesis of high strength sodium hypochlorite. The solution is subsequently used for oxidation of alcohols in the presence of a catalytic amount of the nitroxyl radical “TEMPO”, which inhibits oxidation at the aldehyde stage. Selective oxidations of eight different alcohols were demonstrated. To achieve identical yields, the aromatic alcohols containing electron withdrawing groups needed a longer residence time than aliphatic alcohols.1 aSharma, Y.1 aMoolya, S.1 aJoshi, Ramesh, A.1 aKulkarni, Amol, A. uhttps://library.ncl.res.in/content/continuous-flow-telescopic-oxidation-alcohols-generation-chlorine-and-hypochlorite02201nas a2200193 4500008004100000245010800041210006900149260000800218300001200226490000700238520154100245100001601786700001501802700001601817700002201833700001301855700001501868856012401883 2017 eng d00aData on the effect of oral feeding of Arachidonic acid or Docosahexanoic acid on haematopoiesis in mice0 aData on the effect of oral feeding of Arachidonic acid or Docosa cOCT a551-5570 v143 a

Stem cells have peculiar property to self-renew and differentiate. It is important to control their fate in safe and effective ways for their therapeutic use. The mediators of essential polyunsaturated fatty acids (PUFAs) namely Arachidonic acid (AA) and Docosahexanoic acid (DHA) are known to play a role in haematopoiesis via various metabolic pathways [1]. However the direct effect of purified AA or DHA on haematopoiesis has not been well investigated yet. We have reported that oral administration of PUFAs enhanced haematopoiesis in mice [2]. Signaling Leukocyte Antigen Molecule (SLAM) (CD48−CD150+) phenotype consists of pure population of haematopoietic stem cells (HSCs). Herein we observed higher percentage of SLAM (CD48−CD150+) phenotype in the bone marrow (BM) cells of mice fed with AA or DHA compared to PBS fed control mice. Data from engraftment study depicts that BM from AA/DHA-fed mice showed higher absolute number of donor cells in recipient mice compared to control. The enhanced hematopoiesis observed in AA/DHA-fed mice was returned to normal when the mice were kept on normal diet for six weeks (after ten days of oral feeding). We confirmed GCMS (Gas Chromatography-Mass Spectroscopy) retention times of AA and DHA by co-injecting fatty acid extract from AA or DHA fed mice with purified AA or DHA standards respectively. Representative flow cytometry profile of Lin−Sca-1+c-kit+(LSK) cells showed higher expression of CXCR4 protein and ligands of Wnt, Notch1 signaling in BM of AA/DHA-fed mice

1 aLimbkar, K.1 aDhenge, A.1 aJadhav, D.D1 aThulasiram, H. V.1 aKale, V.1 aLimaye, L. uhttps://library.ncl.res.in/content/data-effect-oral-feeding-arachidonic-acid-or-docosahexanoic-acid-haematopoiesis-mice01829nas a2200229 4500008004100000022001400041245014300055210006900198260000900267300001000276490000800286520101900294653001501313653002001328653001701348100002001365700001601385700002201401700002201423700002501445856012901470 2017 eng d a0168-583X00aDefect induced modification of structural, topographical and magnetic properties of zinc ferrite thin films by swift heavy ion irradiation0 aDefect induced modification of structural topographical and magn cAPR  a68-740 v3963 a

Swift heavy ion irradiation provides unique ways to modify physical and chemical properties of materials. In ferrites, the magnetic properties can change significantly as a result of swift heavy ion irradiation. Zinc ferrite is an antiferromagnet with a Neel temperature of 10 K and exhibits anomalous magnetic properties in the nano regime. Ion irradiation can cause amorphisation of zinc ferrite thin films; thus the role of crystallinity on magnetic properties can be examined. The influence of surface topography in these thin films can also be studied. Zinc ferrite thin films, of thickness 320 nm, prepared by RF sputtering were irradiated with 100 MeV Ag ions. Structural characterization showed amorphisation and subsequent reduction in particle size. The change in magnetic properties due to irradiation was correlated with structural and topographical effects of ion irradiation. A rough estimation of ion track radius is done from the magnetic studies. (C) 2017 Elsevier B.V. All rights reserved.

10aSpin glass10aSwift heavy ion10aZinc Ferrite1 aRaghavan, Lisha1 aJoy, P., A.1 aVijaykumar, Varma1 aRamanujan, R., V.1 aAnantharaman, M., R. uhttps://library.ncl.res.in/content/defect-induced-modification-structural-topographical-and-magnetic-properties-zinc-ferrite02219nas a2200241 4500008004100000245011100041210006900152260000800221300001400229490000600243520137800249100002301627700001801650700002201668700002201690700002301712700002101735700002801756700002401784700002301808700002201831856012401853 2017 eng d00aOn demand electrochemical release of drugs from porous reduced graphene oxide modified flexible electrodes0 ademand electrochemical release of drugs from porous reduced grap cAUG a6557-65650 v53 aDespite the advantages of an electrochemical control for drug release, only a handful of electrochemical-based release systems have been developed so far. We report herein on the development of an electrochemically activatable platform for on-demand delivery of drugs. It is based on flexible gold thin film electrodes coated with porous reduced graphene oxide (prGO) nanosheets onto which the drug of interest has been integrated beforehand. Two different drugs are investigated here: ondansetron hydrochloride (ODS), a selective 5-HT3 receptor antagonist used for preventing nausea and vomiting caused by chemotherapy and radiotherapy, and ampicillin (AMP), an antibiotic to prevent and treat a number of bacterial infections such as respiratory tract infections, urinary tract infections, and meningitis. In the case of ODS, application of a negative potential bias of -0.8 V results in a sustained slow ODS release with an ODS flux of 47 mu g cm(-2) h(-1). In the case of AMP, we show that polyethyleneimine modified prGO (prGO/PEI) is an extremely efficient matrix. Upon the application of +0.8 V, 24% of AMP could be released from the electrical interface in a time span of 2 h. The released AMP kept its antibacterial activity as demonstrated by antimicrobial tests. These examples illustrate the major benefits of the developed approach for biomedical applications.1 aBoulahneche, Samia1 aJijie, Roxana1 aBarras, Alexandre1 aChekin, Fereshteh1 aSingh, Santosh, K.1 aBouckaert, Julie1 aMedjram, Mohamed, Salah1 aKurungot, Sreekumar1 aBoukherroub, Rabah1 aSzunerits, Sabine uhttps://library.ncl.res.in/content/demand-electrochemical-release-drugs-porous-reduced-graphene-oxide-modified-flexible02331nas a2200205 4500008004100000245010100041210006900142260000800211300001400219490000700233520161400240100001801854700001801872700002101890700002201911700002801933700002301961700002401984856011702008 2017 eng d00aDescription of Lysinibacillus telephonicus sp nov., isolated from the screen of a cellular phone0 aDescription of Lysinibacillus telephonicus sp nov isolated from  cJUL a2289-22950 v673 aA novel bacterial strain, designate dS5H2222(T), was isolated form the screen of a cellular phone. The cells were Gram-stainpositive, rod-shaped, aerobic and motile, and endospores are formed. S5H2222(T) grew as pale white colonies on trypticase soy agar and the best growth was observed at 37 degrees C (10- 55 degrees C) and at pH 7.0 (5.0-9.0). S5H2222(T) could tolerate up to 10% (w/v) NaCl. Phylogenetic analysis based on 16S rRNA gene sequences placed this strain within the genus Lysinibacillus and it exhibited high 16S rRNA gene sequence similarity to Lysinibacillus halotolerans LAM612(T) (97.8 %), Lysinibacillus chungkukjangi2RL3-2(T) (97.4 %) and Lysinibacillus sinduriensis BLB-1(T) (97.2 %). TheDNA- DNA relatedness of the strain with L. halotolerans JCM 19611(T), L. chungkukjangi KACC 16626(T) and L. sinduriensis KACC 16611(T) was 57, 64 and 55% respectively. The genomic DNA G+C content was 39.8 mol%. The major fatty acids of S5H2222(T) were iso-C-15:0, anteiso-C-15:0, iso-C-16:0 and anteiso-C-17:0. MK-7 was the only menaquinone and the main polar lipids were diphosphatidylglycerol, phosphatidylglycerol and phosphatidylethanolamine, four unidentified polar lipids were also present. The diagnostic amino acids in the cell wall peptidoglycan contained Lys-Asp (type A4 alpha). On the basis of the results of the phenotypic and genotypic characterizations, it was concluded that S5H2222(T) represents a novel species of the genus Lysinibacillus, for which the name Lysinibacillus telephonicus sp. nov. is proposed. The type strain is S5H2222(T) (=MCC 3065 T =KACC 18714(T)=LMG 29294(T)).1 aRahi, Praveen1 aKurli, Rashmi1 aKhairnar, Mitesh1 aJagtap, Shubhangi1 aPansare, Aabeejjeet, N.1 aDastager, Syed, G.1 aShouche, Yogesh, S. uhttps://library.ncl.res.in/content/description-lysinibacillus-telephonicus-sp-nov-isolated-screen-cellular-phone01559nas a2200181 4500008004100000245007800041210006900119260000800188300001200196490000700208520094600215100001601161700002501177700002601202700002301228700002001251856010601271 2017 eng d00a Differential accumulation of vimentin fragments in preeclamptic placenta0 aDifferential accumulation of vimentin fragments in preeclamptic  cNOV a420-4250 v743 aPreeclampsia is a pregnancy complication that is the result of abnormal placentation because of inadequate trophoblast invasion into spiral arteries that prevent normal blood flow to the placenta. We report the alteration in vimentin protein proteolysis in placenta of normotensive and preeclamptic women, which is known to have a role in many physiological functions other than its major function in the structural integrity of the cell. Placental proteome from normotensive (n=25) and preeclamptic pregnancies (n=25) showed eight differentially accumulated protein spots of vimentin (proteolytic fragments) by two-dimensional electrophoresis. Immunoblots of normotensive and preeclamptic placenta revealed a difference in proteolytic processing of vimentin. In particular, lower molecular weight vimentin fragments of 32 and 20 kDa were 3.3 and 2.6-fold (p<0.0001) higher, respectively, in preeclampsia compared with normotensive placenta.1 aMary, Sheon1 aKulkarni, Mahesh, J.1 aMehendale, Savita, S.1 aJoshi, Sadhana, R.1 aGiri, Ashok, P. uhttps://library.ncl.res.in/content/differential-accumulation-vimentin-fragments-preeclamptic-placenta01799nas a2200181 4500008004100000022001400041245012100055210006900176260000900245300001400254490000600268520112600274100002601400700001601426700003001442700001801472856012701490 2017 eng d a2044-475300aDiverse reactivity trends of Ni surfaces in Au@Ni core-shell nanoparticles probed by near ambient pressure (NAP) XPS0 aDiverse reactivity trends of Ni surfaces in AuNi coreshell nanop cOCT  a4489-44980 v73 aA mild temperature sequential reduction method in aqueous medium is reported for the synthesis of Au@Ni nanoparticles with a core-shell morphology. The nickel shell thickness with a gold core in the nanostructure can be tuned from 2 nm up to about 10 nm. Near ambient pressure XPS (NAPXPS) studies under oxygen atmosphere show that Au-80@Ni-20 with an extremely thin nickel shell (similar to 2 nm) follows a distinctly different decomposition pathway of metastable Ni(OOH) species compared to those with larger shell thickness which behave more like individual nickel surfaces. Thus, Ni(OOH) on Au-80@Ni-20 decomposes to metallic Ni at 100 degrees C and is found to resist oxidation at 0.1 mbar oxygen at this temperature. Those with a larger nickel shell thickness behave more like monometallic Ni in terms of their decomposition and oxidation properties. The Au@Ni system with an ultra thin metallic nickel overlayer (2 nm) shows high catalytic activity and selectivity for phenylacetylene hydrogenation under mild conditions which outweighs their monometallic counterparts and those with higher nickel shell thickness.1 aBharathan, Vysakh, A.1 aJain, Ruchi1 aGopinath, Chinnakonda, S.1 aVinod, C., P. uhttps://library.ncl.res.in/content/diverse-reactivity-trends-ni-surfaces-auni-core-shell-nanoparticles-probed-near-ambient02552nas a2200313 4500008004100000245010700041210006900148260000800217300001500225490000700240520158100247653002601828653001701854653002001871653002101891653002301912100001701935700001501952700001501967700001601982700001701998700001502015700001402030700001502044700001602059700001502075700001802090856013002108 2017 eng d00aDocetaxel-titanate nanotubes enhance radiosensitivity in an androgen-independent prostate cancer model0 aDocetaxeltitanate nanotubes enhance radiosensitivity in an andro cAUG a 6357-63640 v123 aAround 40% of high-risk prostate cancer patients who undergo radiotherapy (RT) will experience biochemical failure. Chemotherapy, such as docetaxel (DTX), can enhance the efficacy of RT. Multidrug resistance mechanisms often limit drug efficacy by decreasing intracellular concentrations of drugs in tumor cells. It is, therefore, of interest to develop nanocarriers of DTX to maintain the drug inside cancer cells and thus improve treatment efficacy. The purpose of this study was to investigate the use of titanate nanotubes (TiONts) to develop a TiONts-DTX nanocarrier and to evaluate its radiosensitizing in vivo efficacy in a prostate cancer model. In vitro cytotoxic activity of TiONts-DTX was evaluated using an MTS assay. The biodistribution of TiONts-DTX was analyzed in vivo by single-photon emission computed tomography. The benefit of TiONts-DTX associated with RT was evaluated in vivo. Eight groups with seven mice in each were used to evaluate the efficacy of the nanohybrid combined with RT: control with buffer IT injection ± RT, free DXL ± RT, TiONts ± RT and TiONts-DXL ± RT. Mouse behavior, health status and tumor volume were monitored twice a week until the tumor volume reached a maximum of 2,000 mm3. More than 70% of nanohybrids were localized inside the tumor 96 h after administration. Tumor growth was significantly slowed by TiONts-DTX associated with RT, compared with free DTX in the same conditions (P=0.013). These results suggest that TiONts-DTX improved RT efficacy and might enhance local control in high-risk localized prostate cancer.10aDocetaxel Nanocarrier10ananoparticle10aProstate Cancer10aRadiosensitivity10aTitanate nanotubes1 aMirjolet, C.1 aMartin, E.1 aBoudon, J.1 aLoiseau, A.1 aChevrier, S.1 aBoidot, R.1 aOudot, A.1 aCollin, B.1 aJoy, P., A.1 aMillot, N.1 aCréhange, G. uhttps://library.ncl.res.in/content/docetaxel-titanate-nanotubes-enhance-radiosensitivity-androgen-independent-prostate-cancer01700nas a2200157 4500008004100000245010000041210006900141260000800210300001600218490000700234520111600241100002101357700001901378700002401397856012101421 2017 eng d00aDry molten globule-like intermediate during the base-induced unfolding of a multidomain protein0 aDry molten globulelike intermediate during the baseinduced unfol cNOV a30207-302160 v193 aThe nature of the initial structural events during the base-induced unfolding of the native (N) state of proteins is poorly understood. Combining site-specific fluorescence resonance energy transfer, size exclusion chromatography, dynamic fluorescence quenching, red-edge excitation shift and circular dichroism spectroscopy, we show here that an early intermediate during the base-induced unfolding of a multidomain protein, i.e., the B form, has features of a dry molten globule. We show that the N (sic) B transition involves protein expansion and loosening of packing of inter-domain helices near domains I and II without the disruption of intra-domain packing or any change in hydration of the inter-domain region which resembles a molten hydrocarbon. Surprisingly, the disruption of inter-domain packing accounts for 40-45% of the total change in free energy of complete unfolding. Our results show that the disruption of van der Waals packing can be decoupled in different regions of a protein and could occur prior to hydrophobic solvation during base-induced unfolding, challenging the existing notion.1 aAcharya, Nirbhik1 aMishra, Prajna1 aJha, Santosh, Kumar uhttps://library.ncl.res.in/content/dry-molten-globule-intermediate-during-base-induced-unfolding-multidomain-protein01702nas a2200145 4500008004100000245013900041210006900180260000800249300001000257490001000267520110600277100002801383700002001411856012501431 2017 eng d00aEffect of molecular weight of curing agents on properties of nanocomposites based on epoxy resin and organoclay with reactive modifier0 aEffect of molecular weight of curing agents on properties of nan cMAR a445950 v134 3 aNanocomposites of epoxy resin and clay modified with half neutralized salt of Jeffamine D400 were prepared by curing separately with three polyetheramines curing agents of different molecular weights and reactivity. The molecular weight of curing agents and their structural similarity with modifier played an important role in deciding the curing behavior, thermomechanical, and morphological properties of epoxy/clay nanocomposites. Morphological analysis carried out by X-ray diffraction (XRD) and transmission electron microscope (TEM) clearly show that the dispersion of clay layers in epoxy matrix decreases with decreasing molecular weight of the curing agents. Curing study done by using temperature modulated differential scanning calorimetry (MDSC) demonstrates that extragallery reaction rate increases with decreasing molecular weight of curing agents. Dynamic mechanical analysis (DMA) of epoxy/3 wt % modified clay composite prepared by curing with curing agent of higher molecular weight shows around 270% improvement in storage modulus (glassy) as compared with its neat epoxy network.1 aJagtap, Siddheshwar, B.1 aRatna, Debdatta uhttps://library.ncl.res.in/content/effect-molecular-weight-curing-agents-properties-nanocomposites-based-epoxy-resin-and02203nas a2200193 4500008004100000022001300041245012700054210006900181260000800250300001200258490000700270520151700277100001701794700001701811700001401828700001801842700001701860856013201877 2017 eng d a0019638X00aEffect of phytase and FYM on soil enzyme activities, microbial population and nutrient availability of non-calcareous soil0 aEffect of phytase and FYM on soil enzyme activities microbial po cJUN a222-2290 v653 aA pot culture experiment was conducted to assess the effect of phytase and FYM levels on soil enzyme activities and nutrient availability of non-calcareous soil under soybean cultivation. The treatment consisted of four levels of phytase (0, 1200, 2400 and 3600 IU) and FYM (0, 2.5, 5.0 and 7.5 t ha-1). Enzyme activities and nutrient availability in soil was assessed at 50% flowering and harvest of soybean. It was observed that application of phytase @ 3600 IU recorded significantly higher acid and alkaline phosphatase and dehydrogenase activity at both the growth stages of soybean. Results revealed that significant interaction effect with combine application of phytase @ 3600IU and FYM @ 7.5 t ha-1 recorded higher bacterial, fungal and actinomycetes population. Combined application of phytase @ 3600 IU and FYM @ 7.5 t ha-1 recorded significantly higher available nitrogen (289.3 and 213.6 kg ha-1) and potassium (295.0 and 270.6 kg ha-1) at 50% flowering and at harvest of soybean, respectively. However, in case of phosphorus (P), at 50% flowering significantly higher available P was recorded with phytase @ 3600 IU + 7.5 t ha-1 (23.9 kg ha-1). Reduction trend obtained for calcium carbonate content from 4.24 to 3.68% at 50% flowering and from 4.20 to 3.60% at harvest stage was obtained with the application of phytase @ 3600 IU. This study suggest that application of phytase in combination with manure substantially improves soil biological activities as well as better nutrient supply to crop.1 aJadhav, A.B.1 aSuradkar, R.1 aTaggu, B.1 aTamboli, B.D.1 aPriyanka, B. uhttps://library.ncl.res.in/content/effect-phytase-and-fym-soil-enzyme-activities-microbial-population-and-nutrient-availability02433nas a2200145 4500008004100000245017200041210006900213260000800282300002700290490000700317520179100324100002702115700001602142856012902158 2017 eng d00a Effect of size and site preference of trivalent non-magnetic metal ions (Al3+, Ga3+, In3+) substituted for Fe3+ on the magnetostrictive properties of sintered CoFe2O40 aEffect of size and site preference of trivalent nonmagnetic meta cNOV aArticle Number: 4350050 v503 aThe influence of size and crystallographic site preference of three non-magnetic isovalent metal ions of larger (In3+), comparable (Ga3+) and smaller (Al3+) sizes, substituted for Fe3+ in the spinel lattice of CoFe2O4 on its magnetostrictive properties is compared. For the different compositions in CoFe2-xMxO4 (M = In3+, Ga3+, Al3+ and 0 <= x <= 0.3), significant changes in the structural and magnetic parameters are observed with the degree of substitution, due to the size and site preferences. Magnetic and Raman spectral studies revealed that Al3+ is substituted for Fe3+ at both octahedral and tetrahedral sites for all compositions, whereas In3+ and Ga3+ are substituted for Fe3+ at the tetrahedral site only for x <= 0.2 and partly at the octahedral site for x > 0.2. Regardless of the differences in the ionic size, site preference and the magnetic properties, compositions in all three series with x = 0.1 showed almost equal magnitude of maximum magnetostriction (lambda(max) = similar to 230 ppm), marginally higher than that of x = 0 (217 ppm). However, at higher substituted compositions, lambda(max) is decreased with x, but the decrease is much faster for the Al-substituted compositions. The maximum strain sensitivity, [d lambda/dH](max), is also found to be comparable for all three compositions. The comparable magnetostriction characteristics and high strain at low magnetic fields for different substituted compositions at low levels of substitution are attributed to the local structural distortions associated with the inhomogeneous distribution of the substituted ions in the spinel ferrite lattice. The studies suggest ways to optimise the magnetostriction properties of properly substituted sintered cobalt ferrite for applications in sensors and actuators.1 aAnantharamaiah, P., N.1 aJoy, P., A. uhttps://library.ncl.res.in/content/effect-size-and-site-preference-trivalent-non-magnetic-metal-ions-al3-ga3-in3-substituted01423nas a2200145 4500008004100000245007200041210006900113260000800182300001400190490000700204520091000211100002301121700002901144856010401173 2017 eng d00aEfficient palladium catalyzed Mizoroki-Heck cross-coupling in water0 aEfficient palladium catalyzed MizorokiHeck crosscoupling in wate cDEC a5958-59700 v193 aThe homogeneous Pd-catalysed Mizoroki-Heck coupling reaction was successfully performed in water in the absence of any additives under aerobic conditions. The various key reaction parameters that affect the yield of the desired cross-coupling product were optimized. The Pd(PPh3)(4)/Et3N/H2O/98 degrees C catalyst system was found to be highly active (TOF = 12 to 14 h(-1)) towards achieving excellent yield of the Mizoroki-Heck coupling products for a wide range of electron-withdrawing as well as electron-donating aryl bromides and chlorides in the shortest reaction time. Pd(PPh3) 4 catalyst deactivation during the Mizoroki-Heck coupling reaction was investigated and to evolve a strategy for achieving ten times Pd-metal recyclability without appreciable loss of its activity. Thus, the proposed mechanism provides access to a variety of olefins in aqueous medium, making this protocol eco-friendly.1 aJadhav, Sanjay, N.1 aRode, Chandrashekhar, V. uhttps://library.ncl.res.in/content/efficient-palladium-catalyzed-mizoroki-heck-cross-coupling-water01711nas a2200193 4500008004100000245015800041210007000199260000800269300001600277490000700293520094900300100002301249700001701272700001701289700003101306700002701337700002201364856013101386 2017 eng d00aEnantioselective synthesis of spiro γ-butyrolactones by N-heterocyclic carbene (NHC)-catalyzed formal [3+2] annulation of enals with 3-hydroxy oxindoles0 aEnantioselective synthesis of spiro γbutyrolactones by Nheterocy cFEB a2013 - 20190 v163 aThe N-heterocyclic carbene (NHC)-catalyzed enantioselective formal [3 + 2] annulation of α,β-unsaturated aldehydes with 3-hydroxy oxindoles is presented. Under oxidative conditions using the bisquinone oxidant, the reaction resulted in the synthesis of spiro γ-butyrolactones in moderate to good yields, enantioselectivity and diastereoselectivity. The reaction likely proceeds via the generation of the NHC-bound α,β-unsaturated acylazolium intermediate from enals, which was intercepted by the dioxindoles in a formal [3 + 2] pathway to form the spirocyclic compounds. However, a deeper mechanistic investigation revealed that the reaction can also proceed via the homoenolate intermediate. In this case, the dioxindole was oxidized to the corresponding isatin derivative using traces of air under basic conditions, and was intercepted with the NHC-bound homoenolate intermediate in a formal [3 + 2] pathway to afford the spiro compound.1 aMukherjee, Subrata1 aJoseph, Sumi1 aBhunia, Anup1 aGonnade, Rajesh, Ghanshyam1 aReddy, Santhi, Vardhan1 aBiju, Akkattu, T. uhttps://library.ncl.res.in/content/enantioselective-synthesis-spiro-%CE%B3-butyrolactones-n-heterocyclic-carbene-nhc-catalyzed01155nas a2200253 4500008004100000022001400041245008400055210006900139260000900208300001400217520032900231653001600560653002900576653002000605653001300625653002200638100001900660700002500679700002400704700002400728700001700752700001600769856011600785 2017 eng d a1434-193X00aEngineering molecular topology: A pseudopeptidic macrocyclic figure-eight motif0 aEngineering molecular topology A pseudopeptidic macrocyclic figu cFEB  a1120-11243 a

We herein present a rational-design strategy for the synthesis of molecules with figure-eight topology. The design concept is based on the incorporation of turn units in the back-bone of the macrocycle. The molecular structures and the folding are studied by X-ray crystallography and NMR, FT-IR, and CD spectroscopy.

10aMacrocycles10anoncovalent interactions10aPi interactions10atopology10aX-ray diffraction1 aSharma, Sakshi1 aThorat, Shridhar, H.1 aGonnade, Rajesh, G.1 aJasinski, Jerry, P.1 aButcher, Ray1 aHaridas, V. uhttps://library.ncl.res.in/content/engineering-molecular-topology-pseudopeptidic-macrocyclic-figure-eight-motif01354nas a2200157 4500008004100000245008800041210007100129260000800200300001400208490000700222520078100229100002201010700001801032700002001050856012601070 2017 eng d00aExpeditious and solvent-free nickel-catalyzed C−H arylation of arenes and indoles0 aExpeditious and solventfree nickelcatalyzed C−H arylation of are cAPR a2242-22480 v103 aAn efficient solvent-free nickel-catalyzed method for C−H bond arylation of arenes and indoles has been developed, which proceeds expeditiously through chelation assistance. The reaction is highly selective for mono-arylation and tolerates sensitive and structurally diverse functionalities, such as halides, ethers, amines, indole, pyrrole and carbazole. This reaction represents the first example of a nickel-catalyzed C−H arylation by monochelate assistance and symbolizes a rare precedent in solvent-free C−H arylation. Mechanistic investigations by various controlled reactions, kinetic studies, and deuterium labeling experiments suggest that the arylation follows a single electron transfer (SET) pathway involving the turnover-limiting C−H nickelation process.1 aJagtap, Rahul, A.1 aSoni, Vineeta1 aPunji, Benudhar uhttps://library.ncl.res.in/content/expeditious-and-solvent-free-nickel-catalyzed-c%E2%88%92h-arylation-arenes-and-indoles01160nas a2200181 4500008004100000245011000041210006900151260000800220300001600228490000700244520048800251100002900739700001800768700001700786700002700803700002200830856012600852 2017 eng d00aFacile synthesis of N-acyl 2-aminobenzothiazoles by NHC-catalyzed direct oxidative amidation of aldehydes0 aFacile synthesis of Nacyl 2aminobenzothiazoles by NHCcatalyzed d cJAN a1478 - 14810 v533 aA mild, general, and high yielding synthesis of N-acyl 2-aminobenzothiazoles has been demonstrated by N-heterocyclic carbene (NHC)-organocatalyzed direct amidation of aldehydes with 2-aminobenzothiazoles proceeding via acyl azolium intermediates. The carbene generated from the triazolium salt under oxidative conditions was the key for the success of this reaction. The method was subsequently applied to the synthesis of various biologically important N-acyl 2-aminobenzothiazoles.1 aPremaletha, Sethulekshmi1 aGhosh, Arghya1 aJoseph, Sumi1 aReddy, Santhi, Vardhan1 aBiju, Akkattu, T. uhttps://library.ncl.res.in/content/facile-synthesis-n-acyl-2-aminobenzothiazoles-nhc-catalyzed-direct-oxidative-amidation02880nas a2200193 4500008004100000245017800041210006900219260000800288300001200296490000800308520208800316100002102404700002402425700002402449700002102473700003902494700002502533856012802558 2017 eng d00aGlycation inhibitors extend yeast chronological lifespan by reducing advanced glycation end products and by back regulation of proteins involved in mitochondrial respiration0 aGlycation inhibitors extend yeast chronological lifespan by redu cMAR a104-1120 v1563 aAdvanced Glycation End products (AGEs) are implicated in aging process. Thus, reducing AGEs by using glycation inhibitors may help in attenuating the aging process. In this study using Saccharomyces cerevisiae yeast system, we show that Aminoguanidine (AMG), a well-known glycation inhibitor, decreases the AGE modification of proteins in non-calorie restriction (NR) (2% glucose) and extends chronological lifespan (CLS) similar to that of calorie restriction (CR) condition (0.5% glucose). Proteomic analysis revealed that AMG back regulates the expression of differentially expressed proteins especially those involved in mitochondrial respiration in NR condition, suggesting that it switches metabolism from fermentation to respiration, mimicking CR. AMG induced back regulation of differentially expressed proteins could be possibly due to its chemical effect or indirectly by glycation inhibition. To delineate this, Metformin (MET), a structural analog of AMG and a mild glycation inhibitor and Hydralazine (HYD), another potent glycation inhibitor but not structural analog of AMG were used. HYD was more effective than MET in mimicking AMG suggesting that glycation inhibition was responsible for restoration of differentially expressed proteins. Thus glycation inhibitors particularly AMG, HYD and MET extend yeast CLS by reducing AGEs, modulating the expression of proteins involved in mitochondrial respiration and possibly by scavenging glucose. Significance: This study reports the role of glycation in aging process. In the non-caloric restriction condition, carbohydrates such as glucose promote protein glycation and reduce CLS. While, the inhibitors of glycation such as AMC, HYD, MET mimic the caloric restriction condition by back regulating deregulated proteins involved in mitochondria( respiration which could facilitate shift of metabolism from fermentation to respiration and extend yeast CLS. These findings suggest that glycation inhibitors can be potential molecules that can be used in management of aging. (C) 2017 Elsevier B.V. All rights reserved.1 aKazi, Rubina, S.1 aBanarjee, Reema, M.1 aDeshmukh, Arati, B.1 aPatil, Gouri, V.1 aJagadeeshaprasad, Mashanipalya, G.1 aKulkarni, Mahesh, J. uhttps://library.ncl.res.in/content/glycation-inhibitors-extend-yeast-chronological-lifespan-reducing-advanced-glycation-end03588nas 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-c01434nas 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-cofe2o401785nas 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-oxide02000nas a2200193 4500008004100000245011000041210006900151260000800220300001100228490000800239520128500247100003101532700002701563700002701590700002101617700001801638700002101656856012901677 2017 eng d00aIdentification of new anti-inflammatory agents based on nitrosporeusine natural products of marine origin0 aIdentification of new antiinflammatory agents based on nitrospor cJUL a89-1090 v1353 aNitrosporeusines A and B are two recently isolated marine natural products with novel skeleton and exceptional biological profile. Interesting antiviral activity of nitrosporeusines and promising potential in curing various diseases, evident from positive data from various animal models, led us to investigate their anti-inflammatory potential. Accordingly, we planned and synthesized nitrosporeusines A and B in racemic as well as enantiopure forms. The natural product synthesis was followed by preparation of several analogues, and all the synthesized compounds were evaluated for in vitro and in vivo anti-inflammatory potential. Among them, compounds 25, 29 and 40 significantly reduced levels of nitric oxide (NO), reactive oxygen species (ROS) and pro-inflammatory cytokines. In addition, these compounds suppressed several pro-inflammatory mediators including inducible nitric oxide synthase (iNOS), cyclooxygenase-2 (COX-2), nuclear factor-kappa B (NF -kappa B), and thereby can be emerged as potent anti-inflammatory compounds. Furthermore, all possible isomers of lead compound 25 were synthesized, characterized and profiled in same set of assays and found that one of the enantiomer (-)-25a was superior among them. (C) 2017 Elsevier Masson SAS. All rights reserved.1 aPhilkhana, Satish, Chandra1 aVerma, Abhishek, Kumar1 aJachak, Gorakhnath, R.1 aHazra, Bibhabasu1 aBasu, Anirban1 aReddy, Srinivasa uhttps://library.ncl.res.in/content/identification-new-anti-inflammatory-agents-based-nitrosporeusine-natural-products-marine01937nas a2200205 4500008004100000245014900041210006900190260000800259300001200267490000700279520115700286100002301443700002401466700002301490700002801513700002201541700002001563700002101583856012701604 2017 eng d00aImproved tolerance against helicoverpa armigera in transgenic tomato over-expressing multi-domain proteinase inhibitor gene from capsicum annuum0 aImproved tolerance against helicoverpa armigera in transgenic to cJUL a597-6040 v233 aPlant proteinase inhibitors (PIs) are plant defense proteins and considered as potential candidates for engineering plant resistances against herbivores. Capsicum annuum proteinase inhibitor (CanPI7) is a multi-domain potato type II inhibitor (Pin-II) containing four inhibitory repeat domains (IRD), which target major classes of digestive enzymes in the gut of Helicoverpa armigera larvae. Stable integration and expression of the transgene in T1 transgenic generation, were confirmed by established molecular techniques. Protein extract of transgenic tomato lines showed increased inhibitory activity against H. armigera gut proteinases, supporting those domains of CanPI7 protein to be effective and active. When T1 generation plants were analyzed, they exhibited antibiosis effect against first instar larvae of H. armigera. Further, larvae fed on transgenic tomato leaves showed delayed growth relative to larvae fed on control plants, but did not change mortality rates significantly. Thus, better crop protection can be achieved in transgenic tomato by overexpression of multi-domain proteinase inhibitor CanPI7 gene against H. armigera larvae.1 aTanpure, Rahul, S.1 aBarbole, Ranjit, S.1 aDawkar, Vishal, V.1 aWaichal, Yashashree, A.1 aJoshi, Rakesh, S.1 aGiri, Ashok, P.1 aGupta, Vidya, S. uhttps://library.ncl.res.in/content/improved-tolerance-against-helicoverpa-armigera-transgenic-tomato-over-expressing-multi01377nas a2200157 4500008004100000245014400041210006900185260000800254490000700262520072600269100001800995700001901013700002701032700003001059856013001089 2017 eng d00aInfluences of functionalized nanoclays on morphology and mechanical properties of polyvinyl alcohol based composites by twin-screw extruder0 aInfluences of functionalized nanoclays on morphology and mechani cMAR0 v563 aPolyvinyl alcohol (PVA) based nanocomposites filled with different weight percentage of functionalized nanoclays were prepared by melt processing with a twin-screw extruder. The effective incorporation of amine modified bentonite nanoclays (AMB) in the PVA matrix leads to increase in thermal stability, stress-strain properties. The effect of addition of functionalized nanoclays in PVA matrix exhibits intercalated nanocomposite structure. The thermal decomposition (Td) temperature of the composites increases up to 30 °C, than pristine PVA. The morphology influences were studied by TEM. These clay nanocomposite films could be useful for wound dressing material and for enhancing the moisture absorbance properties.1 aRajeswari, B.1 aMalarvizhi, N.1 aElumalai, Deenadayalan1 aJaisankar, Sellamuthu, N. uhttps://library.ncl.res.in/content/influences-functionalized-nanoclays-morphology-and-mechanical-properties-polyvinyl-alcohol01428nas a2200169 4500008004100000245008300041210006900124260000800193300001200201490000700213520084800220100001901068700001801087700001801105700002201123856011301145 2017 eng d00aIron complex catalyzed selective C-H bond oxidation with broad substrate scope0 aIron complex catalyzed selective CH bond oxidation with broad su cFEB a746-7490 v193 a

The use of a peroxidase-mimicking Fe complex has been reported on the basis of the biuret-modified TAML macrocyclic ligand 'framework (Fe-bTAML) as a catalyst to perform selective oxidation of unactivated 3 degrees C-H bonds and activated 2 degrees C-H bonds with low catalyst loading (1 mol %) and high product yield (excellent mass balance) under near neutral conditions and broad substrate scope (18 substrates which includes arenes, heteroaromatics, and polar functional groups). Aliphatic C-H oxidation of 3 and 2 sites of complex substrates was achieved with predictable selectivity using steric, electronic, and stereoelectronic rules that govern site selectivity, which included oxidation of (+)-artemisinin to (+)-10 beta-hydroxyartemisinin. Mechanistic studies indicate Fe-V(O) to be the active oxidant during these reactions.

1 aJana, Sandipan1 aGhosh, Munmun1 aAmbule, Mayur1 aGupta, Sayam, Sen uhttps://library.ncl.res.in/content/iron-complex-catalyzed-selective-c-h-bond-oxidation-broad-substrate-scope01693nas a2200169 4500008004100000245007500041210006900116260000800185300002500193490000600218520110700224100002001331700002201351700002301373700002501396856010201421 2017 eng d00aIron-based nanocatalyst for the acceptorless dehydrogenation reactions0 aIronbased nanocatalyst for the acceptorless dehydrogenation reac cDEC aArticle Number: 21470 v83 aDevelopment of sustainable catalytic systems for fundamentally important synthetic transformations and energy storage applications is an intellectually stimulating challenge. Catalytic dehydrogenation of feedstock chemicals, such as alcohols and amines to value-added products with the concomitant generation of dihydrogen is of much interest in the context of hydrogen economy and is an effective alternative to the classical oxidation reactions. Despite a number of homogeneous catalysts being identified for the acceptorless dehydrogenation, the use of high price and limited availability of precious metals and poor recovery of the catalyst have spurred interest in catalysis with more earth-abundant alternatives, especially iron. However, no report has described a reusable iron-based heterogeneous catalyst for oxidant-free and acceptorless dehydrogenation reactions. Here we replace expensive noble metal catalysts with an inexpensive, benign, and sustainable nanoscale iron catalyst for the efficient acceptorless dehydrogenation of N-heterocycles and alcohols with liberation of hydrogen gas.1 aJaiswal, Garima1 aLandge, Vinod, G.1 aJagadeesan, Dinesh1 aBalaraman, Ekambaram uhttps://library.ncl.res.in/content/iron-based-nanocatalyst-acceptorless-dehydrogenation-reactions01548nas a2200181 4500008004100000245009200041210006900133260000800202300001400210490000700224520090300231100002001134700002301154700002001177700002301197700002601220856012001246 2017 eng d00aIron-carbon nanohybrid particles as environmentally benign electrode for supercapacitor0 aIroncarbon nanohybrid particles as environmentally benign electr cFEB a1665-16740 v213 a

In this work, we report the synthesis and electrode applications of iron-carbon nanohybrid particles prepared by carbonization of a nanocomposite of FeOOH nanoneedles and melamine-formaldehyde resin. The chemical composition and microstructure of the material have been characterized using ICP-AES, FT-IR, XRD, FESEM, TEM and XPS. The supercapacitor properties of the MF-Fe-C are studied in detail. A thorough comparison of the supercapacitor performances of MF-Fe-C and bare MF-C has been carried out through detailed electrochemical characterisations employing both two and three-electrode techniques. The nanohybrid showed an enhanced energy density of 127.75 WhKg⁻¹, specific capacitance of ∼408 F g⁻¹ at 1 mVs⁻¹ scan rate, and excellent cyclic stability even after 1000 charge-discharge cycles, making it an intriguing material for high energy density supercapacitor devices.

1 aRatha, Satyajit1 aVernekar, Dnyanesh1 aSivaneri, Kavin1 aJagadeesan, Dinesh1 aRout, Chandra, Sekhar uhttps://library.ncl.res.in/content/iron-carbon-nanohybrid-particles-environmentally-benign-electrode-supercapacitor02097nas a2200169 4500008004100000245010400041210006900145260000800214300001400222490000600236520146300242100002501705700003001730700002001760700002101780856012601801 2017 eng d00aIron-catalyzed dehydrogenation reactions and their applications in sustainable energy and catalysis0 aIroncatalyzed dehydrogenation reactions and their applications i cAUG a3177-31950 v73 aInspired by nature, chemists have designed new catalysts in the pursuit of selective bond activation and chemical transformations. Emergent biological systems often use earth-abundant first-row transition elements as catalytically active sites to facilitate specific and highly selective chemical processes. The design of a new catalytic system based on abundant and inexpensive catalysts, particularly the iron-based catalysts, for fundamentally significant synthetic transformations under environmentally benign conditions is an important paradigm in chemical synthesis. In recent times, iron-based catalytic systems have shown unprecedented reactivity in the acceptorless dehydrogenation reactions of feedstock chemicals, with the liberation of molecular hydrogen as the by-product, and have enabled greener chemical synthetic methods and alternative energy storage systems. Indeed, it has been demonstrated that the proper design of iron catalysts by judiciously choosing ligands, can aid in the development of new sustainable energy storage systems and catalysis. This tutorial review focuses on the recent development of iron-based dehydrogenation reactions of fundamentally important feedstock, as a route to sustainable chemical synthesis and energy storage applications. The emerging area of the iron-based dehydrogenation strategy provides an opportunity to make industrially applicable, cost-effective and environmentally benign catalytic systems.1 aBalaraman, Ekambaram1 aNandakumar, Avanashiappan1 aJaiswal, Garima1 aSahoo, Manoj, K. uhttps://library.ncl.res.in/content/iron-catalyzed-dehydrogenation-reactions-and-their-applications-sustainable-energy-and01619nas a2200217 4500008004100000245012100041210006900162260000800231300001400239490000700253520086700260653002501127653001901152653001701171653001101188100001601199700001701215700001801232700001901250856013201269 2017 eng d00aIsobaric vapor-liquid equilibrium data for the binary systems of dimethyl carbonate with xylene isomers at 93.13 kPa0 aIsobaric vaporliquid equilibrium data for the binary systems of  cAUG a2436-24420 v623 aIsobaric binary vapor-liquid equilibrium (VLE) data for dimethyl carbonate with xylene isomers (p-xylene, m-xylene, o-xylene, and ethylbenzene) were measured at the local atmospheric pressure of 93.13 kPa by using a dynamic recirculation still. The experimental VLE data were tested and found to be thermodynamically consistent by Herington and Van Ness consistency test. The experimental VLE data were correlated using the Wilson, NRTL, and UNIQUAC activity coefficient models and binary interactions parameters were estimated using a suitable objective function. The absolute mean deviation between the experimental and the model predicted values of vapor phase composition and total pressure was well within acceptable limits. No azeotrope was observed in any of the binary pairs and appeared to be easy for separation using conventional distillation method. 10aAtmospheric Pressure10abinary mixture10aDistillation10aXylene1 aYadav, S.S.1 aMali, N., A.1 aJoshi, S., S.1 aChavan, P., V. uhttps://library.ncl.res.in/content/isobaric-vapor-liquid-equilibrium-data-binary-systems-dimethyl-carbonate-xylene-isomers-931301887nas a2200181 4500008004100000245011400041210006900155260000800224300001200232490000600244520122000250653002901470653003201499653001601531100001301547700002301560856012201583 2017 eng d00aLarge anion incorporation to improve the performance of large, paper based conducting polymer supercapacitors0 aLarge anion incorporation to improve the performance of large pa cSEP a112-1170 v53 a

Poly(3,4-ethylenedioxythiophene) (PEDOT) is a stable conducting polymer, hence its dispersion is widely used in commercial devices. However, PEDOT's charge storage properties are not impressive. Thus, improvement in charge storage properties of PEDOT will render the possibility of fabricating stable energy storage devices such as supercapacitors. A fundamentally different approach is required to achieve this objective. We envisioned that the charge storage property of PEDOT can be improved by trapping large anions. These ions would facilitate better ion transport into the PEDOT matrix from the electrolyte and increase the efficiency of supercapacitors. Furthermore, a large anion such as triiodide is relatively immobile in the polymer matrix, hence we hypothesize the ions to be trapped in the polymer. To test this hypothesis, triiodide trapped PEDOT based supercapacitors are fabricated on paper substrates. A 1 cm2 triiodide incorporated PEDOT based supercapacitor exhibited a specific capacitance of 486 F/g. On the other hand, PEDOT without triiodide incorporation exhibited a specific capacitance of 221 F/g. Indeed, a device with an area of 32 cm2 exhibited a specific capacitance of 476 F/g.

10aFlexible Supercapacitors10aPaper based Supercapacitors10apolyphenols1 aJain, B.1 aKrishnamoorthy, K. uhttps://library.ncl.res.in/content/large-anion-incorporation-improve-performance-large-paper-based-conducting-polymer02142nas a2200265 4500008004100000245013900041210006900180260000800249300001200257490000800269520122400277100002101501700001401522700002001536700002201556700001901578700002301597700002401620700002101644700001701665700002301682700001901705700002201724856013001746 2017 eng d00aMagnetic reduced graphene oxide loaded hydrogels: highly versatile and efficient adsorbents for dyes and selective Cr(VI) ions removal0 aMagnetic reduced graphene oxide loaded hydrogels highly versatil cDEC a360-3690 v5073 aThe formation of composites of reduced graphene oxide (rGO) and magnetic nanoparticles (MP) has flourished in recent years as they combine the advantages of both nanomaterials. Most of these composite materials are prepared by in situ formation of MP onto rGO or by the post-adsorption onto rGO. We report here on a simple and highly controlled method for the fabrication of different magnetic 3D rGO-loaded hydrogels. Cellulose bound magnetic nanoparticles (MP@cellulose) were synthesized by chemical co-precipitation and loaded together with rGO into poly(ethylene glycol) dimethacrylate based hydrogels during their fabrication using photo-polymerization. The magnetic rGO-loaded hydrogels proved to be highly adaptable to different applications. The as-formed composites allowed for efficient dye removal with an adsorption capacity of 111.9 +/- 4 mg g(-1) in the case of methylene blue (MB). Integration of poly(ethyleneimine) (PEI) allowed for the selective capturing of Cr6+ ions with an adsorption capacity of 313 12 mg g-1. Most importantly, independent of the application, the magnetic rGO-loaded hydrogel can be regenerated without loss of its adsorption capacity. (C) 2017 Elsevier Inc. All rights reserved.1 aHalouane, Fatima1 aOz, Yavuz1 aMeziane, Dalila1 aBarras, Alexandre1 aJuraszek, Jean1 aSingh, Santosh, K.1 aKurungot, Sreekumar1 aShaw, Pankaj, K.1 aSanyal, Rana1 aBoukherroub, Rabah1 aSanyal, Amitav1 aSzunerits, Sabine uhttps://library.ncl.res.in/content/magnetic-reduced-graphene-oxide-loaded-hydrogels-highly-versatile-and-efficient-adsorbents01230nas a2200145 4500008004100000245006800041210006800109260000800177300001200185490000800197520073100205100002300936700002500959856010000984 2017 eng d00aMagnetoelastic properties of terbium substituted cobalt ferrite0 aMagnetoelastic properties of terbium substituted cobalt ferrite cOCT a465-4690 v6853 aThe magnetic properties of terbium substituted cobalt ferrites CoFe(2-x)TbxO(4) (x = 0, 0.05, 0.1, 0.15 and 0.2) prepared by conventional solid state method are studied. The coercivity showed marked increase up to x = 0.1 and saturation magnetization decreased with increasing terbium content. Magnetostriction measurements did not show much decrease in the maximum value of strain but significant increase in the slope of magnetostriction was observed for x = 0.15 with moderate magnetostriction of around 144 ppm. The observed magnetic and magnetostrictive properties can be explained on the basis of structural and microstructural changes arising because of terbium substitution. (C) 2017 Elsevier B.V. All rights reserved.1 aBhame, Shekhar, D.1 aJoy, Pattayil, Alias uhttps://library.ncl.res.in/content/magnetoelastic-properties-terbium-substituted-cobalt-ferrite01527nas a2200217 4500008004100000245014400041210006900185260000800254300001200262490000800274520077600282653001601058653001301074653001401087653001501101653001001116100001501126700001901141700001901160856013001179 2017 eng d00aManganese incorporated on glucose as an efficient catalyst for the synthesis of adipic acid using molecular O2 in aqueous medium0 aManganese incorporated on glucose as an efficient catalyst for t cSEP a122-1250 v5463 aA new manganese incorporated on glucose catalyst Mn@CC-SO3H-NH2 was synthesized and well characterized using FT-IR, PXRD, EDAX, SEM, TEM, [13] C cross-polarization NMR and BET analysis. The catalyst thus synthesized was studied for its utility in the synthesis of industrially important chemical adipic acid starting from readily available cyclohexanone using molecular O2 as a source. Adipic acid was obtained in maximum yield of 82% using Mn@CC-SO3H-NH2 catalyst in water as a solvent. The catalyst was easily recovered and reused for minimum five runs without any significant loss in the yield of products. Using molecular O2 as an oxidant and water as a solvent, the reaction is very important from green chemistry perspectives and can also be industrially feasible. 10aAdipic Acid10aCatalyst10amanganese10arecyclable10aWater1 aNale, S.D.1 aRathod, P., V.1 aJadhav, V., H. uhttps://library.ncl.res.in/content/manganese-incorporated-glucose-efficient-catalyst-synthesis-adipic-acid-using-molecular-o202613nas a2200361 4500008004100000245010900041210006900150260000800219490000600227520145100233100001901684700002801703700001701731700002001748700002001768700001701788700001901805700001901824700002001843700001801863700002501881700002101906700002101927700001801948700001801966700002901984700002302013700002102036700002502057700001602082700002402098856012902122 2017 eng d00aMapping architectural and transcriptional alterations in non-lesional and lesional epidermis in vitiligo0 aMapping architectural and transcriptional alterations in nonlesi cAUG0 v73 aIn vitiligo, chronic loss of melanocytes and consequent absence of melanin from the epidermis presents a challenge for long-term tissue maintenance. The stable vitiligo patches are known to attain an irreversible depigmented state. However, the molecular and cellular processes resulting in this remodeled tissue homeostasis is unclear. To investigate the complex interplay of inductive signals and cell intrinsic factors that support the new acquired state, we compared the matched lesional and non-lesional epidermis obtained from stable non-segmental vitiligo subjects. Hierarchical clustering of genome-wide expression of transcripts surprisingly segregated lesional and non-lesional samples in two distinct clades, despite the apparent heterogeneity in the lesions of different vitiligo subjects. Pathway enrichment showed the expected downregulation of melanogenic pathway and a significant downregulation of cornification and keratinocyte differentiation processes. These perturbations could indeed be recapitulated in the lesional epidermal tissue, including blunting of rete-ridges, thickening of stratum corneum and increase in the size of corneocytes. In addition, we identify marked increase in the putrescine levels due to the elevated expression of spermine/spermidine acetyl transferase. Our study provides insights into the intrinsic self-renewing ability of damaged lesional tissue to restore epidermal functionality in vitiligo.1 aSingh, Archana1 aGotherwal, Vishvabandhu1 aJunni, Paivi1 aVijayan, Vinaya1 aTiwari, Manisha1 aGanju, Parul1 aKumar, Avinash1 aSharma, Pankaj1 aFatima, Tanveer1 aGupta, Aayush1 aHolla, Ananthaprasad1 aKar, Hemanta, K.1 aKhanna, Sangeeta1 aThukral, Lipi1 aMalik, Garima1 aNatarajan, Krishnamurthy1 aGadgil, Chetan, J.1 aLahesmaa, Riitta1 aNatarajan, Vivek, T.1 aRani, Rajni1 aGokhale, Rajesh, S. uhttps://library.ncl.res.in/content/mapping-architectural-and-transcriptional-alterations-non-lesional-and-lesional-epidermis01667nas a2200217 4500008004100000245009500041210006900136260000800205300001200213490000600225520093600231653001301167653002001180653002801200653001201228653001601240100001601256700002601272700003001298856012101328 2017 eng d00aMechanistic aspects of wet and dry CO oxidation on Co3O4 nanorod surfaces: a NAP-UPS study0 aMechanistic aspects of wet and dry CO oxidation on Co3O4 nanorod cMAR a828-8340 v23 a

Catalytic activity, electronic structure, and the mechanistic aspects of Co3O4 nanorod (NR) surfaces have been explored for CO oxidation in dry and wet atmosphere using near-ambient pressure ultraviolet photoelectron spectroscopy. Presence of water with CO + O2 plummets the catalytic activity because of the change in the electronic nature from predominantly oxide (without water in feed) to a Co3O4 surface covered by a few intermediates. However, at ≥375 K, the Co3O4 surface recovers and regains the oxidation activity, at least partially, even in the presence of water. This is fully supported by the changes observed in the work function of Co3O4 under wet (H2O + CO + O2) conditions compared with dry (CO + O2) conditions. This study focuses on the comparative CO oxidation rate on Co3O4 NR surfaces and highlights the changes in the electronic structure that occur in the catalyst during the CO oxidation reaction.

10aCatalyst10aNano Structures10aPower X-Ray Diffraction10aspectra10aWater Vapor1 aJain, Ruchi1 aGnanakumar, Edwin, S.1 aGopinath, Chinnakonda, S. uhttps://library.ncl.res.in/content/mechanistic-aspects-wet-and-dry-co-oxidation-co3o4-nanorod-surfaces-nap-ups-study01407nas a2200169 4500008004100000245008500041210006900126260000800195300001000203490000800213520082300221100001801044700002101062700002301083700001701106856011401123 2017 eng d00aMechanistic study of nucleophilic fluorination promoted by tri-tert-butanolamine0 aMechanistic study of nucleophilic fluorination promoted by trite cMAY a80-860 v1973 aQuantum chemical study is carried out to elucidate the mechanism of S(N)2 fluorination using. CsF promoted by tri-tert-butanolamines. Focus is on the role of the hydroxyl (OH) and the amine functional groups for accelerating the reaction. Our systematic analysis indicates that the OH groups form strong interactions with the nucleophile F-. Thus, it seems that hydrogen bonding with the nucleophile may accelerate the S(N)2 processes rather than retard them, as conventional wisdom suggests. The origin of the experimentally observed improvement of the promotor efficiency in t-butanol solvent over that in CH3CN is examined. We show that the coordination of the solvent t-butanol molecule as Lewis base on the counter-cation Cs+ lowers the Gibbs free energy of activation. (C) 2017 Elsevier B.V. All rights reserved.1 aLee, Sung-Sik1 aJung, Hyun-Kyung1 aShinde, Sandip, S.1 aLee, Sungyul uhttps://library.ncl.res.in/content/mechanistic-study-nucleophilic-fluorination-promoted-tri-tert-butanolamine01424nas a2200157 4500008004100000245013300041210006900174260000800243300001200251490000600263520081300269100001901082700001701101700001901118856012901137 2017 eng d00aMetal free acid base catalyst in the selective synthesis of 2,5-diformylfuran from hydroxynnethylfurfural, fructose, and glucose0 aMetal free acid base catalyst in the selective synthesis of 25di cJAN a701-7070 v53 aA novel metal free acid-base (CC-SO3H-NH2) catalyst was synthesized by introducing acidic -SO3H, -COOH, and silyloxypropylamine (-OSiCH2CH2CH2NH2) functional groups on glucose derived carbocatalyst. The catalyst was characterized by Fourier transform infrared (FTIR), powder X-ray diffraction (PXRD), scanning electron microscopy (SEM), and Brunauer-Emmett-Teller (BET) analyses. Superior catalytic activity was shown by the catalyst toward one-pot synthesis of DFF using molecular oxygen as the sole oxidant. The catalyst was found to be highly selective in synthesis of 2,5-diformylfuran (DFF) from hydroxymethylfurfural (HMF), fructose, and, more importantly, from glucose with excellent yields. Moreover, the catalyst was easily recycled and reused without any significant loss in its catalytic activity.1 aRathod, P., V.1 aNale, S., D.1 aJadhav, V., H. uhttps://library.ncl.res.in/content/metal-free-acid-base-catalyst-selective-synthesis-25-diformylfuran-hydroxynnethylfurfural01059nas a2200157 4500008004100000245010500041210007000146260000800216490000700224520046400231100001500695700001400710700002300724700002200747856013200769 2017 eng d00aMetal-free, brønsted acid-catalyzed formal [3+2] annulation of quinone monoacetals with 2-naphthols0 aMetalfree brønsted acidcatalyzed formal 32 annulation of quinone cSEP0 v823 aAn operationally simple and metal-free cross-coupling of quinone monoacetals (QMAs) with 2-naphthols catalyzed by triflic acid is reported. This formal [3+2] annulation allowed the synthesis of diverse naphtho[2,1-b]benzofuranderivatives in moderate to good yields. Preliminary mechanistic studies reveal the initial nucleophilic substitution of QMAs with 2-naphthols in preference to the mixed acetal formation and subsequent [3,3] sigmatropic rearrangement.1 aJacob, Anu1 aRoy, Tony1 aKaicharla, Trinadh1 aBiju, Akkattu, T. uhttps://library.ncl.res.in/content/metal-free-br%C3%B8nsted-acid-catalyzed-formal-32-annulation-quinone-monoacetals-2-naphthols02357nas a2200181 4500008004100000022001400041245011900055210006900174260000800243300001600251490000800267520167700275100002901952700001601981700002701997700003002024856012102054 2017 eng d a1932-744700aMetallic cobalt to spinel Co3O4-electronic structure evolution by near-ambient pressure photoelectron spectroscopy0 aMetallic cobalt to spinel Co3O4electronic structure evolution by cOCT a21472-214810 v1213 a

In the present study, valence band (VB) and core level photoelectron spectroscopy was carried out to investigate the electronic structural changes from polycrystalline Co to spinel Co3O4, via CoO at near ambient pressures (NAP; similar to 0.1). O-2 Co and H-2-CoOx gas solid oxidative and reductive interactions, respectively, have been explored with UV photons (He I) or low kinetic energy electrons (<= 16 eV) under NAP conditions. Typical VB features of Co metal, CoOx Co3O4, and a mixed phase between any two adjacent features were observed and well corroborated with core level changes. Very significant and characteristic changes were observed with Co 3d features in the VB for each stage from Co oxidation to Co3O4 as well as Co3O4 reduction to CoOx Co(3O)4 and CoO can be reversibly obtained by alternating the conditions between 0.1 mbar of H-2 at 650 K and 0.1 mbar of O 2 at 400 K, respectively. A meaningful correlation is observed between the changes in work function with cation oxidation state; small changes in the stoichiometry can strongly influence the shift in Fermi level and changes in work function under NAP conditions. Reversible work function changes are observed at a constant BE (similar to 5 ev) between oxidation and reduction conditions. While the O 2 p derived feature for CoOx was observed at throughout the redox conditions, the Co 3d band and molecular oxygen or hydrogen vibration feature shifts significantly underscoring the physicochemical changes, such as charge transfer energy and hence changes in satellite intensity. The peak close to E-F originated from the 3d(6)L final state of the octahedral Co3+ 3d band of Co3O4.

1 aReddy, Kasala, Prabhakar1 aJain, Ruchi1 aGhosalya, Manoj, Kumar1 aGopinath, Chinnakonda, S. uhttps://library.ncl.res.in/content/metallic-cobalt-spinel-co3o4-electronic-structure-evolution-near-ambient-pressure03071nas a2200169 4500008004100000245013300041210006900174260000800243300001400251490000600265520242800271100001902699700001902718700002302737700001802760856012302778 2017 eng d00aMicroreactor-based continuous process for controlled synthesis of poly-methyl-methacrylate-methacrylic acid (PMMA) nanoparticles0 aMicroreactorbased continuous process for controlled synthesis of cAPR a3404-34170 v53 aWe have developed a microreactor-based continuous process for synthesizing PMMA nanoparticles (NPs), based on the principle of nanoprecipitation. Our objective was to identify the critical parameters governing the size of nanoparticles, produced in microreactors, to enable reproducible synthesis of mono-disperse particles. Experiments were carried out in a microreactor, where parameters like flow rates of aqueous and organic phases, residence time and polymer concentrations were varied to examine their influence on particle size and homogeneity. The results from Dynamic Light Scattering confirmed that the particle size decreased with decreasing residence time, whereas when the aqueous to organic phase flow rate ratio was changed sequentially from 9 : 1, 4 : 1, 7 : 3, 3 : 2, to 1 : 1 (v/v), the particle size increased. Particles fabricated using a microreactor demonstrated a narrow and homogenous distribution, thus confirming their monodispersity. TEM, SEM and XRD were also performed for morphology analysis and phase identification of the particles. Further, paclitaxel encapsulated PMMA nanoparticles were prepared using the microreactor, demonstrating an increase in mean size of around 30 nm and a slightly higher polydispersity index compared to the blank nanoparticles. The drug encapsulation efficiency and drug release kinetics of these nanoparticles were comparable to those prepared in batch-experiments, thus establishing the suitability of the technology for preparing drug-loaded nanoparticles. Also, it was observed that at all the residence times (10 min to 10 s), about 80% of the polymer got transformed into nanoparticulate form, thus confirming the efficiency of the microreactor. In recent times, much work has been conducted to synthesize polymeric nanoparticles using different types of microreactors, but they lack detailed investigation of the effect of various parameters on the physiochemical properties of the resulting particles. Our investigation synthesizes PMMA NPs, using microreactor technology, for the very first time, to the best of our knowledge. Furthermore, we have performed a detailed analysis of the influence of various process parameters on the size and uniformity of the resulting nanoparticles. These critical parameters can serve as a useful tool to synthesize a myriad of nanoparticles of alternative polymers, using microreactor technology.1 aDobhal, Anurag1 aKulkarni, Amol1 aDandekar, Prajakta1 aJain, Ratnesh uhttps://library.ncl.res.in/content/microreactor-based-continuous-process-controlled-synthesis-poly-methyl-methacrylate01578nas a2200193 4500008004100000245018700041210006900228260000800297300001400305490000700319520079000326100002201116700002101138700002501159700002701184700001601211700002501227856013201252 2017 eng d00aMicrowave-assisted synthesis of 5-substituted 1H-tetrazoles via [3+2] cycloaddition over a heterogeneous Cu-based catalyst: application to the preparation of N-13-labelled tetrazoles0 aMicrowaveassisted synthesis of 5substituted 1Htetrazoles via 32  cAUG a8084-80910 v413 aThe [3+2] cycloaddition between various nitriles and sodium azide proceeds smoothly in the presence of a new Cu-II catalyst in N-methyl-2-pyrrolidone (NMP) to give the corresponding 5-substituted 1H-tetrazoles. The desired tetrazoles were obtained in high yields within 3-30 min by employing controlled microwave heating. The reaction most probably proceeds through the activation of the nitrile groups by the Cu-II species, followed by a successive [3+2] cycloaddition with the sodium azide. The good performance of the catalyst enabled the preparation of selected tetrazoles labelled with the positron emitter nitrogen-13 even under conventional heating. The short reaction time, simple work-up procedure, and recyclability of the catalyst are advantages of the method reported here.1 aJoshi, Sameer, M.1 aMane, Rasika, B.1 aPulagam, Krishna, R.1 aGomez-Vallejo, Vanessa1 aLlop, Jordi1 aRode, Chandrashekhar uhttps://library.ncl.res.in/content/microwave-assisted-synthesis-5-substituted-1h-tetrazoles-32-cycloaddition-over-heterogeneous02700nas a2200349 4500008004100000022001400041245011800055210006900173260000800242490000700250520161600257653000901873653001201882653001801894653002601912653001101938653001801949653001901967653001801986653002202004653002402026653001502050653001202065653002702077100002502104700002002129700002002149700002002169700001902189700001902208856012302227 2017 eng d a0928-493100aMultifunctional inulin tethered silver-graphene quantum dots nanotheranostic module for pancreatic cancer therapy0 aMultifunctional inulin tethered silvergraphene quantum dots nano cSEP0 v783 a

Cancer nanotechnology is an emerging area of cancer diagnosis and therapy. Although considerable progress has been made for targeted drug delivery systems to deliver anticancer agents to particular site of interest, new nanomaterials are frequently being developed and explored for better drug delivery efficiency. In the present work, we have explored a novel nanoformulation based on silver-graphene quantum dots (Ag-GQDs) nanocomposite for its successful implementation for pancreatic cancer specific drug delivery in wistar rats. Carboxymethyl inulin (CMI); a modified variant of natural polysaccharide inulin is tethered with the nanocomposite via carbodiimide coupling to enhance the biocompatibility of nanoformulation. Experiments are performed to investigate the cytotoxicity reduction of silver nanoparticles after inulin tethering as well as anticancer efficacy of the system using 5-Fluorouracil (5-FU) as model drug. SEM, TEM, FT-IR, UV-vis, photoluminescence and anti proliferative assays (MTT) are performed for characterisation of the nanocomposite. Hyaluronic acid (HA) is conjugated as targeting moiety for CD-44 (cancer stem cell marker) to fabricate a complete targeted drug delivery vehicle specific for pancreatic cancer. In the present work two prime objectives were achieved; mitigation the toxicity of silver nanoparticles by inulin coating and it's in vivo application for pancreatic cancer. (C) 2017 Elsevier B.V. All rights reserved.

10aacid10aDextran10aDrug-delivery10agraphene quantum dots10aInulin10aNanocomposite10aNanocomposites10aNanoparticles10aPancreatic Cancer10aSilver nanoparticle10aStrategies10aSystems10aTargeted Drug Delivery1 aJoshi, Preeti, Nigam1 aAgawane, Sachin1 aAgawane, Sachin1 aAgawane, Sachin1 aSarkar, Dhiman1 aSarkar, Dhiman uhttps://library.ncl.res.in/content/multifunctional-inulin-tethered-silver-graphene-quantum-dots-nanotheranostic-module01720nas a2200205 4500008004100000245013500041210006900176260000800245520093500253100002201188700002401210700002001234700001901254700001801273700002601291700001601317700003001333700002001363856013101383 2017 eng d00aMultiple functionalities of Ni nanoparticles embedded in carboxymethyl guar gum polymer: catalytic activity and superparamagnetism0 aMultiple functionalities of Ni nanoparticles embedded in carboxy cJAN3 aComposites comprising of metallic nanoparticles in polymer matrices have allured significant importance due to multifunctionalities. Here a simple protocol has been described to embed Ni nanoparticles in carboxymethyl guar gum (CMGG) polymer. The composite formation helps in the stabilization of Ni nanoparticles which are otherwise prone towards aerial oxidation. Further the nanoparticles retain their superparamagnetic nature and catalytic capacity. Ni-Polymer composite catalyses the reduction of 4-Nitrophenol to 4-Aminophenol very efficiently in presence of NaBH4, attaining a complete conversion under some experimental conditions. Ni-Polymer composite is well characterized using UV–vis spectroscopy, FTIR, XPS, powder XRD, TGA, SEM and TEM. A detailed magnetic measurement using superconducting quantum interference device-vibrating sample magnetometer (SQUID-VSM) reveals superparamagnetic behaviour of the composite.1 aSardar, Debasmita1 aSengupta, Manideepa1 aBordoloi, Ankur1 aAhmed, Md., A.1 aNeogi, S., K.1 aBandyopadhyay, Sanjoy1 aJain, Ruchi1 aGopinath, Chinnakonda, S.1 aBala, Tanushree uhttps://library.ncl.res.in/content/multiple-functionalities-ni-nanoparticles-embedded-carboxymethyl-guar-gum-polymer-catalytic03488nas a2200241 4500008004100000245011200041210006900153260000800222300000900230490000800239520264200247100002202889700001602911700002002927700003902947700002502986700001803011700002903029700002003058700002203078700002103100856012503121 2017 eng d00aMultipronged quantitative proteomics reveals serum proteome alterations in breast cancer intrinsic subtypes0 aMultipronged quantitative proteomics reveals serum proteome alte cJUN a1-130 v1633 aBeing molecularly heterogeneous, breast cancer tends to be a complicated oncological disease with high incidence rates throughout the world. The primary aim of this study was to identify the set of serum proteins with discriminatory capabilities towards the four major subtypes of breast cancer. We employed multipronged quantitative proteomic approaches like 2D-DIGE, iTRAQ and SWATH-MS and identified 307 differentially regulated proteins. Luminal A subtype consisted of 24, Luminal B subtype 38, HER2 Enriched subtype 17 and Triple negative breast cancer subtype 10 differentially regulated subtype specific proteins. These specific proteins were further subjected to bioinformatic tools which revealed the involvement in platelet degranulation, fibrinolysis, lipid metabolism, immune response, complement activation, blood coagulation, glycolysis and cancer signaling pathways in the subtypes of the breast cancer. The significant discrimination efficiency of the models generated through multivariate statistical analysis was decent to distinguish each of the four subtypes from controls. Further, some of the statistically significant differentially regulated proteins were verified and validated by immunoblotting and mass spectrometry based selected reaction monitoring (SRM) approach. Our Multipronged proteomics approaches revealed panel of serum proteins specifically altered for individual subtypes of breast cancer. The mass spectrometry data are available via ProteomeXchange with identifier PXD006441. Biological significance: Worldwide, breast cancer continues to be one of the leading causes of cancer related deaths in women and it encompasses four major molecular subtypes. As breast cancer treatment majorly depends on identification of specific subtype, it is important to diagnosis the disease at subtype level. Our results using multipronged quantitative proteomics identified 307 differentially regulated proteins in which 24 were specific for Luminal A, 38 for Luminal B, 17 for HER2 enriched and 10 proteins were specific for TN subtype. Bioinformatic analysis of these proteins revealed certain biological processes and pathways altered at subtype level and validation experiments of some of these proteins using immunoblotting and SRM assays are consistent with discovery data. This is the first comprehensive proteomic study on serum proteome alterations at subtype level which will not only help to distinguish subtype of breast cancer but also contribute to a better understanding of the molecular characteristic of breast cancer at individual subtype level. (C) 2017 Elsevier B.V. All rights reserved.1 aGajbhiye, Akshada1 aDabhi, Raju1 aTaunk, Khushman1 aJagadeeshaprasad, Mashanipalya, G.1 aRoyChoudhury, Sourav1 aMane, Anupama1 aBayatigeri, Santhakumari1 aChaudhury, Koel1 aSantra, Manas, K.1 aRapole, Srikanth uhttps://library.ncl.res.in/content/multipronged-quantitative-proteomics-reveals-serum-proteome-alterations-breast-cancer01208nas a2200193 4500008004100000245006200041210005600103260000800159300001600167490000700183520060300190100001700793700002300810700002200833700001800855700003100873700002200904856008800926 2017 eng d00aN - heterocyclic - carbene - catalyzed umpolung of imines0 aN heterocyclic carbene catalyzed umpolung of imines cMAR a2730 - 27340 v563 a

N-Heterocyclic carbene (NHC) catalysis has been widely used for the umpolung of aldehydes, and recently for the umpolung of Michael acceptors. Described herein is the umpolung of aldimines catalyzed by NHCs, and the reaction likely proceeds via aza-Breslow intermediates. The NHC-catalyzed intramolecular cyclization of aldimines bearing a Michael acceptor resulted in the formation of biologically important 2-(hetero)aryl indole 3-acetic-acid derivatives in moderate to good yields. The carbene generated from the bicyclic triazolium salt was found to be efficient for this transformation.

1 aPatra, Atanu1 aMukherjee, Subrata1 aDas, Tamal, Kanti1 aJain, Shailja1 aGonnade, Rajesh, Ghanshyam1 aBiju, Akkattu, T. uhttps://library.ncl.res.in/content/n-heterocyclic-carbene-catalyzed-umpolung-imines02069nas a2200241 4500008004100000245009300041210006900134260000800203300001600211490000600227520124200233100002401475700002701499700002301526700002301549700002201572700002101594700002901615700002101644700001601665700002201681856012401703 2017 eng d00aNIR light-triggered shrinkable thermoresponsive PNVCL nanoshells for cancer theranostics0 aNIR lighttriggered shrinkable thermoresponsive PNVCL nanoshells  cSEP a44026-440340 v73 aFor the localized treatment of a tumor in a more controlled fashion, several stimuli-responsive nanocarriers and minimally or non-invasive techniques like photothermal therapy (PTT) have emerged. However, PTT is limited to only treatment of small and superficial tumors due to the inability of NIR light to penetrate more and kill the core cells of large and deep-seated tumors. As a preliminary step towards addressing the problem, NIR light-triggered thermoresponsive theranostic nanoshell consisting of chitosan-grafted poly(N-vinyl caprolactam) as core and biocompatible gold as shell (Au PNVCL NS) are synthesized and well characterized by various techniques. PNVCL is polymerized from N-vinyl caprolactam using free radical polymerization method, and chitosan is grafted to raise its lower critical solution temperature (LCST) to hyperthermic temperature (∼43 °C). Surface plasmon resonant gold shell over PNVCL NPs core is assembled by ascorbic acid-driven in situ reduction. Core to shell diameter ratio is controlled to tune the peak in NIR region (750 nm). Therapeutic potential of Au PNVCL NS is determined over breast cancer cells MCF-7, while diagnostic potential is compared with the commercial contrast agent-Omnipaque.1 aChauhan, Deepak, S.1 aSingaravelu, Indulekha1 aGottipalli, Rupesh1 aReddy, Pradeep, K.1 aChikate, Tanmayee1 aGupta, Ramkrishn1 aJahagirdar, Dushyant, N.1 aPrasad, Rajendra1 aDe, Abhijit1 aSrivastava, Rohit uhttps://library.ncl.res.in/content/nir-light-triggered-shrinkable-thermoresponsive-pnvcl-nanoshells-cancer-theranostics01240nas a2200169 4500008004100000245006500041210006400106260000800170300002700178490000700205520067100212100002600883700002000909700002400929700002200953856009500975 2017 eng d00aNonlinear Fowler-Nordheim behavior of a single SnO2 nanowire0 aNonlinear FowlerNordheim behavior of a single SnO2 nanowire cMAR aArticle Number: 02C1050 v353 aThe present work deals with the field emission study on multiple SnO2 nanowires synthesized by a simple thermal evaporation method. The randomly oriented multiple nanowires grown by the vapor-liquid-solid mechanism exhibit low turn on field (0.8V/mu m defined for the current density of 1 mu A/cm(2)) and linear Fowler-Nordheim nature (FN). However, for the understanding of the nature of the FN plot, field emission behavior of a single SnO2 nanowire is investigated. The FN plot is observed to be nonlinear in nature. A simple model explaining the field emission mechanism from the semiconducting single SnO2 nanowire is proposed. (C) 2017 American Vacuum Society.1 aJoshi, Padmashree, D.1 aJoag, Dilip, S.1 aLate, Dattatray, J.1 aMulla, Imtiaz, S. uhttps://library.ncl.res.in/content/nonlinear-fowler-nordheim-behavior-single-sno2-nanowire02068nas a2200241 4500008004100000245012300041210006900164260000800233300000800241490000800249520125500257653002901512653000801541653002301549653001801572100001701590700001401607700001901621700001901640700001701659700002101676856012901697 2017 eng d00aNovel interaction study of Th(IV) and Zr(IV) with 4-sulfonatocalix[6]arene: experimental and theoretical investigation0 aNovel interaction study of ThIV and ZrIV with 4sulfonatocalix6ar cNOV a1370 v1373 a

Calixarenes based ligands are well known in the extraction of heavy metal ions. The modifications at lower as well as upper rim increase the new possibilities of metal extraction in terms of quantum and selectivity of metal. In comparison to calix[4]arene, complexing nature of calix[6]arene is less studied due to its large size and flexible nature. In the present study, 4-sulfonatocalix[6]arene (SCX6) is synthesized and an attempt has been made to understand its complexation behavior with Th(IV) and Zr(IV) metal ions. The effect of different solvents has been examined along with calculation of binding constants for better complexation possibilities. Though in general, its complexation proves to be at 1:1 stoichiometry with respect to ligand and metal, the specific metals show its characteristic modes of interaction with the ligand. This has been understood through IR spectroscopic analysis and density functional theory based first principle studies. 1H NMR spectra of SCX6 and its complexes with Th(IV) and Zr(IV) metal ions was established. IR, UV–Vis, fluorescence spectroscopic studies provided a systematic understanding about the binding behavior of these two metals including interference possibilities from other metals.

10a4-Sulfonatocalix[6]arene10aDFT10ametal complexation10aTh(IV) Zr(IV)1 aRathod, N.V.1 aJoshi, K.1 aKalyani, V., S1 aJadhav, A., S.1 aSelvaraj, K.1 aMalkhede, D., D. uhttps://library.ncl.res.in/content/novel-interaction-study-thiv-and-zriv-4-sulfonatocalix6arene-experimental-and-theoretical01526nas a2200181 4500008004100000245005200041210005100093260000800144300002800152490000800180520095500188100002801143700002401171700002301195700002401218700001901242856008301261 2017 eng d00aOptical antenna effect on SiNWs/CuS photodiodes0 aOptical antenna effect on SiNWsCuS photodiodes cMAY aArticle Number: 16006350 v2143 aOne-dimensional architectures between silicon nanowires (SiNWs) and CuS were fabricated by radio-frequency (RF) magnetron sputtering and analyzed for solid-state photodetector application. Inspired by the subwavelength optical concentration by the surface plasmons on metal nanostructures at the nanoscale, we investigated the effect of gold nanorods (AuNRs) on the optical absorption and photodetection properties of the heterojunction photodiode. AuNRs acting as an optical trapping antenna enhances the light absorption, consequently boosting the photocurrent from the device. A maximum photoresponsivity of 0.36 mA W-1 was achieved under 665 nm excitation wavelength independent of the bias, a value similar to 13 times higher than for the heterojunction photodiode without AuNRs. Such plasmonic sensitization can be useful for improving the sensitivity of visible as well as IR photodetectors. (C) 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim1 aYenchalwar, Sandeep, G.1 aRondiya, Sachin, R.1 aShinde, Pravin, N.1 aJadkar, Sandesh, R.1 aShelke, M., V. uhttps://library.ncl.res.in/content/optical-antenna-effect-sinwscus-photodiodes03063nas a2200361 4500008004100000245013600041210006900177260000800246490000700254520182400261653003802085653001502123653002002138653002202158653001802180653003602198653001602234653002602250653003202276653002102308653002102329653001702350653002002367653002802387653001902415100001902434700001902453700002302472700003702495700002102532700001902553856012902572 2017 eng d00aOral feeding with polyunsaturated fatty acids fosters hematopoiesis and thrombopoiesis in healthy and bone marrow-transplanted mice0 aOral feeding with polyunsaturated fatty acids fosters hematopoie csep0 v473 a

Hematopoietic stem cells play the vital role of maintaining appropriate levels of cells in blood. Therefore, regulation of their fate is essential for their effective therapeutic use. Here we report the role of polyunsaturated fatty acids (PUFAs) in regulating hematopoiesis which has not been explored well so far. Mice were fed daily for 10 days with n-6/n-3 PUFAs, viz. linoleic acid (LA), arachidonic acid (AA), alpha-linolenic acid and docosahexanoic acid (DHA) in four separate test groups with phosphate-buffered saline fed mice as control set. The bone marrow cells of PUFA-fed mice showed a significantly higher hematopoiesis as assessed using side population, Lin-Sca-1(+)ckit+, colony-forming unit (CFU), long-term culture, CFU-spleen assay and engraftment potential as compared to the control set. Thrombopoiesis was also stimulated in PUFA-fed mice. A combination of DHA and AA was found to be more effective than when either was fed individually. Higher incorporation of PUFAs as well as products of their metabolism was observed in the bone marrow cells of PUFA-fed mice. A stimulation of the Wnt, CXCR4 and Notch1 pathways was observed in PUFA-fed mice. The clinical relevance of this study was evident when bone marrow-transplanted recipient mice, which were fed with PUFAs, showed higher engraftment of donor cells, suggesting that the bone marrow microenvironment may also be stimulated by feeding with PUFAs. These data indicate that oral administration of PUFAs in mice stimulates hematopoiesis and thrombopoiesis and could serve as a valuable supplemental therapy in situations of hematopoietic failure. (C) 2017 Elsevier Inc. All rights reserved.

10aBone Marrow Transplantation (Bmt)10aCord Blood10aDown-regulation10aEx-vivo Expansion10aHematopoiesis10aHematopoietic Stem Cells (Hscs)10aLipid rafts10aMyocardial-infarction10aPolyunsaturated Fatty Acids10aProgenitor Cells10aProstaglandin-e210aSelf-renewal10aSpleen Colonies10aStem-cell Proliferation10aThrombopoiesis1 aLimbkar, Kedar1 aDhenge, Ankita1 aJadhav, Dipesh, D.1 aThulasiram, Hirekodathakallu, V.1 aKale, Vaijayanti1 aLimaye, Lalita uhttps://library.ncl.res.in/content/oral-feeding-polyunsaturated-fatty-acids-fosters-hematopoiesis-and-thrombopoiesis-healthy00966nas a2200145 4500008004100000245011300041210006900154260000800223300001500231490000800246520040300254100001300657700002300670856012700693 2017 eng d00aOrganocatalytic Enantioselective Vinylogous Michael-Aldol Cascade for the Synthesis of Spirocyclic Compounds0 aOrganocatalytic Enantioselective Vinylogous MichaelAldol Cascade cAUG a 1023-10280 v2463 aNanoscopic spheres of poly(3,4-ethylenedioxythiophene) from its poly(styrene sulfonate) stabilised dispersion was converted to nanofibers by acid treatment. The nanofibers showed a conductivity of 1800 S/cm. The specific capacitance of nanofiber based supercapcitors increased by 10 times compared to nanospeheres. The specific capacitance and power density were found to be 288 F/g and 9491 W/kg. 1 aJain, B.1 aKrishnamoorthy, K. uhttps://library.ncl.res.in/content/organocatalytic-enantioselective-vinylogous-michael-aldol-cascade-synthesis-spirocyclic01364nas a2200193 4500008004100000245016500041210006900206260000800275300001400283490000700297520060700304100002400911700002200935700001900957700001700976700002400993700002601017856012701043 2017 eng d00aOrganocatalyzed efficient one-pot synthesis, biological evaluation, and molecular docking studies of 4,4-(Arylmethylene)bis-(3-methyl-1-phenyl-1H-pyrazol-5-ols)0 aOrganocatalyzed efficient onepot synthesis biological evaluation cMAR a1109-11200 v543 aThe synthesis of 4,4-(arylmethylene)bis-(3-methyl-1-phenyl-1H-pyrazol-5-ol) derivatives catalyzed by ?-proline is a simple, versatile, and efficient method. In vitro antioxidant, anti-inflammatory, and antimicrobial activities of compounds 4a, 4b, 4c, 4d, 4e, 4f, 4g, 4h, 4i, 4j were studied. Furthermore, to rationalize the observed anti-inflammatory activity data, molecular docking study has been performed against COX-2 enzyme which revealed a good binding affinity for these molecules and could provide an insight into the various bonded and non-bonded interactions guiding their binding affinity.1 aMahajan, Pravin, S.1 aNikam, Mukesh, D.1 aKhedkar, Vijay1 aJha, Prakash1 aBadadhe, Pravin, V.1 aGill, Charansingh, H. uhttps://library.ncl.res.in/content/organocatalyzed-efficient-one-pot-synthesis-biological-evaluation-and-molecular-docking01063nas a2200169 4500008004100000245007600041210006900117260000800186300001600194490000700210520048200217100002100699700002000720700002000740700002500760856010800785 2017 eng d00aOrgano-photoredox catalyzed oxidative dehydrogenation of N-heterocycles0 aOrganophotoredox catalyzed oxidative dehydrogenation of Nheteroc cOCT a14167-141720 v233 aWe report here for the first time the catalytic oxidative dehydrogenation of N-heterocycles by a visible-light organo-photoredox catalyst with low catalyst loading (0.1-1mol%). The reaction proceeds efficiently under base- and additive-free conditions with ambient air at room temperature. The utility of this benign approach is demonstrated by the synthesis of various pharmaceutically relevant N-heteroarenes such as quinoline, quinoxaline, quinazoline, acridine, and indole.1 aSahoo, Manoj, K.1 aJaiswal, Garima1 aRana, Jagannath1 aBalaraman, Ekambaram uhttps://library.ncl.res.in/content/organo-photoredox-catalyzed-oxidative-dehydrogenation-n-heterocycles01210nas a2200145 4500008004100000245009000041210006900131260000800200300001400208490000700222520068400229100001900913700001700932856011500949 2017 eng d00aPalladium incorporated on carbonaceous catalyst for Suzuki coupling reaction in water0 aPalladium incorporated on carbonaceous catalyst for Suzuki coupl cMAR a1006-10090 v583 aA new palladium incorporated carbonaceous catalyst Pd@CC SO3H -NH2 was synthesized by introducing palladium on glucose derived carbocatalyst. The catalyst was well characterized and was used for the Suzuki coupling of phenyl boronic acid with different aryl halides under aqueous conditions. This green methodology represents a ligand free, cost-effective and operationally convenient method for the synthesis of a variety of biaryl's under the conditions that are tolerant for a broad range of functional groups with good to excellent yields. Moreover, the catalyst could be easily recycled and reused at least five times without any significant loss of its catalytic activity. 1 aRathod, P., V.1 aJadhav, V.H. uhttps://library.ncl.res.in/content/palladium-incorporated-carbonaceous-catalyst-suzuki-coupling-reaction-water01615nas a2200229 4500008004100000245012500041210006900166260000800235300001200243490000800255520084600263653001901109653001701128653001401145653000901159653002801168100001301196700001401209700001701223700001601240856012901256 2017 eng d00aPalladium supported ionic liquid phase catalyst (Pd@SILP-PS) for room temperature Suzuki-Miyaura cross-coupling reaction0 aPalladium supported ionic liquid phase catalyst PdSILPPS for roo cDEC a126-1320 v4423 a

A new Pd-SILP based on amino functionalized imidazolium ionic liquid immobilized on Merrifield resin (Pd@SILP-PS) has been synthesized. The catalyst was characterized by different techniques like FT-IR, SEM-EDS, TEM, TGA-DTA and XPS. The catalyst has shown to be highly active in Suzuki-Miyaura cross-coupling reaction of various aryl halides and aryl boronic acids in ethanol at room temperature. The activity of catalyst and the nature of product were highly dependent on the type of the solvent used, as well as the substituents present on the aryl halides. The protic polar solvent ethanol gave desired cross-coupling product in good to excellent yields at room temperature. However the aprotic polar solvent THF gave homocoupling product. The catalyst showed at least five times recyclability without a decrease in product yield.

10aImmobilization10aIonic liquid10aPalladium10aSILP10aSuzuki-Miyaura reaction1 aMore, S.1 aJadhav, S1 aSalunkhe, R.1 aKumbhar, A. uhttps://library.ncl.res.in/content/palladium-supported-ionic-liquid-phase-catalyst-pdsilp-ps-room-temperature-suzuki-miyaura02595nas a2200217 4500008004100000245020500041210006900246260000800315300001200323490000600335520173500341100002002076700001802096700002402114700002602138700001702164700002702181700002202208700001802230856012902248 2017 eng d00aPilot-scale pretreatments of sugarcane bagasse with steam explosion and mineral acid, organic acid, and mixed acids: synergies, enzymatic hydrolysis efficiencies, and structure-morphology correlations0 aPilotscale pretreatments of sugarcane bagasse with steam explosi cSEP a179-1890 v73 aIn lignocellulosic (LC) ethanol processes, to facilitate enzymatic hydrolysis of cellulose, a physical chemical pretreatment is vital. In this study, we explored a single as well as a two-step physical-chemical pretreatment involving steam and mixed acid on unwashed sugarcane bagasse at pilot-scale level in a continuous horizontal reactor. To serve as a large-scale model, pretreatments were carried out at high solid levels of 18–20 % w/w. For the pretreatment, partial replacement of corrosive sulfuric acid with a milder acid-like oxalic acid was explored to derive possible advantages and synergies accruing by using a mixture of mineral acid and organic acid. The results of this work showed that first-step pretreatment carried out by the mixing of sulfuric acid (1.5 % w/w) and oxalic acid (1.5 % w/w) at 150 °C followed by a second-step steam explosion pretreatment at 180 °C gave significant synergies and advantages over other variants of pretreatments investigated, such as lower inhibitor levels and lower reaction severity. On post-pretreated bagasse, this study conducted comparative enzymatic hydrolysis study using a simple lab enzyme and a robust commercial enzyme. It was found that the addition of Tween 80 to the lab enzyme improved its performance to match the performance of the commercial enzyme. Scanning electron microscopy (SEM) studies were further carried out to correlate the morphology of pretreated samples with efficiency of enzyme hydrolysis. Besides morphological study, Fourier transform infrared (FTIR) studies of pretreated samples showed higher syringyl/guaiacyl ratio for all pretreatments, indicating lower levels of pseudo-lignins, which is beneficial for improved enzyme hydrolysis.1 aPal, Siddhartha1 aJoy, Shereena1 aKumbhar, Pramod, S.1 aTrimukhe, Kalpana, D.1 aGupta, Rishi1 aKuhad, Ramesh, Chander1 aVarma, Anjani, J.1 aShankar, Sasi uhttps://library.ncl.res.in/content/pilot-scale-pretreatments-sugarcane-bagasse-steam-explosion-and-mineral-acid-organic-acid02108nas a2200193 4500008004100000245012100041210006900162260000800231300001400239490000700253520138400260100001601644700002501660700002201685700003101707700002601738700002001764856013001784 2017 eng d00aPlacental proteomics provides insights into pathophysiology of pre-eclampsia and predicts possible markers in plasma0 aPlacental proteomics provides insights into pathophysiology of p cFEB a1050-10600 v163 a

Pre-eclampsia is a hypertensive disorder characterized by the new onset of hypertension >140/90 mmHg and proteinuria after the 20th week of gestation. The disorder is multi-factorial and originates with abnormal placentation. Comparison of the placental proteome of normotensive (n=25) and pre-eclamptic (n=25) patients by gel-free proteomic techniques, identified a total of 2145 proteins in the placenta of which 180 were differentially expressed (>1.3 fold, p<0.05). Gene ontology enrichment analysis of biological process suggested that the differentially expressed proteins belonged to various physiological processes such as angiogenesis, apoptosis, oxidative stress, hypoxia, placental development, which are implicated in the pathophysiology of pre-eclampsia. Some of the differentially expressed proteins were monitored in the plasma by multiple reaction monitoring (MRM) analysis, which showed an increase in Apolipoprotein AI and AII in gestational week 26-30th (2-fold, p<0.01) while haptoglobin and hemopexin decreased in gestational week 26-30th and 40th week/at delivery (1.8 fold, p<0.01) in pre-eclamptic patients. This study provides a proteomic insight into the pathophysiology of pre-eclampsia. Identified candidate proteins can be evaluated further for the development of potential biomarkers associated with pre-eclampsia pathogenesis.

1 aMary, Sheon1 aKulkarni, Mahesh, J.1 aMalakar, Dipankar1 aJoshi, Sadhana, Ramchandra1 aMehendale, Savita, S.1 aGiri, Ashok, P. uhttps://library.ncl.res.in/content/placental-proteomics-provides-insights-pathophysiology-pre-eclampsia-and-predicts-possible01786nas a2200193 4500008004100000245007700041210006900118260000800187300001400195490000700209520115700216100001901373700001801392700002101410700002201431700001801453700001801471856010301489 2017 eng d00aPolylactic acid (PLA) biocomposites filled with waste leather buff (WLB)0 aPolylactic acid PLA biocomposites filled with waste leather buff cDEC a1099-11090 v253 aA large amount of leather waste is generated from tanning industries and most of which are disposed of landfill or discharged into the natural water bodies without any treatment, causing environmental problems. The aim of this study is to develop eco-biocomposites using waste leather buff (WLB) as filler in Polylactic acid (PLA) matrix to reduce the environmental issues and provide sustainable solution. WLB/PLA composites were prepared by twins-screw micro extruder varying the WLB content from 2% to 30 wt%. These composite were extensively characterise by several techniques. Tensile properties of the composites showed addition of WLB resulted in improvement of tensile property of composite and reduction in percentage crystallinity of PLA matrix observed with increase in WLB content. The effect of WLB on properties of interfacial adhesion and dispersion in WLB/PLA composites were studied by SEM. Wettability of composites was tested by contact angle and water absorption studies. WLB/PLA composite showed increase in water absorption with WLB loading. These WLB/PLA composite could be used to develop low cost eco-friendly product material.1 aAmbone, Tushar1 aJoseph, Seena1 aDeenadayalan, E.1 aMishra, Satyendra1 aJaisankar, S.1 aSaravanan, P. uhttps://library.ncl.res.in/content/polylactic-acid-pla-biocomposites-filled-waste-leather-buff-wlb02107nas a2200145 4500008004100000245015400041210006900195260000800264300001200272490000800284520151200292100001701804700001601821856012401837 2017 eng d00aProbing the solute-solvent interactions in the binary mixtures of ionic liquids with water and alcohols by conductance, viscosity and IR spectroscopy0 aProbing the solutesolvent interactions in the binary mixtures of cJUL a270-2800 v2383 aThe molar conductance and viscosities of the bisulfate ([HSO4](-)) and ethylsulfate ([EtSO4](-))-based imidazolium ionic liquids in various molecular solvents have been measured at 298.15 K as a function of concentration of ionic liquids (1 x 10(-4) to 0.1 mol L-1). It is shown that the anions have considerable effect on the molar conductance and association constant of the [HSO4](-) and [EtSO4](-)-based imidazolium ionic liquids. Higher molar conductance of the [HSO4](-)-based imidazolium ionic liquids in polar protic solvents (water and methanol) is noted as compared to the [EtSO4](-)-based imidazolium ionic liquids, though the [HSO4](-)-based imidazolium ionic liquids possess higher association constant in water than in methanol. The intermolecular interactions in the pure and binary mixture of [HSO4](-) and [EtSO4](-)-based imidazolium ionic liquids have been investigated by IR spectroscopy. The C-2-H stretching vibration frequency of the imidazolium ring reveals the H-bonding between cations and anions of pure ionic liquids and their solutions. The transport properties (limiting molar conductance, transport number, ionic mobility and diffusion coefficient) of cations and anions correlate well with the hydrodynamic radius in their aqueous solutions. The study shows that the energy barrier for charge transfer is minimal as compared to the fluidity of the aqueous solution of the studied ionic liquids obtained from the Arrhenius equation. (C) 2017 Elsevier B.V. All rights reserved.1 aJain, Preeti1 aKumar, Anil uhttps://library.ncl.res.in/content/probing-solute-solvent-interactions-binary-mixtures-ionic-liquids-water-and-alcohols01653nas a2200193 4500008004100000245009100041210006900132260000800201300001400209490000700223520097900230100001801209700002301227700002601250700002201276700001801298700002101316856012201337 2017 eng d00a Processing and characterization of waste leather based polycaprolactone biocomposites0 aProcessing and characterization of waste leather based polycapro cDEC a2889-28970 v383 aWaste leather buff (WLB) filled polycaprolactone (PCL) composites were prepared by twin-screw extrusion varying the WLB content from 2% to 40%. These composites were extensively characterized by several techniques in order to establish micro and macroscopic properties. Addition of WLB resulted in improvement of tensile modulus of neat PCL and reduction in percentage crystallinity of PCL matrix was observed with increase in WLB content. Interfacial adhesion and dispersion of WLB on PCL matrix was investigated using Scanning Electron Microscope. Percentage of water uptake increased with increase in concentration of WLB in the composite. These biodegradable composites could be used to develop low cost materials suitable for applications in footwear industry, for making bags, suitcases, etc., eliminating the environmental issues arising from WLB generated from tanneries in leather industry. POLYM. COMPOS., 38:2889-2897, 2017. (c) 2015 Society of Plastics Engineers1 aJoseph, Seena1 aAmbone, Tushar, S.1 aSalvekar, Abhijit, V.1 aJaisankar, S., N.1 aSaravanan, P.1 aDeenadayalan, E. uhttps://library.ncl.res.in/content/processing-and-characterization-waste-leather-based-polycaprolactone-biocomposites01772nas a2200217 4500008004100000022001400041245008700055210006900142260000800211300001400219490000600233520107900239653001301318653001801331653001601349653001701365653001701382100002201399700002101421856011201442 2017 eng d a2365-654900aPromotional effect of WOx in Pt-WOx/AlPO4-5 catalyzed deoxygenation of fatty acids0 aPromotional effect of WOx in PtWOxAlPO45 catalyzed deoxygenation cFEB a1895-19010 v23 a

WOx promoted Pt/AlPO4-5 catalysts with varying Pt and W contents were prepared by wet-impregnation method and characterized. Catalysts with Pt to W weight ratio of 1: 2 exhibited higher catalytic performance than the other compositions in deoxygenation of oleic acid (OA). WOx enhanced significantly the catalytic activity of Pt and enabled quantitative conversion of OA to linear alkanes (predominantly C-18/C-17) at a temperature as low as 280 degrees C. It changed the reaction pathway from decarbonylation/ decarboxylation (DCO for Pt/AlPO4-5) to hydrodeoxygenation (HDO for Pt-WOx/AlPO4-5). It affected the particle size and redox behaviour of Pt. The enhanced H-spill over (by 14.8%) and presence of strong acid sites (300 - 500 degrees C) are the cause for the high activity of Pt-WOx/AlPO4-5 catalysts even at lower temperatures. Partially reduced WOx activates OA and leads to the HDO product (C-18). In the absence of WOx, Lewis acid sites of the support activate OA through the C=O group and Pt facilitates C-C cleavage and formation of DCO product (C-17).

10abiofuels10aDeoxygenation10aFatty acids10aGreen Diesel10aHydrocarbons1 aJanampelli, Sagar1 aDarbha, Srinivas uhttps://library.ncl.res.in/content/promotional-effect-wox-pt-woxalpo4-5-catalyzed-deoxygenation-fatty-acids00917nas a2200181 4500008004100000245011900041210006900160260000800229300001600237490000700253520024500260100001900505700002600524700001900550700001700569700001800586856013100604 2017 eng d00a p-Selective (sp(2))-C-H functionalization for an acylation/alkylation reaction using organic photoredox catalysis0 apSelective sp2CH functionalization for an acylationalkylation re cNOV a12337-123400 v533 ap-Selective (sp(2))-C-H functionalization of electron rich arenes has been achieved for acylation and alkylation reactions, respectively, with acyl/alkylselenides by organic photoredox catalysis involving an interesting mechanistic pathway.1 aPandey, Ganesh1 aTiwari, Sandip, Kumar1 aSingh, Bhawana1 aVanka, Kumar1 aJain, Shailja uhttps://library.ncl.res.in/content/p-selective-sp2-c-h-functionalization-acylationalkylation-reaction-using-organic-photoredox02142nas a2200361 4500008004100000022001400041245012100055210006900176260000800245490000600253520101400259653001001273653001801283653001101301653001101312653002101323653002701344653002101371653001201392653001501404653004101419653002301460653001301483100001601496700001801512700002201530700001901552700001901571700002201590700001901612700001901631856013001650 2017 eng d a2213-343700aRecovery of radio-cesium from actual high level liquid waste using solvents containing calix[4]arene-crown-6 ligands0 aRecovery of radiocesium from actual high level liquid waste usin cAUG0 v53 a

This paper gives two methods, viz. a solvent extraction method and a hollow fiber contactor based liquid membrane method, for the separation of radio-cesium from actual high level liquid waste (HLLW) solutions using calix[4]arene-crown-6 based solvent systems. While the solvent extraction method involved calix[4]arene-bis-benzo-crwon-6 (CBC) in PTMS (phenyltrifluoromethyl sulphone), the hollow fiber supported liquid membrane method used a polysulphone fiber containing contactor and bis-octyl-benzo-calix[4]arene-mono-crown-6 (CMC) in 40% iso-decanol + 60% n-dodecane. Both methods reported selective radio-cesium separation with almost no contamination from the associated fission product radionuclides. The radiolytic stability of the hollow fiber contactor was checked by keeping the contactor module in contact with the diluted HLLW for 50 days. The second run carried out after 50 days resulted in excellent reproducibility suggesting efficacy of this method for radioactive waste remediation.

10a137Cs10aCalix-crown-610aCesium10afibers10aFission products10aHollow fiber contactor10aLiquid membranes10aliquids10aPUREX-HLLW10aRadioactive wastesSolvent extraction10asolvent extraction10aSolvents1 aJagasia, P.1 aDhami, P., S.1 aMohapatra, P., K.1 aAnsari, S., A.1 aJadhav, S., Y.1 aKalyankar, G., K.1 aGandhi, P., M.1 aKharul, U., K. uhttps://library.ncl.res.in/content/recovery-radio-cesium-actual-high-level-liquid-waste-using-solvents-containing-calix4arene01723nas a2200157 4500008004100000245008600041210006900127260000800196300001400204490000700218520114900225100001801374700002901392700002701421856011701448 2017 eng d00aRedox-mediated 3D graphene based nanoscoop design for ultracapacitor applications0 aRedoxmediated 3D graphene based nanoscoop design for ultracapaci cAUG a8390-83980 v413 aContemporary energy storage devices significantly rely on the rational design of micro and nanostructural features of electrode materials for efficient ion transport. A judicious concept of utilizing the extended charge mobility on the third dimension along with an active redox couple to significantly maximize the capacitance has been demonstrated via (a) the fabrication of a 3D network from 2D graphene and (b) the introduction of an active redox species. Compared with traditional graphene systems, an unprecedented 8-fold gain of capacitance that was sustained with minimal loss even beyond 5000 cycles is achieved and is reported for the first time. This was due to the complementary advantage of both the electric double layer capacitance of the 3D graphene electrode and the redoxmediated pseudocapacitance of K3Fe(CN)(6) in alkaline electrolytes. Colloidal polystyrene spheres with a tunable size range were used as sacrificial templates for generating the 3D network. This design outperforms others, is an excellent candidate as an ultracapacitor and is envisaged to lead to new opportunities in several electrochemical applications.1 aRani, Pallavi1 aJhajharia, Suman, Kumari1 aSelvaraj, Kaliaperumal uhttps://library.ncl.res.in/content/redox-mediated-3d-graphene-based-nanoscoop-design-ultracapacitor-applications01299nas a2200217 4500008004100000245007600041210006900117260000800186300001200194490000700206520063500213100001600848700001800864700001200882700001800894700001700912700001600929700001700945700001500962856010400977 2017 eng d00aRepurposing Ivacaftor for treatment of staphylococcus aureus infections0 aRepurposing Ivacaftor for treatment of staphylococcus aureus inf cSEP a389-3920 v503 a

Drug repurposing of non-antimicrobials is a novel method to augment a seriously depleted drug pipeline for targeting drug–resistant pathogens. This article highlights the potent antimicrobial activity of Ivacaftor against Staphylococcus aureus, including vancomycin– and other multidrug–resistant strains. The potent activity of Ivacaftor in vivo is also demonstrated in a murine neutropenic thigh infection model. Taken together, these results support the potential of Ivacaftor as an antimicrobial agent for the treatment of staphylococcal infections. © 2017 Elsevier B.V. and International Society of Chemotherapy

1 aThakare, R.1 aSingh, A., K.1 aDas, S.1 aVasudevan, N.1 aJachak, G.R.1 aReddy, D.S.1 aDasgupta, A.1 aChopra, S. uhttps://library.ncl.res.in/content/repurposing-ivacaftor-treatment-staphylococcus-aureus-infections02798nas a2200325 4500008004100000022001400041245009300055210006900148260000800217490000800225520177900233653002002012653001602032653003402048653002402082653001802106653001802124653002302142653000902165653001402174653001502188653001502203653002502218653003002243653002402273653001402297100002102311700002502332856011502357 2017 eng d a0927-775700aRole of base fluid on the thermal conductivity of oleic acid coated magnetite nanofluids0 aRole of base fluid on the thermal conductivity of oleic acid coa cSEP0 v5293 a

Thermal conductivity enhancement of nanofluids of oleic acid coated magnetite nanoparticles dispersed in four different base fluids (toluene, xylene, mesitylene, kerosene) is studied to understand the role of the solvent (base fluid). From the correlation of the thermophysical properties of the base fluid with the thermal conductivity of the corresponding nanofluid, it is found that the nanofluid with the base fluid of lower intrinsic thermal conductivity and dielectric constant shows relatively larger enhancement in the thermal conductivity. A linear increase in the thermal conductivity with increasing viscosity is observed for all four nanofluids studied. The concentration dependent thermal conductivity studies showed enhancement only above a particular concentration, within the sensitivity of the measurement, and this critical concentration is different for the different nanofluids. The nanofluid with kerosene showed the lowest critical concentration for thermal conductivity enhancement compared to the other nanofluids. The difference between the experimental thermal conductivity and the calculated value using the Maxwell model is found to depend on the critical concentration. By assuming the critical concentration as the zero concentration, it is found that all the studied nanofluids almost follow the Maxwell model of thermal conductivity. Thus, for the dispersions of the same oleic acid coated magnetite nanoparticles, the base fluid affects the critical concentration for thermal conductivity enhancement, probably due to the interfacial effects arising from the surfactant-solvent interactions.

10aBrownian-Motion10aEnhancement10aHeat-transfer Characteristics10aMagnetic nanofluids10aMaxwell model10aNanoparticles10aParticle Migration10aSize10astability10aSuspension10aTemprature10aThermal conductivity10aThermophysical properties10atransport mechanism10aviscosity1 aLenin, Ramanujam1 aJoy, Pattayil, Alias uhttps://library.ncl.res.in/content/role-base-fluid-thermal-conductivity-oleic-acid-coated-magnetite-nanofluids01424nas a2200145 4500008004100000245010000041210006900141260000800210300001400218490000800232520086600240100002601106700002501132856012101157 2017 eng d00a Role of localized graphitization on the electrical and magnetic properties of activated carbon0 aRole of localized graphitization on the electrical and magnetic  cNOV a5151-51610 v1003 aThe correlation between the magnetic and electrical properties of activated carbon with its microstructure is studied. The changes in the microstructure of activated carbon, after activation at three different temperatures (800 degrees C, 900 degrees C, 1000 degrees C) using different amounts of the activating agent, KOH (KOH/C ratio of 1: 1, 2: 1, 3: 1 and 4: 1), are studied using X-ray diffraction and Raman spectroscopy. The results showed the formation of localized nanographitic domains, along with the changes in the surface area and porosity of the activated carbon. The changes in the microstructure are found to be directly correlated with the magnetic properties and electrical conductivity. The interplay between ordering and disordering parameters in the activated carbon is found to determine the electrical conductivity and magnetic properties.1 aRaj, Kovummal, Govind1 aJoy, Pattayil, Alias uhttps://library.ncl.res.in/content/role-localized-graphitization-electrical-and-magnetic-properties-activated-carbon01786nas a2200217 4500008004100000022001400041245013300055210006900188260000800257300001200265490000800277520101600285653001301301653001801314653003001332653001601362653001601378100002201394700002101416856013101437 2017 eng d a0920-586100aSelective and reusable Pt-WO x /Al 2 O 3 catalyst for deoxygenation of fatty acids and their esters to diesel-range hydrocarbons0 aSelective and reusable PtWO x Al 2 O 3 catalyst for deoxygenatio cJUN a219-2260 v3093 aTungsten oxide promoted platinum catalysts (Pt-WOx/Al2O3) of varying composition were prepared by wet impregnation method and reduced in hydrogen atmosphere. X-ray powder diffraction and photoelectron spectroscopy revealed that Pt is completely reduced to metallic state while tungsten is in +6 and +5 oxidation state. Pt crystallite and particle sizes increased (from 1.2 to 1.4 nm and 2.5 to 3 nm, respectively) in presence of WOx (CO-chemisorption and transmission electron microscopy). Tungsten addition augmented strong acid sites. It enhanced significantly the catalytic activity of Pt/Al2O3 in deoxygenation of fatty acids and their methyl esters. Tungsten altered the reaction pathway from decarbonylation/decarboxylation to hydrodeoxygenation. A catalyst with 4 wt% Pt and 8 wt% W exhibited high catalytic performance. Complete conversion of oleic acid and octadecane product selectivity in the range 67.1 − 80.8% was obtained. Pt-WOx/Al2O3 is a stable and reusable fatty acid deoxygenation catalyst.10abiofuels10aDeoxygenation10aDiesel-range hydrocarbons10aFatty acids10aPt catalyst1 aJanampelli, Sagar1 aSrinivas, Darbha uhttps://library.ncl.res.in/content/selective-and-reusable-pt-wo-x-al-2-o-3-catalyst-deoxygenation-fatty-acids-and-their-esters02498nas a2200265 4500008004100000245016500041210006900206260000800275300001500283490000600298520155600304100002101860700001801881700002001899700001701919700002301936700002101959700001801980700002401998700002202022700001402044700002302058700002202081856012902103 2017 eng d00aSelective isolation and eradication of E. coli associated with urinary tract infections using anti-fimbrial modified magnetic reduced graphene oxide nanoheaters0 aSelective isolation and eradication of E coli associated with ur cOCT a 8133-81420 v53 aThe fast and efficient elimination of pathogenic bacteria from water, food or biological samples such as blood remains a challenging task. Magnetic isolation of bacteria from complex media holds particular promise for water disinfection and other biotechnological applications employing bacteria. When it comes to infectious diseases such as urinary tract infections, the selective removal of the pathogenic species in complex media such as human serum is also of importance. This issue can only be accomplished by adding pathogen specific targeting sites onto the magnetic nanostructures. In this work, we investigate the potential of 2-nitrodopamine modified magnetic particles anchored on reduced graphene oxide (rGO) nanocomposites for rapid capture and efficient elimination of E. coli associated with urinary tract infections (UTIs) from water and serum samples. An optimized magnetic nanocarrier achieves a 99.9% capture efficiency even at E. coli concentrations of 1 x 10(1) cfu mL(-1) in 30 min. In addition, functionalization of the nanostructures with poly(ethylene glycol) modified pyrene units and anti-fimbrial E. coli antibodies allowed specific elimination of E. coli UTI89 from serum samples. Irradiation of the E. coli loaded nanocomposite with a near-infrared laser results in the total ablation of the captured pathogens. This method can be flexibly modified for any other pathogenic bacteria, depending on the antibodies used, and might be an interesting alternative material for a magnetic-based body fluid purification approach.1 aHalouane, Fatima1 aJijie, Roxana1 aMeziane, Dalila1 aLi, Chengnan1 aSingh, Santosh, K.1 aBouckaert, Julie1 aJurazek, Jean1 aKurungot, Sreekumar1 aBarras, Alexandre1 aLi, Musen1 aBoukherroub, Rabah1 aSzunerits, Sabine uhttps://library.ncl.res.in/content/selective-isolation-and-eradication-e-coli-associated-urinary-tract-infections-using-anti01322nas a2200265 4500008004100000022001400041245021200055210006900267260000800336300001000344490000700354520034700361653000600708653002800714653002800742653001000770653001000780653002700790100002400817700002700841700002000868700002100888700001700909856013000926 2017 eng d a0268-260500aSilver sequestration of halides for the activation of Pd(OAc) 2 catalyzed Mizoroki-Heck reaction of 1,1 and 1,2 - Disubstituted alkenes: Ag Sequestration for Pd catalyzed Heck reaction- disubstituted alkenes0 aSilver sequestration of halides for the activation of PdOAc 2 ca cNOV ae41590 v323 aA ligand free catalytic system consisting of Pd(OAc)2 (cat) and stoichiometric quantities of silver salts, AgOAc or AgBF4, exhibit high efficiency in the Mizoroki-Heck arylation, transforming aryl iodides and 1,1 as well as 1,2 disubstituted alkenes into 1,1,2 – trisubstituted aryl alkenes in excellent yields in very short reaction times.10a110a1-disubstituted alkenes10a2-disubstituted alkenes10aAgBF410aAgOAc10aMizoroki-Heck reaction1 aBangar, Pronnoy, G.1 aJawalkar, Priyanka, R.1 aDumbre, Swapnil1 aPatil, Dharmaraj1 aIyer, Suresh uhttps://library.ncl.res.in/content/silver-sequestration-halides-activation-pdoac-2-catalyzed-mizoroki-heck-reaction-11-and-1201833nas a2200277 4500008004100000245006500041210006200106260008800168520088700256653002801143653002401171653002301195653002101218653000801239100001701247700002301264700001901287700001801306700002101324700002401345700001701369700002001386700002701406700002501433856009701458 2017 eng d00aSolubility limits of ceria-zirconia-lanthana solid-solutions0 aSolubility limits of ceriazirconialanthana solidsolutions aJaipur, IndiabElsevier Science BV, PO BOX 211, 1000 AE Amsterdam, NetherlandscMAR3 a

We demonstrate, the solubility limits of Ceria-Zirconia-Lanthana (CZLa) solid-solutions with the increase in heat-treatment temperature from 600 degrees C to 1300 degrees C. CZLa nano-crystalline samples were successfully synthesized by EDTA-Citrate complex method and were characterized by Raman Spectroscopy (RS) and Transmission Electron Microscopy (TEM) analysis. With an increase in temperature, it is noticed that the solubility limit is decreased in CZLa system. At 600 degrees C, a very good solubility is observed in CZLa system and is confirmed from RS analysis. At higher heat-treatment temperatures (1000 and 1300 degrees C), with an increase in La content, Zr precipitated in the CZLa system and is confirmed from RS analysis. The reason for such kind of behavior in this CZLa system is clearly explained in this work. (C) 2017 Elsevier Ltd. All rights reserved.

10aCeria-Zirconia Lanthana10aEDTA-Citrate method10aRaman spectroscopy10asolubility limit10aXRD1 aAbbas, Zenab1 aSurendran, Mythili1 aAnjana, P., A.1 aJidev, P., K.1 aDasari, Harshini1 aNaidu, Sudhakar, N.1 aAnandhan, S.1 aBhat, Udaya, K.1 aBabu, Uday, Bhaskar G.1 aDasari, Hari, Prasad uhttps://library.ncl.res.in/content/solubility-limits-ceria-zirconia-lanthana-solid-solutions02251nas a2200241 4500008004100000245010400041210006900145260000800214300001400222490000700236520143100243100002401674700002601698700001601724700002501740700002201765700001801787700002201805700001801827700001801845700002201863856012401885 2017 eng d00aSpectroscopic and reactivity comparisons of a pair of bTAML complexes with Fe-V=O and Fe-IV=O units0 aSpectroscopic and reactivity comparisons of a pair of bTAML comp cJUN a6352-63610 v563 aIn this report we compare the geometric and electronic structures and reactivities of [Fe-V(O)](-) and [Fe-IV(O)](2-) species supported by the same ancillary nonheme biuret tetraamido macrocyclic ligand (bTAML). Resonance Raman studies show that the Fe-O vibration of the [Fe-IV(O)](2-) complex 2 is at 798 cm(-1), compared to 862 cm(-1) for the corresponding [Fe-V(O)](-) species 3, a 64 cm(-1) frequency difference reasonably reproduced by density functional theory calculations. These values are, respectively, the lowest and the highest frequencies observed thus far for nonheme high-valent Fe-O complexes. Extended X-ray absorption fine structure analysis of 3 reveals an Fe-O bond length of 1.59 angstrom, which is 0.05 angstrom shorter than that found in complex 2. The redox potentials of 2 and 3 are 0.44 V (measured at pH 12) and 1.19 V (measured at pH 7) versus normal hydrogen electrode, respectively, corresponding to the [Fe-IV(O)](2-)/[Fe-III(OH)](2-) and [Fe-V(O)](-)/[Fe-IV(O)](2-) couples. Consistent with its higher potential (even after correcting for the pH difference), 3 oxidizes benzyl alcohol at pH 7 with a second-order rate constant that is 2500-fold bigger than that for 2 at pH 12. Furthermore, 2 exhibits a classical kinteic isotope effect (KIE) of 3 in the oxidation of benzyl alcohol to benzaldehyde versus a nonclassical KIE of 12 for 3, emphasizing the reactivity differences between 2 and 3.1 aPattanayak, Santanu1 aJasniewsk, Andrew, J.1 aRana, Atanu1 aDraksharapu, Apparao1 aSingh, Kundan, K.1 aWeitz, Andrew1 aHendrich, Michael1 aQue, Lawrence1 aDey, Abhishek1 aGupta, Sayam, Sen uhttps://library.ncl.res.in/content/spectroscopic-and-reactivity-comparisons-pair-btaml-complexes-fe-vo-and-fe-ivo-units02390nas a2200169 4500008004100000245014700041210006900188260000800257300001200265490000800277520172200285100002002007700001902027700002502046700001702071856013202088 2017 eng d00aStructural and dynamics studies of the TetR family protein, CprB from Streptomyces coelicolor in complex with its biological operator sequence0 aStructural and dynamics studies of the TetR family protein CprB  cMAy a134-1460 v1983 aIn Streptomycetes, tetracycline repressor family of transcription regulators (TetR-FTRs) controls various biological processes including antibiotic biosynthesis, cellular morphology and innate resistance. Here, we focus on understanding the structural basis of transcription regulation by CprB, a member of TetR-FTRs from S. coelicolor. CprB is implicated as a receptor of gamma-butyrolactones, a class of quorum sensing molecules, responsible for initiating secondary metabolic pathways. In order to understand the molecular mechanism of DNA recognition, the X-ray structure of CprB in complex with its biological relevant operator sequence was solved to a resolution of 3.95 angstrom. Furthermore, to refine and compliment the results, atomistic molecular dynamics simulations were carried out using the X-ray structure as the template. The studies reveal that CprB binds to DNA as dimer of dimers with this mode of interaction results in minimal distortion in the DNA, enabling these proteins to recognize multiple sequences with varying affinity. Another crucial finding from our simulation results was that the positively charged N-terminal arm of CprB brings extra stability to the protein-DNA complex by interacting with the minor-groove of the DNA and anchoring itself to the phosphate backbone. Corroborating electrophoretic mobility shift assay and fluorescence anisotropy experiments showed that the mutant AN6-CprB exhibited about 7-8 fold reduced DNA binding. Comparison with other TetR-FTRs reveals that this strategy is also employed by over 25% of TetR-FTRs, where N-terminal anchoring mechanism is used to enhance selectivity for a particular DNA sequence. (C) 2017 Elsevier Inc. All rights reserved.1 aBhukya, Hussain1 aJana, Asis, K.1 aSengupta, Neelanjana1 aAnand, Ruchi uhttps://library.ncl.res.in/content/structural-and-dynamics-studies-tetr-family-protein-cprb-streptomyces-coelicolor-complex-its01752nas a2200157 4500008004100000245013400041210006900175260000800244300002700252490000600279520113600285100001801421700001701439700001601456856012201472 2017 eng d00aStructural, magnetic, dielectric and magnetodielectric properties of Bi1-xCaxFe1-xMnxO3 in the morphotropic phase boundary region0 aStructural magnetic dielectric and magnetodielectric properties  cJAN aArticle Number: 0161040 v43 aStructural, magnetic, dielectric and magnetodielectric properties of Ca and Mn co-substituted bismuth ferrite, Bi1-xCaxFe1-xMnxO3 (0 <= x <= 0.4) are reported. Structural studies by Rietveld refinement of XRD patterns revealed rhombohedral R3c structure for x <= 0.11 and orthorhombic Pbnm structure for x >= 0.2. For compositions in the range 0.11 < x < 0.2, mixed phase behaviour is observed showing a morphotropic phase boundary (MPB) region. Magnetisation at room temperature increases with increasing Ca and Mn content, showing weak ferromagnetism. Coercivity and remanence initially increase and then decrease with increasing x, showing a maximum for x = 0.175 in the MPB region. Dielectric constant also shows a maximum value in the mixed phase region. Magnetodielectric (MD) studies revealed positive MD for the R3c phase and a negative MD for the Pbnm phase, showing a maximum MD (similar to 1%) for x approximate to 0.1 and crossover at x approximate to 0.175. The studies show strong interplay between the structure and properties, suggesting tuneable bismuth ferrite based compositions for magnetoelectric applications.1 aManjunath, B.1 aThakuria, P.1 aJoy, P., A. uhttps://library.ncl.res.in/content/structural-magnetic-dielectric-and-magnetodielectric-properties-bi1-xcaxfe1-xmnxo302080nas a2200205 4500008004100000245012200041210006900163260000800232300002700240490000600267520132300273100002201596700002201618700002201640700002601662700002401688700002601712700002401738856011201762 2017 eng d00aStructural phases, magnetic properties and Maxwell-Wagner type relaxation of CoFe2O4/Sr2Co2Fe12O22 ferrite composites0 aStructural phases magnetic properties and MaxwellWagner type rel cJUL aArticle Number: 0761050 v43 aCoFe2O4 (S:Y-1:0) and Sr2Co2Fe12O22 (S:Y-0:1) ferrites were synthesized separately by using chemical coprecipitation technique and calcined at 1000 degrees C for 5 h. The mixed ferrite composites (S:Y-3:7, 4:6, 5:5, 6:4 and 7:3) were prepared by physical mixing of individual ferrite powders in required weight proportions. The prepared composites were heated at 1150 degrees C for 5 h in a muffle furnace and then slowly cooled to room temperature. The prepared ferrites were characterized using various instrumental techniques like FTIR, XRD, SEM, VSM and dielectric measurements. The x-ray diffraction studies of pure Sr2Co2Fe12O22 ferrite sample show the presence of M and Y-type hexagonal phases, while the composites consist of spinel and Y-type phases. FTIR spectra of all samples show two bands of Fe-O stretching vibrations. VSM results of composites reveal that the values of the saturation magnetization (M-s) vary from 50.44 emu g(-1) to 31.21 emu g(-1), while remanent magnetization values found from 11.18 emu g(-1) to 3.70 emu g(-1). A higher value of coercivity (H-c = 562 emu g(-1)) is observed in the composite S:Y-3:7 but Mr/Ms ratio of pure and composites is found to be less than 0.5. The dielectric behavior is explained using Maxwell-Wegner type interfacial polarization and N. Rezlescu's model.1 aPatel, Chirag, K.1 aSolanki, Neha, P.1 aSingh, Charanjeet1 aJotania, Rajshree, B.1 aChauhan, Chetna, C.1 aKulkarni, Shailja, D.1 aShirsath, Sagar, E. uhttps://library.ncl.res.in/content/structural-phases-magnetic-properties-and-maxwell-wagner-type-relaxation02540nas a2200253 4500008004100000022001400041245013000055210006900185260000800254490000800262520161400270653001101884653001301895653001601908653001101924653001101935653001101946653002301957653010301980653003002083100002102113700002502134856012702159 2017 eng d a0021-979700aStudies on the role of unsaturation in the fatty acid surfactant molecule on the thermal conductivity of magnetite nanofluids0 aStudies on the role of unsaturation in the fatty acid surfactant cNOV0 v5063 a

To study the role of unsaturation in the surfactant molecule on the thermal conductivity of magnetite nanofluids, four different fatty acid (stearic, oleic, linoleic, and linolenic acids with different degree of unsaturation) coated magnetite nanoparticles of comparable size are prepared and dispersed in toluene. It is found that the nanofluid with the saturated fatty acid coated nanoparticles show larger viscosity than the fluid with the unsaturated fatty acid coated particles at all concentrations. Thermal conductivity studies show enhancement only above a critical concentration for all fluids. The critical concentration for thermal conductivity enhancement varies with the surfactant, possibly due to the difference in the degree of aggregation of the nanoparticles in the fluid, because of the difference in the conformation of the surfactant molecules on the nanoparticle's surface. The experimental thermal conductivity follows the Maxwell model at higher concentrations. From the overall studies, it is observed that the thermal conductivity of the fluids with aggregated or assembled nanoparticles shows slightly larger enhancement than that of the fluids with isolated particles. However, in the presence of a magnetic field, the fluids with isolated nanoparticles showed relatively larger enhancement, possibly due to the easy response of the isolated magnetite nanoparticles to the applied field. (C) 2017 Elsevier Inc. All rights reserved.

10aChains10aDynamics10aEnhancement10aFields10aFluids10aForces10agold nanoparticles10aMagnetic fluid; Nanofluid; Surfactant; Unsaturation; Conformation; Thermal conductivity; Viscosity10aSelf-assembled Monolayers1 aLenin, Ramanujam1 aJoy, Pattayil, Alias uhttps://library.ncl.res.in/content/studies-role-unsaturation-fatty-acid-surfactant-molecule-thermal-conductivity-magnetite00993nas a2200205 4500008004100000245008600041210006900127260006600196520021000262100002000472700002200492700002700514700001800541700002100559700002000580700002100600700003600621700002100657856010900678 2017 eng d00aStudies on use of sodium poly acrylate (SPA) for low salt animal skinpreservation0 aStudies on use of sodium poly acrylate SPA for low salt animal s a ITC CHOLA , CHENNAIbCentral Leather Research InstitutecFEB3 aIn this study, commercial sodium poly acrylate (SPA) is used along with sodium chloride for low salt skin preservation. SPA is a super-absorbent polymer which can absorb water many times of its own weight.1 aSandhya, K., V.1 aBrindha, Velappan1 aAbinandan, Sudharsanam1 aVedaraman, N.1 aJohn, Sundar, V.1 aSuresha, P., R.1 aBadiger, Manohar1 aChinnaraj, Velappan, kandukalpa1 aMuralidharan, C. uhttps://library.ncl.res.in/content/studies-use-sodium-poly-acrylate-spa-low-salt-animal-skinpreservation01659nas a2200205 4500008004100000245012600041210006900167260000800236300001200244490000700256520090900263100001901172700002201191700002301213700002201236700002201258700002401280700001901304856013001323 2017 eng d00aSynthesis and biological evaluation of 1,2,4-triazole-3-thione and 1,3,4-oxadiazole-2-thione as anti-mycobacterial agents0 aSynthesis and biological evaluation of 124triazole3thione and 13 cJAN a200-2090 v903 aResistance among dormant mycobacteria leading to multi-drug resistant (MDR) and extremely-drug resistant(XDR) tuberculosis is one of the major threats. Hence, a series of 1,2,4-triazole-3-thione and 1,3,4-oxadiazole-2-thione derivatives (4a-5c) have been synthesised and screened for their anti-tubercular activity against Mycobacterium tuberculosis H37Ra (H37Ra). Thetriazolethiones4b and 4v showed high anti-tubercular activity (both MIC and IC50) against the dormant H37Ra by in vitro and ex vivo. They were shown to have more specificity towards mycobacteria than other gram-negative and gram- positive pathogenic bacteria. The cytotoxicity was almost insignificant up to 100 μg/mL against THP-1, A549 and PANC-1 human cancer cell lines, and solubility was high in aqueous solution, indicating the potential of developing these compounds further as novel therapeutics against tuberculosis infection.1 aSonawane, Amol1 aRode, Navnath, D.1 aNawale, Laxman, U.1 aJoshi, Rohini, R.1 aJoshi, Ramesh, A.1 aLikhite, Anjali, P.1 aSarkar, Dhiman uhttps://library.ncl.res.in/content/synthesis-and-biological-evaluation-124-triazole-3-thione-and-134-oxadiazole-2-thione-anti01938nas a2200217 4500008004100000245016700041210006900208260000800277300001400285490000700299520111000306100002201416700002301438700001901461700002301480700002201503700002401525700001901549700002201568856013001590 2017 eng d00aSynthesis, biological evaluation, and molecular docking studies of novel 3-aryl-5-(alkyl-thio)-1H-1,2,4-triazoles derivatives targeting Mycobacterium tuberculosis0 aSynthesis biological evaluation and molecular docking studies of cDEC a1206-12140 v903 aA small library of new 3-aryl-5-(alkyl-thio)-1H-1,2,4-triazoles was synthesized and screened for the antimycobacterial potency against Mycobacterium tuberculosis H37Ra strain and Mycobacterium bovis BCG both in active and dormant stage. Among the synthesized library, 25 compounds exhibited promising anti-TB activity in the range of IC(50)0.03-5.88g/ml for dormant stage and 20 compounds in the range of 0.03-6.96g/ml for active stage. Their lower toxicity (>100g/ml) and higher selectivity (SI=>10) against all cancer cell lines screened make them interesting compounds with potential antimycobacterial effects. Furthermore, to rationalize the observed biological activity data and to establish a structural basis for inhibition of M.tuberculosis, the molecular docking study was carried out against a potential target MTB CYP121 which revealed a significant correlation between the binding score and biological activity for these compounds. Cytotoxicity and in vivo pharmacokinetic studies suggested that 1,2,4-triazole analogues have an acceptable safety index, in vivo stability and bio-availability.1 aRode, Navnath, D.1 aSonawane, Amol, D.1 aNawale, Laxman1 aKhedkar, Vijay, M.1 aJoshi, Ramesh, A.1 aLikhite, Anjali, P.1 aSarkar, Dhiman1 aJoshi, Rohini, R. uhttps://library.ncl.res.in/content/synthesis-biological-evaluation-and-molecular-docking-studies-novel-3-aryl-5-alkyl-thio-1h01985nas a2200229 4500008004100000245010700041210006900148260000800217300002800225490000800253520119900261100001901460700001801479700002101497700002001518700001801538700002001556700001801576700001901594700002001613856012201633 2017 eng d00aSynthesis of gamma-WO3 thin films by hot wire-CVD and investigation of its humidity sensing properties0 aSynthesis of gammaWO3 thin films by hot wireCVD and investigatio cMAY aArticle Number: 16007170 v2143 aIn this study, monoclinic tungsten oxide (gamma-WO3) have been grown in a single step using HW-CVD method by resistively heating W filaments in a constant O-2 pressure. The formation of gamma-WO3 was confirmed using low angle-XRD and Raman spectroscopy analysis. Low angle-XRD analysis revealed that as-deposited WO3 film are highly crystalline and the crystallites have preferred orientation along the (002) direction. HRTEM analysis and SAED pattern also show the highly crystalline nature of WO3 with d spacing of similar to 0.38 nm, having an orientation along the (002) direction. Surface topography investigated by SEM analysis shows the formation of a uniform and homogeneous cauliflower like morphology throughout the substrate surface without flaws and cracks. A humidity sensing device incorporating WO3 is also fabricated, which shows a maximum humidity sensitivity factor of similar to 3954% along with a response time of similar to 14 s and a recovery time of similar to 25 s. The obtained results demonstrate that it is possible to synthesize WO3 in a single step by HW-CVD method and to fabricate a humidity sensor by using it. (C) 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim1 aJadkar, Vijaya1 aPawbake, Amit1 aWaykar, Ravindra1 aJadhavar, Ashok1 aDate, Abhijit1 aLate, Dattatray1 aPathan, Habib1 aGosavi, Suresh1 aJadkar, Sandesh uhttps://library.ncl.res.in/content/synthesis-gamma-wo3-thin-films-hot-wire-cvd-and-investigation-its-humidity-sensing01991nas a2200229 4500008004100000245014100041210007000182260000800252490000600260520113500266100001901401700002201420700002501442700002701467700001901494700001801513700002401531700002201555700002301577700002401600856013701624 2017 eng d00aSynthesis of orthorhombic-molybdenum trioxide (α-MoO3) thin films by hot wire-CVD and investigations of its humidity sensing properties0 aSynthesis of orthorhombicmolybdenum trioxide αMoO3 thin films by cJUL0 v13 aIn present work, we report synthesis of orthorhombic-molybdenum trioxide (α-MoO 3) thin films using home-build hot wire-CVD (HW-CVD) method simply by heating the Mo filament in a controlled O 2 atmosphere. The formation of α-MoO 3 was confirmed by low angle-XRD and Raman spectroscopy. Low angle-XRD analysis revealed that α-MoO 3 crystallites have orientations along (110), (101) and (111) directions while Raman spectroscopy analysis shows two prominent vibrational modes ~819 and ~994 cm −1 associated with Mo 2–O and Mo=O respectively. SEM and TEM analysis show the formation of nano-sheets like morphology of α-MoO 3 thin films. The SAED pattern shows highly crystalline nature of α-MoO 3. The humidity-sensing properties were investigated at room temperature by fabricating the two probe device. The humidity sensing results showed n-type behavior of α-MoO 3. The maximum humidity sensitivity of ~6957% along with response time of ~66 s and recovery time of ~5 s were observed for α-MoO 3 thin film humidity sensor device. Our results have opened up a new avenue to grow α-MoO 3 for humidity sensor applications.1 aJadkar, Vijaya1 aPawbake, Amit, S.1 aWaykar, Ravindra, G.1 aJadhavar, Ashok, Arjun1 aMayabadi, Azam1 aDate, Abhijit1 aLate, Dattatray, J.1 aPathan, Habib, M.1 aGosavi, Suresh, W.1 aJadkar, Sandesh, R. uhttps://library.ncl.res.in/content/synthesis-orthorhombic-molybdenum-trioxide-%CE%B1-moo3-thin-films-hot-wire-cvd-and-investigations01940nas a2200253 4500008004100000022001400041245011300055210006900168260000900237300001000246490000800256520107200264653002201336653002201358653002001380653002201400100002301422700002801445700002401473700002401497700002301521700002101544856012101565 2017 eng d a0020-169300aSynthesis, structure and DNA interaction studies of bisphosphoramides: theoretical and experimental insights0 aSynthesis structure and DNA interaction studies of bisphosphoram cMAY  a84-910 v4613 a

New bisphosphoramides (having phenyl (EDAPOPh(2)) and ethoxy (EDADEP) substituents attached to phosphoryl groups bridged with ethylenediamine spacer) are synthesized and structurally characterized by spectroscopic techniques as well as elemental analysis. The molecular structure of EDAPOPh(2) was determined by single crystal X-ray diffraction technique. The interaction of these bisphosphoramides with calf thymus DNA (ct-DNA) is investigated using UV-Visible absorption and fluorescence spectral data as well as the DFT calculations. These studies reveal that EDAPOPh(2) and EDADEP interact with DNA in a partial intercalation mode. The intrinsic binding constants K-b of two different bisphosphoramides with ct-DNA were determined by fluorescence spectroscopy as 2.08 x 10(4) and 3.86 x 10(4) M-1 respectively. The results indicated that the two compounds bind to ct-DNA with different binding affinities, i.e. EDAPOPh(2) > EDADEP. The binding mechanism of these bisphosphoramides to ct-DNA is also discussed. (C) 2017 Elsevier B.V. All rights reserved.

10aBisphosphoramides10acrystal structure10aDNA interaction10aMolecular docking1 aGoud, Veerashekhar1 aSivaramakrishna, Akella1 aVijayakrishna, Kari1 aRao, C., V. S. Brah1 aKhedkar, Vijay, M.1 aJha, Prakash, C. uhttps://library.ncl.res.in/content/synthesis-structure-and-dna-interaction-studies-bisphosphoramides-theoretical-and01499nas a2200145 4500008004100000245007600041210006900117300001200186520093800198100002901136700002301165700003901188700002501227856010101252 2017 eng d00aTargeted quantification of the glycated peptides of human serum albumin0 aTargeted quantification of the glycated peptides of human serum  a403-4163 a

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

1 aGarikapati, Vannuruswamy1 aKorwar, Arvind, M.1 aJagadeeshaprasad, Mashanipalya, G.1 aKulkarni, Mahesh, J. uhttps://library.ncl.res.in/content/targeted-quantification-glycated-peptides-human-serum-albumin02220nas a2200277 4500008004100000245009200041210006900133260000800202300001400210490000600224520132000230653001301550653002401563653001901587100002201606700001701628700001801645700002501663700002201688700002501710700001901735700002101754700002101775700002601796856012001822 2017 eng d00aTemplate -free assembly in living bacterial suspension under an external electric field0 aTemplate free assembly in living bacterial suspension under an e cMAR a1019-10240 v23 a

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

10aBacteria10aElectric Properties10aSelf- Assembly1 aSamantaray, Kunal1 aBhol, Prachi1 aSahoo, Bhaban1 aBarik, Subrat, Kumar1 aJathavedan, Kiran1 aSahu, Bikash, Ranjan1 aRanjan, Bikash1 aSuar, Mrutyunjay1 aBhat, Suresh, K.1 aMohanty, Priti, Sunda uhttps://library.ncl.res.in/content/template-free-assembly-living-bacterial-suspension-under-external-electric-field01230nas a2200145 4500008004100000245018500041210006900226260000800295300001400303490000900317520058300326100001700909700002600926856013200952 2017 eng d00aTotal synthesis of tetrahydroisoquinoline-based bioactive natural products laudanosine, romneine, glaucine, dicentrine, and their unnatural analogues isolaudanosine and isoromneine0 aTotal synthesis of tetrahydroisoquinolinebased bioactive natural cAPR a1655-16630 v 49 3 aStarting from suitably substituted homophthalic acids, total synthesis of titled alkaloids have been demonstrated in very good yields. The obtained natural products laudanosine and romneine were utilized to accomplish synthesis of two isoquinoline-based alkaloids glaucine and dicentrine. Base-induced selective generation of two different types of benzylic carbanions, their coupling reactions with 3,4-dimethoxybenzyl mesylate, and the regioselective iodination followed by intramolecular aryl-aryl coupling reactions to form the fused biaryl systems were the strategic steps.1 aJangir, Ravi1 aArgade, Narshinha, P. uhttps://library.ncl.res.in/content/total-synthesis-tetrahydroisoquinoline-based-bioactive-natural-products-laudanosine-romneine02190nas a2200217 4500008004100000245016800041210006900209260000800278490000600286520134900292100002601641700002401667700001601691700002501707700002201732700002401754700002301778700002001801700002101821856013001842 2017 eng d00aTranscriptional transitions in alphonso mango (Mangifera indica L.) during fruit development and ripening explain its distinct aroma and shelf life characteristics0 aTranscriptional transitions in alphonso mango Mangifera indica L cAUG0 v73 aAlphonso is known as the "King of mangos" due to its unique flavor, attractive color, low fiber pulp and long shelf life. We analyzed the transcriptome of Alphonso mango through Illumina sequencing from seven stages of fruit development and ripening as well as flower. Total transcriptome data from these stages ranged between 65 and 143 Mb. Importantly, 20,755 unique transcripts were annotated and 4,611 were assigned enzyme commission numbers, which encoded 142 biological pathways. These included ethylene and flavor related secondary metabolite biosynthesis pathways, as well as those involved in metabolism of starch, sucrose, amino acids and fatty acids. Differential regulation ( p-value <= 0.05) of thousands of transcripts was evident in various stages of fruit development and ripening. Novel transcripts for biosynthesis of mono-terpenes, sesqui-terpenes, di-terpenes, lactones and furanones involved in flavor formation were identified. Large number of transcripts encoding cell wall modifying enzymes was found to be steady in their expression, while few were differentially regulated through these stages. Novel 79 transcripts of inhibitors of cell wall modifying enzymes were simultaneously detected throughout Alphonso fruit development and ripening, suggesting controlled activity of these enzymes involved in fruit softening.1 aDeshpande, Ashish, B.1 aAnamika, Krishanpal1 aJha, Vineet1 aChidley, Hemangi, G.1 aOak, Pranjali, S.1 aKadoo, Narendra, Y.1 aPujari, Keshav, H.1 aGiri, Ashok, P.1 aGupta, Vidya, S. uhttps://library.ncl.res.in/content/transcriptional-transitions-alphonso-mango-mangifera-indica-l-during-fruit-development-and01944nas a2200181 4500008004100000245011200041210006900153260000800222300002200230490000700252520126400259100001601523700002501539700002601564700002301590700002001613856012901633 2017 eng d00aTubulointerstitial nephritis antigen-like 1 protein is downregulated in the placenta of pre-eclamptic women0 aTubulointerstitial nephritis antigenlike 1 protein is downregula cMAR aArticle Number: 80 v143 aBackground: Tubulointerstitial nephritis antigen-like 1 protein (TINAGL1), is a matricellular protein, known to play role in cell adhesion and cell receptor interaction. Research related to TINAGL1 is limited to cell culture and animal models. Demonstration of TINAGL1 as a positive regulator of angiogenesis and its expression in the decidua of postimplantation mouse uterus, prompted us to validate its expression in human placenta during impaired angiogenesis in pre-eclamptic condition. Methods: Placental tissue from normotensive (n = 25) and pre-eclamptic (n = 25) pregnancies were used to study the differentially expressed proteins by two-dimensional gel electrophoresis and TINAGL1 protein was validated with Western blotting. Results: A total of 55 protein spots were differentially expressed (fold change > 1.5, p < 0.05), of which 27 were upregulated and 28 were downregulated in the pre-eclamptic placenta. TINAGL1 was found to be downregulated in pre-eclamptic compared to normotensive pregnant women. Conclusion: This is the first study reporting TINAGL1 to be present in human placenta and differentially expressed in pre-eclamptic condition. The functional role of TINAGL1 in association to human pregnancy needs to be explored further.1 aMary, Sheon1 aKulkarni, Mahesh, J.1 aMehendale, Savita, S.1 aJoshi, Sadhana, R.1 aGiri, Ashok, P. uhttps://library.ncl.res.in/content/tubulointerstitial-nephritis-antigen-1-protein-downregulated-placenta-pre-eclamptic-women02151nas a2200133 4500008004100000245015800041210006900199260000800268490000800276520156000284100002701844700001601871856013001887 2017 eng d00aTuning of the magnetostrictive properties of cobalt ferrite by forced distribution of substituted divalent metal ions at different crystallographic sites0 aTuning of the magnetostrictive properties of cobalt ferrite by f cMAR0 v1213 aComparative studies have been made to understand the role of different crystallographic site preferences of the substituted non-magnetic divalent metal ions in the magnetostrictive properties of cobalt ferrite, by substitution of Zn2+ and/or Mg2+ for Fe3+ in CoMgxFe2-xO4, CoZnxFe2-xO4, and CoMgx/2Znx/2Fe2-xO4 (0.0 <= x <= 0.2). Detailed Raman spectral and magnetic characterizations are made to extract the information on the tetrahedral/octahedral site preferences of Zn and Mg in the spinel lattice of cobalt ferrite. The structural, microstructural, magnetic, Raman spectral, and magnetostrictive parameters of the studied compositions show distinguishable variations for x< 0.1 and x >= 0.1. Co-substitution of a small amount of Mg and Zn for Fe in CoMgx/2Znx/2Fe2-xO4 (x < 0.1) showed relatively larger strain sensitivity, [d lambda/dH](max) (-2.6 x 10(-9) mA(-1) for x = 0.05), higher than that for the Mg-substituted samples (-2.05 x 10(-9) mA(-1) for x = 0.05) and comparable to that for the Zn-substituted samples (-2.47 x 10(-9) mA(-1) for x = 0.05), without much drop in the maximum value of magnetostriction, lambda(max) (-189 ppm for x = 0.05) compared to that for the unsubstituted counterpart (-221 ppm). The results show that it is possible to obtain high strain sensitivity (at fields < 50 kA/m), along with high magnetostriction strain at low magnetic fields (similar to 250 kA/m), by tuning the distribution of the substituted cations in the tetrahedral and octahedral sites of the cobalt ferrite lattice. Published by AIP Publishing.1 aAnantharamaiah, P., N.1 aJoy, P., A. uhttps://library.ncl.res.in/content/tuning-magnetostrictive-properties-cobalt-ferrite-forced-distribution-substituted-divalent01961nas a2200181 4500008004100000245013300041210006900174260000800243300001400251490000600265520127600271100002401547700002101571700002301592700001901615700001801634856012701652 2017 eng d00aTwo-dimensional infrared spectroscopy reveals cosolvent-composition-dependent crossover in intermolecular hydrogen bond dynamics0 aTwodimensional infrared spectroscopy reveals cosolventcompositio cAPR a1604-16090 v83 aCosolvents have versatile composition-dependent applications in chemistry and biology. The simultaneous presence of hydrophobic and hydrophilic groups in dimethyl sulfoxide (DMSO), an industrially important amphiphilic cosolvent, when combined with the unique properties of water, plays key roles in the diverse fields of pharmacology, cryoprotection, and cell biology. Moreover, molecules dissolved in aqueous DMSO exhibit an anomalous concentration-dependent nonmonotonic behavior in stability and activity near a critical DMSO mole fraction of 0.15. An experimental identification of the origin of this anomaly can lead to newer chemical and biological applications. We report a direct spectroscopic observation of the anomalous behavior using ultrafast twodimensional infrared spectroscopy experiments. Our results demonstrate the cosolventconcentration-dependent nonmonotonicity arises from nonidentical mechanisms in ultrafast hydrogen-bond-exchange dynamics of water above and below the critical cosolvent concentration. Comparison of experimental and theoretical results provides a molecular-level mechanistic understanding: a distinct difference in the stabilization of the solute through dynamic solute solvent interactions is the key to the anomalous behavior.1 aKashid, Somnath, M.1 aJin, Geun, Young1 aChakrabarty, Suman1 aKim, Yung, Sam1 aBagchi, Sayan uhttps://library.ncl.res.in/content/two-dimensional-infrared-spectroscopy-reveals-cosolvent-composition-dependent-crossover01743nas a2200217 4500008004100000245008400041210006900125260000800194300001200202490000900214520103700223653002101260653002201281653003001303653001901333653001701352100001401369700001301383700002001396856010901416 2017 eng d00aUltrananocrystalline diamond decoration on to the single wall carbon nano tubes0 aUltrananocrystalline diamond decoration on to the single wall ca cOCT a401-4050 v 4183 a

We have demonstrated the decoration of the ultrananocrystalline diamonds on single walled carbon nanotubes using a hot filament assisted chemical vapor deposition. Study reveals the critical influence of the filament to substrate distance on the formation of ultrananocrystalline diamonds on to the single walled carbon nanotubes. It is also observed that etching of carbon nanotubes, due to the presence of unavoidable atomic hydrogen throughout the chemical vapor deposition processes, can be significantly reduced by adjusting the filament to substrate distance. Morphological and structural investigations performed using high resolution transmission electron microscope suggests the growth of ultrananocrystalline diamond is subsequent to the formation of crystalline sp2 carbon layer on the nanotube wall, enabling us to suggest a growth model. The composite synthesized can be thought not only to use as a fuel cell catalyst support but also as chemical sensors, bio-sensors and micro electromechanical systems (MEMS).

10aCarbon nanotubes10aComposite Coating10aElectron microscopy (STEM10aNanostructures10aTEM and SEM)1 aSinha, B.1 aLate, D.1 aJejurikar, S.M. uhttps://library.ncl.res.in/content/ultrananocrystalline-diamond-decoration-single-wall-carbon-nano-tubes01698nas a2200145 4500008004100000245009400041210006900135260000800204300001600212490000700228520117100235100001801406700001701424856011101441 2017 eng d00aUnusual role of the aromatic solvent in single site Al(I) chemistry: insights from theory0 aUnusual role of the aromatic solvent in single site AlI chemistr cJUL a13957-139630 v233 aThe single site activation of strong σ bonds (such as that of H-H, P-H and N-H) remains a significant challenge in main group chemistry, with only a few cases reported to date. In this regard, recent exciting experiments done with Al(I) complexes hold significance, because they, too, have been seen to activate a variety of strong σ bonds. Such chemistry is generally seen to occur in aromatic solvents. The current computational studies with density functional theory (DFT) reveal the interesting reason for this: it is seen that an explicit aromatic solvent molecule acts as a catalyst by converting the Al(I) complex to Al(III) during the process. Different cases of σ bond activation by Al(I) complexes have been investigated and the efficiency for the H-X (X=H, NHtBu, PPh2) bond activation in the presence of an explicit benzene solvent molecule has been seen to be orders of magnitude higher than in its absence. The current work therefore reveals the chemistry of Al(I) complexes to be richer and more complex than realized to date, and shows it to be dependent on metal-solvent cooperativity, the first known example of its kind in main group chemistry.1 aJain, Shailja1 aVanka, Kumar uhttps://library.ncl.res.in/content/unusual-role-aromatic-solvent-single-site-ali-chemistry-insights-theory01730nas a2200217 4500008004100000245005600041210005500097260000800152520106400160653002401224653001601248653001601264653001701280653002501297100001901322700002301341700002001364700002201384700002101406856008501427 2017 eng d00aValorization of potato peel: a biorefinery approach0 aValorization of potato peel a biorefinery approach cJUN3 a

Potato is the fourth main crop consumed worldwide and is an important constituent in the human diet. Consequently, potato is widely used in food-processing industries. However, these industries generate massive amounts of potato peel (PP) as a by-product, which is usually considered a waste, and is discarded. Interestingly, recent research suggests that PP is a valuable source of bioactive compounds, which can be converted into value-added products. In this study, we review the physicochemical composition and valorization of PP. In addition to being used as a dietary fiber or medicine, the value-added products obtained by the fermentation of PP have multiple uses, including their use as adsorbents, biocomposites and packaging materials. These products can also be used in energy production, biopolymer film development, corrosion inhibition and the synthesis of cellulose nanocrystals. The biorefinery approach for PP will increase the value of this waste by producing an array of value-added products and reducing extensive waste generation.

10aBioactive compounds10aBiorefinery10aPotato peel10aValorization10aValue-added products1 aPathak, P., D.1 aMandavgane, S., A.1 aPuranik, N., M.1 aJambhulkar, S., J1 aKulkarni, B., D. uhttps://library.ncl.res.in/content/valorization-potato-peel-biorefinery-approach01649nas a2200169 4500008004100000245015600041210006900197260000800266300001200274490000700286520097100293100002101264700002001285700002201305700002101327856013101348 2017 eng d00aVapor-liquid equilibrium data for binary mixtures of acetic acid plus anisole, acetone plus anisole, and isopropanol plus anisole at pressure 96.15 kPa0 aVaporliquid equilibrium data for binary mixtures of acetic acid  cMAR a947-9530 v623 aIn this work, the vapor-liquid equilibrium (VLE) data have been generated at the local atmospheric pressure of 96.15 kPa for the binary systems acetic acid + anisole, acetone + anisole, and isopropanol + anisole. A circulation type apparatus was designed and developed with few modifications in one of the stills proposed in the literature. For the validation of the new apparatus, VLE data were generated for the known system of N,N-DMF + aniline and compared with the literature data. The VLE data, generated in Txy form for all pairs, were found to be consistent through the point-to-point consistency test. Activity coefficient models, Wilson, NRTL, and UNIQUAC, were fitted to these data using an objective function of minimizing the sum of deviation between experimental and calculated total pressures to estimate the binary interaction parameters. The model predictions with estimated parameters were compared with the experimental data and found appropriate.1 aMali, Nilesh, A.1 aMali, Pawan, K.1 aPatil, Asmita, P.1 aJoshi, Sunil, S. uhttps://library.ncl.res.in/content/vapor-liquid-equilibrium-data-binary-mixtures-acetic-acid-plus-anisole-acetone-plus-anisole01892nas a2200169 4500008004100000245019900041210006900240260000800309300001400317490000700331520116900338100002101507700002501528700002201553700002201575856012501597 2017 eng d00aVapor-liquid equilibrium data for binary mixtures of dimethyl carbonate with methyl acetate, ethyl acetate, n-propyl acetate, isopropyl acetate, n-butyl acetate, and isoamyl acetate at 93.13 kPa0 aVaporliquid equilibrium data for binary mixtures of dimethyl car cDEC a4356-43630 v623 aIsobaric vapor-liquid equilibrium (VLE) data was measured at the local atmospheric pressure of 93.13 kPa for the binary systems of dimethyl carbonate (DMC) with methyl acetate, ethyl acetate, n-propyl acetate, isopropyl acetate, n-butyl acetate, and isoamyl acetate using a dynamic recirculation still. VLE data was generated in the form of T-x,y and was checked for thermodynamic consistency using the Herington area test, Van Ness test, and mean absolute deviation between experimental and calculated total pressure and vapor phase composition. Data for all pairs meet the criteria for thermodynamic consistency and were found suitable for process modeling. Binary interaction parameters for the Wilson, nonrandom two-liquid (NRTL), and universal quasichemical (UNIQUAC) activity coefficient models were determined using the objective function of minimizing the deviation between the experimental and the calculated vapor phase composition and total pressure. For all binary systems, Wilson, NRTL, and UNIQUAC models gave good predictions. Azeotropic behavior was observed for the isopropyl acetate-DMC pair at 357.8 K and 0.6 mole fraction of isopropyl acetate.1 aMali, Nilesh, A.1 aYadav, Satyajeet, S.1 aGhuge, Pravin, D.1 aJoshi, Sunil., S. uhttps://library.ncl.res.in/content/vapor-liquid-equilibrium-data-binary-mixtures-dimethyl-carbonate-methyl-acetate-ethyl02432nas a2200193 4500008004100000245014200041210006900183260000800252300000900260520172500269653001401994653001602008100001502024700002202039700001802061700001802079700001502097856012602112 2017 eng d00aViable alternative in vitro system and comparative metabolite profiling of different tissues for the conservation of ceropegia karulensis0 aViable alternative in vitro system and comparative metabolite pr cAUG a1-153 aAbstract: Ceropegia karulensis is an endemic and critically endangered plant of the Western Ghats from India. Exploitation of the tubers and poor regeneration from seed has narrowed distribution and propagation of the species. There is a need to develop in vitro propagation methods for C. karulensis to alleviate these problems. Here, we optimized callus induction, somatic embryogenesis and microtuberization from different seedling explants viz. cotyledonary leaf and root. The environmental scanning electron microscopy was used to observe somatic embryonic origin and their developmental stages. Highest callus proliferation was recorded with 2 µM 6-benzylaminopurine and 1 µM 2,4-dichlorophenoxyacetic acid. Somatic embryos derived from cotyledonary leaf explants were more proliferative than root explants. The combination of 2 µM 6-benzylaminopurine, 2 µM naphthalene acetic acid and 7% sucrose in MS media resulted in highest microtuberization. Further, gas chromatography-mass spectrometry based metabolic profiling was carried out from native wild plants and in vitro callus tissues which identified various phytochemicals such as alkaloids, fatty acids, esters alcohols, etc. Multivariate analysis revealed the chemical disparities, where considerable variations were observed between native wild type and in vitro tissues, but no significant differences were found among in vitro callus from both root and cotyledonary explants. Overall, our results suggested that the production of various secondary metabolites found in C. karulensis was not affected by in vitro propagation and could be utilized in the conservation strategies for this plant. Graphical Abstract: [Figure not available: see fulltext.]10aalkaloids10aMetabolites1 aPandey, M.1 aJayaramaiah, R.H.1 aDholakia, B.B1 aPunekar, S.A.1 aGiri, A.P. uhttps://library.ncl.res.in/content/viable-alternative-vitro-system-and-comparative-metabolite-profiling-different-tissues02884nas a2200301 4500008004100000022001400041245016300055210006900218260000800287300001800295490000800313520181300321653002402134653002002158653001402178653001702192653001202209653002902221653001902250653002802269653003602297653001502333100001602348700002902364700002702393700003002420856013202450 2017 eng d a1932-744700aWater mediated deactivation of Co3O4 naonrods catalyst for CO oxidation and resumption of activity at and above 373 K: electronic structural aspects by NAPPES0 aWater mediated deactivation of Co3O4 naonrods catalyst for CO ox cSEP a20296–203050 v1213 a

The catalytic activity of the Co3O4 nanorods (NRs) for the CO oxidation reaction and the effect of water on the catalytic reaction have been explored with near-ambient pressure photoelectron spectroscopy (NAPPES) and mass spectral analysis. Comparative NAPPES studies have been employed to understand the elucidation of the catalytic reaction pathway and the evolution of various surface species. The results confirm the suppression of the CO oxidation activity on the Co3O4 NRs in the presence of water vapor. Various type of surface species, such as CO(ads), hydroxyl, carbonate, formate, are found to be present on the catalyst surface depending on the reaction conditions. Vibrational features of CO, O-2, and CO, were observed and shift in binding energy of these features under the reaction conditions directly suggests a change in work function of the catalyst surface. Under dry conditions, CO couples with labile 0 atoms to form CO2; however, under wet conditions, CO predominantly interacts with surface OH groups resulting in the formation of carbonate and formate intermediates. In situ studies of oxidation of CO on Co3O4 shows that CO oxidation depends not only on surface Co3+ concentration but also influenced by Co-3/Co' ratio on the catalyst surface. The carbonate was found to be a reaction inhibitor at room temperature; however, it acts as an active intermediate at 375 K and above. Above the boiling point of water, Co3O4 NR surfaces begin to show the oxidation activity even in the presence of water vapor. The intrinsic role of intermediate species was used to derive a possible reaction mechanism under different reaction conditions.

10aAmbinent-temprature10acarbon monoxide10aGas Shift10aH Activation10aIn-situ10aLow-temprature oxidation10aMolecular-beam10aPerformance enhancement10aRay Photoelectron-Spectroscopyu10aThin-films1 aJain, Ruchi1 aReddy, Kasala, Prabhakar1 aGhosalya, Manoj, Kumar1 aGopinath, Chinnakonda, S. uhttps://library.ncl.res.in/content/water-mediated-deactivation-co3o4-naonrods-catalyst-co-oxidation-and-resumption-activity-and02404nas a2200169 4500008004100000245007900041210006900120260000800189300001600197490000600213520177800219100003901997700003102036700002902067700002502096856011302121 2018 eng d00a Albumin abundance and its glycation Status determine hemoglobin glycation0 aAlbumin abundance and its glycation Status determine hemoglobin  cOCT a12999-130080 v33 aDiabetes diagnosis and management majorly depend upon the measurement of glycated hemoglobin (HbAlc) levels. Various factors influence HbAlc levels such as the use of various analytical methods and the presence of various clinical conditions. Plasma albumin levels were known to be negatively associated with HbAlc. However, the precise mechanism by which they affect HbAlc is not well' understood. Therefore, we have studied the influence of albumin levels and its glycation status on hemoglobin glycation using erythrocyte culture experiments. Erythrocytes maintained at low albumin concentration exhibited relatively increased albumin and hemoglobin glycation as compared to that in those maintained at higher albumin concentration. Increase in albumin glycation may decrease its ability to protect hemoglobin glycation. This was demonstrated by treatment of erythrocytes with N(epsilon-(carboxymethyl)lysine-modified serum albumin (CMSA), which failed to protect hemoglobin glycation; instead, it increased hemoglobin glycation. The inability of CMSA to reduce hemoglobin glycation was due to the lack of free lysine residues of albumin, which was corroborated by using N(epsilon-(acetyI)lysine serum albumin (AcSA) and clinical diabetic plasma. This is the first study which demonstrates that the modification of lysine residues of albumin impairs its ability to inhibit hemoglobin glycation. Furthermore, correlation studies between HbAlc and albumin levels or relative albumin fructosamine from clinical subjects supported our experimental finding that albumin abundance and its glycation status influence hemoglobin glycation. Therefore, we propose albumin level and its glycation status to be quantified in conjunction with HbAlc for better management of diabetes.1 aJagadeeshaprasad, Mashanipalya, G.1 aVenkatasubramani, Vinashya1 aUnnikrishnan, Ambika, G.1 aKulkarni, Mahesh, J. uhttps://library.ncl.res.in/content/albumin-abundance-and-its-glycation-status-determine-hemoglobin-glycation01895nas a2200157 4500008004100000022001400041245004600055210004300101260000800144300001400152490000700166520144700173100001701620700002601637856007401663 2018 eng d a1463-907600aAu26: a case of fluxionality/co-existence0 aAu26 a case of fluxionalitycoexistence cAPR a8616-86230 v203 a

The Au26 cluster is one of the widely studied gold clusters in the size range of n = 21–30. It has been proposed in a more recent combined experimental and theoretical study that the neutral Au26 cluster is fluxional. The fluxionality of a cluster is relevant to its catalytic applications. In this context, to explore the extent of fluxionality, Born Oppenheimer Molecular Dynamical (BOMD) simulations are carried out on experimentally and theoretically proposed fluxional Au26 conformations (three compact or core–shell structures and a high symmetry cage structure). The simulations reveal that the high energy golden tube outperforms the ground state structure (compact C2v conformation) as well as the other two low-symmetry compact conformations in terms of thermal stability. The enhancement in the thermal stability is explained on the basis of structural integrity imposed by the open skeleton of shortest bond distances within Au26-Tube. In addition to this, the homogeneous distribution of charges and the strong s–d hybridization exhibited by FMOs are seen to play a pivotal role in increasing the stability of Au26-Tube. The present investigation also reveals that the characteristic fluxionality proposed to exist in the Au26 system is noted only above 400 K and it is missing at room temperature. The simulations also bring forth the question of how relevant a ground state conformation is at working temperatures.

1 aJoshi, Krati1 aKrishnamurty, Sailaja uhttps://library.ncl.res.in/content/au26-case-fluxionalityco-existence01167nas a2200241 4500008004100000022001500041245009200056210006900148260000800217300001400225490000700239520040200246100001700648700002100665700001900686700001900705700001900724700001600743700001600759700001600775700001600791856011800807 2018 eng d a 0887-624X00a Balancing antimicrobial performance with hemocompatibility in amphiphilic homopolymers0 aBalancing antimicrobial performance with hemocompatibility in am cNOV a2391-23960 v563 aThis work establishes amphiphilic polymethacrylates as new antimicrobial candidates that can be synthesized through a combination of controlled free radical polymerization and sequential postpolymerization modification protocols. When conjugated with a polyethylene glycol segment, the block copolymers exhibit a balanced performance between high antibacterial activity and high hemocompatibility.1 aZhu, Zhiyuan1 aJeong, Gookyeong1 aKim, Seung-Jin1 aGadwal, Ikhlas1 aChoe, Youngson1 aBang, Joona1 aOh, Min-Kyu1 aKhan, Anzar1 aRao, Jingyi uhttps://library.ncl.res.in/content/balancing-antimicrobial-performance-hemocompatibility-amphiphilic-homopolymers01933nas a2200241 4500008004100000022001400041245007300055210006900128260000800197300001200205490000800217520116600225653001701391653002001408653001601428653002601444100002001470700002801490700002901518700002501547700001501572856010401587 2018 eng d a0038-092X00aCarbon fabric based solar steam generation for waste water treatment0 aCarbon fabric based solar steam generation for waste water treat cJAN a800-8100 v1593 a

Decontamination of waste water is one of the most practical techniques to tackle the worldwide clean water shortage. In recent times, solar steam based decontamination of contaminated water has been attested as a potential sustainable strategy to get clean water using renewable resources. Herein, we report the utilization of Carbon fabric and Titanium Nanorods on Carbon Fabric for solar steam based water purification techniques. The performance of Carbon Fabric was tested under different conditions and the results proved that Carbon Fabric has excellent light to heat conversion capabilities in both real and ideal conditions. Owing to the excellent performance of Carbon Fabric, it was used for purification of different types of contaminated water. About 99.9% of salt and 87% of organic contaminants were removed from saline water and organic waste water respectively, using a simple low cost carbon fabric based homemade prototype. We also present the application of Titanium Nanorods on carbon fabric for the efficient removal of dye molecules like Rhodamine B from contaminated water using solar driven interfacial steam generation mechanism.

10aDesalination10aDye degradation10aSolar steam10aWaste water treatment1 aHiggins, M., W.1 aRahmaan, Shakeel, A. R.1 aDevarapalli, Rami, Reddy1 aShelke, Manjusha, V.1 aJha, Neetu uhttps://library.ncl.res.in/content/carbon-fabric-based-solar-steam-generation-waste-water-treatment00913nas a2200145 4500008004100000245015700041210006900198260000800267300001400275490000600289520030100295100002500596700002100621856012500642 2018 eng d00aChiral amino-acid-amide based ionic liquids as a stereoselective organocatalyst in asymmetric transfer hydrogenation of acetophenone at room-temperature0 aChiral aminoacidamide based ionic liquids as a stereoselective o cMAR a2623-26250 v33 aChiral Ionic Liquids (CILs) of amino acid amide were synthesized and used as novel organo catalyst for Asymmetric Transfer Hydrogenation (ATH) of acetophenone at room temperature. The developed CILs show very high yield and excellent enantio-selectivity in transfer hydrogenation of acetophenone.1 aJavle, Balasaheb, R.1 aKinage, Anil, K. uhttps://library.ncl.res.in/content/chiral-amino-acid-amide-based-ionic-liquids-stereoselective-organocatalyst-asymmetric02644nas a2200277 4500008004100000022001400041245011100055210006900166260000800235300000800243490000600251520174300257653002102000653002302021653001102044653002402055653001402079100001702093700001802110700002202128700002002150700002102170700002402191700002502215856012602240 2018 eng d a2190-572X00aCloning and characterization of trehalase: a conserved glycosidase from oriental midge, Chironomus ramosus0 aCloning and characterization of trehalase a conserved glycosidas cAUG a3520 v83 a

Insect trehalase is a multiferous enzyme, crucial for normal physiological functions as well as under stress conditions. In this report, we present a fundamental study of the trehalase gene segment (1587 bp) from Chironomus ramosus (CrTre) encoding for 529 amino acids, using appropriate bioinformatics tools. C. ramosus, a tropical midge is an emerging animal model to investigate the consequences of environmental stresses. We observed that CrTre belongs to GH family 37 in the CAZy database and possess 57-92% identity to dipteran trehalases. In silico characterization provided information regarding the structural, functional and evolutionary aspects of midge trehalase. In the phylogenetic tree, CrTre clustered with the soluble dipteran trehalases. Moreover, domain functional characterization of the deduced protein sequence by InterProScan (IPR001661), ProSite (PS00927 and PS00928) and Pfam (PF01204) indicated presence of highly conserved signature motifs which are important for the identification of trehalase superfamily. Furthermore, the instability index of CrTre was predicted to be < 40 suggesting its in vivo stability while, the high aliphatic index indicated towards its thermal stability (index value 71-81). The modelled 3D tertiary structure of CrTre depicts a (alpha/alpha)(6) barrel toroidal core. The catalytic domain of the enzyme comprised Glu424 and Asp226 as the putative active site residues. Interestingly, the conserved motifs were observed to be formed by the flexible loopy regions in the tertiary structure. This study revealed essential sequence features of the midge trehalase and offers better insights into the structural aspects of this enzyme which can be correlated with its function.

10aConserved motifs10aHomology modelling10aMidges10aSecondary structure10atrehalose1 aShukla, Ekta1 aThorat, Leena1 aBendre, Ameya, D.1 aJadhav, Santosh1 aPal, Jayanta, K.1 aNath, Bimalendu, B.1 aGaikwad, Sushama, M. uhttps://library.ncl.res.in/content/cloning-and-characterization-trehalase-conserved-glycosidase-oriental-midge-chironomus03028nas a2200205 4500008004100000245010900041210006900150260000800219300001200227490000800239520232400247100001902571700002002590700001702610700001402627700001802641700001602659700002202675856012502697 2018 eng d00aClose loop separation process for the recovery of Co, Cu, Mn, Fe and Li from spent lithium-ion batteries0 aClose loop separation process for the recovery of Co Cu Mn Fe an cJUL a327-3340 v2003 aLithium-ion batteries (LIBs) are essential energy source used in advanced electronic gadgets for getting constant and continuous power supply. Huge amount of spent LIBs are generated after their end use. LIBs contain metals, organics and plastics which require proper treatment before disposal. Keeping in view of stringent environmental regulations, limited natural resources and energy crisis, adopting recycling will not only protect the environment and pacify the gap between demand and supply but also conserve the natural resources. Present paper reports a complete process for the recycling of LIBs to recover metals and materials as value added products fulfilling zero waste concept. Initially, the spent LIBs were crushed and beneficiated by wet scrubbing process to separate cathodic material, plastic and metallic fractions. The cathodic material contained 20% Co and 2.4% Li along with other impurities (Mn, Fe, Cu). The cathodic material obtained from different LIBs were homogenized and put to leaching studies to optimize various process parameters viz. effect of leachant concentration, temperature, time, etc. About 97% Co and 99.99% Li were leached using 2 M H2SO4 and 10% H2O2 at room temperature, in 2 h maintaining pulp density 75 g/L. Kinetics for leaching of Co fitted well with Chemical reaction control dense constant size cylindrical particles model, i.e. 1 - (1 - X)(1/2) = Kct. The leach liquor obtained was further processed to recover Mn and Fe using (NH4)(2)S2O8 as a precipitant whereas 99.99% Cu was extracted using LIX 84 IC at eq. pH 2, O/A ratio 1/1 and mixing time 5 min. Further, from the leach liquor depleted with Mn, Fe and Cu, similar to 98% Co was extracted using 20% Cyanex 272 at pH 4.8 in 10 min maintaining phase ratio (O/A) 1/1 in two stages, leaving Li in the raffinate. From the pure Co solution, value added products as metal and salt were produced using electrowinning/evaporation/precipitation techniques. The TCLP test of leached residue shows the presence of metals within permissible limit and the effluent generated was treated in an effluent treatment plant (ETP) with standard procedure and recycled to the system. The developed clean process is economical as well as environment friendly and has potential to be translated in industry after scale-up studies.1 aDutta, Deblina1 aKumari, Archana1 aPanda, Rekha1 aJha, Soni1 aGupta, Divika1 aGoel, Sudha1 aJha, Manis, Kumar uhttps://library.ncl.res.in/content/close-loop-separation-process-recovery-co-cu-mn-fe-and-li-spent-lithium-ion-batteries01623nas a2200181 4500008004100000022001400041245011200055210006900167260000900236300001600245490000600261520097600267100001801243700001801261700001501279700001801294856012901312 2018 eng d a2470-134300aCobalt-doped Ba2In2O5 brownmillerites: an efficient electrocatalyst for oxygen reduction in alkaline medium0 aCobaltdoped Ba2In2O5 brownmillerites an efficient electrocatalys cFEB  a1710–17170 v33 aA series of compounds with cobalt doping in the indium site of Ba2In2O5 brownmillerites exhibited excellent oxygen reduction activity under alkaline conditions. Doping (25%) retains the brownmillerite structure with disorder in the O3 site in the two-dimensional alternate layer along the ab plane. Further substitution of cobalt in the indium site leads to the loss of a brownmillerite structure, and the compound attains a perovskite structure. Cobalt-doped samples exhibited far better oxygen reduction reaction (ORR) activity when compared to the parent Ba2In2O5 brownmillerite. Among the series of compounds, BaIn0.25Co0.75O3−δ with the highest Co doping and oxygen vacancies randomly distributed in the lattice exhibited the best ORR activity. BaIn0.25Co0.75O3−δ showed a 40 mV positive shift in the onset potential with better limiting current density and a nearly four-electron-transfer reduction pathway when compared to the parent Ba2In2O5 brownmillerite.1 aJijil, C., P.1 aPatil, I., M.1 aKakade, B.1 aDevi, Nandini uhttps://library.ncl.res.in/content/cobalt-doped-ba2in2o5-brownmillerites-efficient-electrocatalyst-oxygen-reduction-alkaline01993nas a2200193 4500008004100000022001400041245010200055210006900157260000800226300001500234490000700249520128400256100001801540700001701558700002801575700003301603700003301636856013001669 2018 eng d a1144-054600aComposite thin film of simultaneously formed carbon and SnO2 QDs for supercapacitance application0 aComposite thin film of simultaneously formed carbon and SnO2 QDs cMAR a 8823-88300 v423 aComposite material with uniform size and structure is a critical asset that decides its properties like charge transfer, thermal, photoluminescence, mechanical, etc. and consequently the applications. Here for the first time, we report the concept of flame/combustion at liquid-liquid interface to synthesize in situ, thin film formation of composite consisting of two or more quantum dots. Synthesis of thin films of a composite containing C and SnO2 QDs having particle sizes below 3 nm was successfully done. As compared to a single quantum dots system, the formed composite showed significantly improved specific capacitance due to the synergistic effect arising from strong interaction between C and SnO2 QDs. This was confirmed by XPS, UV visible spectroscopy and photoluminescence spectra. Moreover, it was confirmed that even after 1000 charge/discharge cycles, the interaction between C and Sn remained unaltered; indicating significant stability of capacitance. Some of the advantages of this method include one step, eco-friendly process at ambient conditions. The generality of the method was established by synthesizing C-ZnO and C-TiO2 composite thin film. This new approach can be extended to form many other valuable composite thin films for various applications.1 aJadhav, Aarti1 aPatil, Sagar1 aPatil, Kashinath, Rangu1 aSathaye, Shivaram, Dattatray1 aRode, Chandrashekhar, Vasant uhttps://library.ncl.res.in/content/composite-thin-film-simultaneously-formed-carbon-and-sno2-qds-supercapacitance-application02126nas a2200241 4500008004100000022001400041245011400055210006900169260000800238300001000246490000600256520133800262653001901600653002501619653001101644653000901655653002001664100002201684700001501706700001801721700001901739856012601758 2018 eng d a2062-249X00aContinuous flow synthesis of micron size silica nanoparticles: parametric study and effect of dosing strategy0 aContinuous flow synthesis of micron size silica nanoparticles pa cJUN a59-670 v83 a

This work for the first time reports continuous flow synthesis of silica nano-particles of size over 1 mu m using a simple tubular reactor. The systematic approach involves the study of effect of various parameters like: ammonia concentration, water concentration, electrolyte concentraton, temperature, solvent, residence time and mode of TEOS injection over a wide range. A combination of ethanol and butanol was used as the medium with relatively lower polarity. Various process parameters were optimized to obtain highly monodispersed particles of size up to 600 nm and high yield (up to 90%). Attempts of reducing the reaction time by increasing temperature or concentrations of any of the reagents resulted in significant polydispersity and even in the formation of random shape agglomerates. At the optimized conditions almost complete conversion of TEOS happenned within 40 min and further growth of particles was achieved by adding TEOS using multipoint injection approach. While multipoint dosing resulted in the formation of very small number of secondary particles, the larger particles continued to grow beyond 800 nm. Further reduction in the polarity of reaction medium was achieved by adding 20% v/v of toluene, which without changing homogeneity of the solution resulted in particles as large as 0.9-1.1 mu m.

10aFlow synthesis10aMultipoint injection10asilica10aTEOS10aTubular reactor1 aJundale, Rajashri1 aBari, Atul1 aThara, Chinnu1 aKulkarni, Amol uhttps://library.ncl.res.in/content/continuous-flow-synthesis-micron-size-silica-nanoparticles-parametric-study-and-effect00616nas a2200145 4500008004100000245008100041210006900122260005400191100003100245700002200276700002400298700001800322700001800340856011200358 2018 eng d00aControlled release nanocomposite microcapsules for agricultural applications0 aControlled release nanocomposite microcapsules for agricultural  aBoston, MAbAmerican-Chemical-Society (ACS) cAUG1 aShanmuganathan, Kadhiravan1 aShukla, Parshuram1 aJagtap, Siddheshwar1 aPatil, Vishal1 aSapre, Aditya uhttps://library.ncl.res.in/content/controlled-release-nanocomposite-microcapsules-agricultural-applications00880nas a2200169 4500008004100000245013100041210006900172260000800241300001500249490000700264520023800271100001700509700001900526700001800545700002100563856012600584 2018 eng d00aConvenient synthesis of the enantiomerically pure (S)-2,4-dihydroxybutyl-4-hydroxybenzoate using hydrolytic kinetic resolution0 aConvenient synthesis of the enantiomerically pure S24dihydroxybu cJUL a 2093-20980 v483 a(S)-2,4-Dihydroxybutyl-4-hydroxybenzoate was prepared in an extremely simple and practical way with high enantiomeric excess (99% ee) using Jacobsen’s Hydrolytic Kinetic Resolution technique as a key step and source of chirality. 1 aMore, N., A.1 aJadhao, N., L.1 aGarud, D., R.1 aGajbhiye, J., M. uhttps://library.ncl.res.in/content/convenient-synthesis-enantiomerically-pure-s-24-dihydroxybutyl-4-hydroxybenzoate-using02070nas a2200241 4500008004100000022001300041245014600054210006900200260000800269300001200277490000700289520123700296100001701533700001801550700002301568700002301591700001701614700001601631700001701647700001701664700002201681856012501703 2018 eng d a2452014400aDe novo transcriptome analysis of the egg parasitoid Trichogramma chilonis Ishii (Hymenoptera: Trichogrammatidae): a biological control agent0 aDe novo transcriptome analysis of the egg parasitoid Trichogramm cDEC a115-1290 v133 aTrichogramma chilonis Ishii is an endoparasitic wasp widely used as a biological control agent of economically important pests. However, absence of genetic information on T. chilonis hampers further research, especially at the molecular level. Here, we performed the first RNA-Seq of the adult T. chilonis. A total of 18,372,639 high-quality reads were generated using Illumina pair-ended sequencing platform. De novo assembly resulted into 24,488 transcripts, with mean length and N50 values of 1444.2 bp and 2667 bp, respectively. Of the transcripts, 14,643 exhibited putative homology with class Insecta proteins from UniPROT database. To understand the contig functions, gene descriptions, gene ontology and cluster of orthologous group annotations were analyzed. Following functional annotation, a number of transcripts encoding detoxification, target receptor action and olfaction- related proteins were identified and analyzed. In addition, 4520 transcripts containing simple sequence repeats, ranging from dinucleotide to hexanucleotide repeats were discovered, with trinucleotide being the most enriched repeats. This new sequence resource will shed light on various molecular mechanisms in T. chilonis and related species.1 aKerima, O.Z.1 aNiranjana, P.1 aKumar, B.S., Vinay1 aRamachandrappa, R.1 aPuttappa, S.1 aLalitha, Y.1 aJalali, S.K.1 aBallal, C.R.1 aThulasiram, H. V. uhttps://library.ncl.res.in/content/de-novo-transcriptome-analysis-egg-parasitoid-trichogramma-chilonis-ishii-hymenoptera02227nas a2200205 4500008004100000245013300041210006900174260000800243300001400251490000600265520145700271100002301728700002501751700002201776700002001798700002401818700001901842700002801861856013201889 2018 eng d00aDesign and synthesis of 2-amino-thiophene-tethered ureidopenicillin analogs with potentantibacterial and antitubercular activity0 aDesign and synthesis of 2aminothiophenetethered ureidopenicillin cMAR a3122-31260 v33 aUreidopenicillins are a class of penicillins which are antibiotics active against gram-negative bacteria. Herein, we report the synthesis of 2-aminothiophene-tethered ureidopenicillin analogues and their in vitro antibacterial and antitubercular activity. Intriguingly, unlike the reported ureidopenicillins which are active against gram-negative bacteria, the synthesised 2-aminothiophene-tethered ureidopenicillins were significantly active against Gram-positive bacterial strains and showed moderate inhibition towards gram-negative bacterial strains. Among all the analogs, compound 1b containing 2-aminothiophene moiety with minimum inhibitory concentration (MIC): 0.29, 0.32, > 10, > 10 mg/ml for Staphylococcus aureus, Bacillus subtilis, Escherichia coli and Pseudomonas aeruginosa, respectively, showed better anti-bacterial profile as compared to cephalexin and equipotent to ampicillin and amoxicillin on gram-positive bacterial strains. All the derivatives were also screened for anti-TB activity against mycobacterium tuberculosis H37Ra. Among the series, cycloocta-thiophene-tethered cephalexin analog 3c displayed excellent antitubercular activity with MIC values 0.78 mg/ml. Low cytotoxicity and high selectivity index indicate the efficacy of 3c against mycobacterial infections. The results from present study offer a novel approach to modify the existing drug class of ureidopenicillins to yield antimicrobials with promising utility.1 aWagh, Mahendra, A.1 aBaravkar, Sachin, B.1 aJedhe, Ganesh, S.1 aBorkute, Rachna1 aChoudhari, Amit, S.1 aSarkar, Dhiman1 aSanjayan, Gangadhar, J. uhttps://library.ncl.res.in/content/design-and-synthesis-2-amino-thiophene-tethered-ureidopenicillin-analogs-potentantibacterial02096nas a2200205 4500008004100000022001400041245011500055210006900170260000800239300001600247490000700263520138200270100001801652700001801670700001701688700001801705700002301723700001701746856012701763 2018 eng d a1463-907600aDistribution of water in the pores of periodic mesoporous organosilicates - a proton solid state MAS NMR study0 aDistribution of water in the pores of periodic mesoporous organo cDEC a29351-293610 v203 aSolid state proton (H-1) magic angle spinning (MAS) NMR has been employed to study the distribution of confined water in ethane substituted periodic mesoporous organosilicate (PMOE) materials. Proton spectra acquired at different hydration levels are analysed and interpreted in terms of water clusters of various sizes and distributions of water layers on the pore surface. For comparison, we also performed similar experiments on SBA-15. The formation of larger clusters at lower hydration suggests that the pores of PMOE are getting filled with water at lower hydration levels than those in SBA-15. For PMOE, the simultaneous presence of two major resonances in the ranges 3.6-4.1 ppm and 4.4-5.2 ppm and their behaviour upon hydration imply a water layer distribution that is the sum of two contributions, corresponding to fully filled and partially filled pores or pore segments. Furthermore, the behaviour mentioned above suggests that both radial and axial filling mechanisms play a significant role in the hydration process. For SBA-15, as a function of hydration, we observed a smooth variation in the proton chemical shift of the main dynamic resonance. In accordance with previous studies, this is attributed to the gradual increase in the average thickness of water layers with an increase in hydration, and to a pore filling mechanism that is predominantly radial.1 aVeena, V., S.1 aIllath, Kavya1 aLazar, Anish1 aVinod, C., P.1 aAjithkumar, T., G.1 aJayanthi, S. uhttps://library.ncl.res.in/content/distribution-water-pores-periodic-mesoporous-organosilicates-proton-solid-state-mas-nmr01902nas a2200301 4500008004100000022001400041245013000055210006900185260000900254300001000263490000800273520089400281653002501175653001201200653003701212653002501249653001401274653003201288100001801320700001401338700001801352700001701370700002901387700002001416700002001436700001901456856012501475 2018 eng d a0926-860X00aEffect of alkali and alkaline earth metal on Co/CeO2 catalyst for the water gas shift reaction of waste derived synthesis gas0 aEffect of alkali and alkaline earth metal on CoCeO2 catalyst for cFEB  a63-700 v5513 a

We prepared a series of alkali (Na and K) and alkaline earth metal (Ca and Ba) promoted Co/CeO2 catalysts to investigate the effect of the promoter on the catalytic performance of the catalyst in the high-temperature water gas shift (WGS) reaction of waste derived synthesis gas. Interestingly, alkali metal promoted catalysts deactivated rapidly compared to alkaline earth metal promoted catalysts. Alkaline earth metal promoted catalysts showed relatively higher stability (>50 h) even at a very high gas hourly space velocity of 143,000 h(-1). X-ray diffraction (XRD) and transmission electron microscopy (TEM) results reveal that the higher stability of the alkaline earth metal promoted catalysts was due to the strong resistance to sintering, showing a relatively small crystallite size of metallic cobalt compared to the alkali metal promoted catalysts after WGS reaction.

10aAlkaline earth metal10aCo/CeO210aHigh temperature water-gas shift10aSintering resistance10astability10aWaste derived synthesis gas1 aLee, Yeol-Lim1 aJha, Ajay1 aJang, Won-Jun1 aShim, Jae-Oh1 aRode, Chandrashekhar, V.1 aJeon, Byong-Hun1 aBae, Jong, Wook1 aRoh, Hyun-Seog uhttps://library.ncl.res.in/content/effect-alkali-and-alkaline-earth-metal-coceo2-catalyst-water-gas-shift-reaction-waste01689nas a2200145 4500008004100000245009400041210006900135260000800204300001200212490000800224520115500232100002201387700002101409856011301430 2018 eng d00aEffect of support on the catalytic activity of WOx promoted Pt in green diesel production0 aEffect of support on the catalytic activity of WOx promoted Pt i cMAY a125-1340 v4513 aPlatinum and WOx-promoted platinum supported on SiO2-Al2O3, Al2O3, AlPO4-5 and ZrO2 catalysts were prepared by wet impregnation method and investigated for deoxygenation of oleic acid (OA, a representative fatty acid) producing diesel-range hydrocarbons. Support and WOx influenced the textural, electronic and catalytic properties of Pt. WOx promoted the deoxygenation activity through hydrodeoxygenation pathway. Structure-activity correlations revealed that metallicity of Pt and acidity of the catalyst are crucial in determining the catalytic performance and product selectivity. Among the catalysts tested, 4Pt-8WO(x)/ZrO2, having adequate metal dispersion and electron rich Pt (desired for hydrogen splitting), reduced WOx species (W5+;-desired for OA activation) and less amount of strong acid sites (desired to avoid hydrocracking) showed highest catalytic deoxygenation performance (OA conversion = 100 mol% and C18 hydrocarbon selectivity = 89.4% at 260 degrees C and 20 bar H-2 pressure). The study reveals that support plays a crucial role in determining the catalytic performance of platinum. (C) 2017 Elsevier B.V. All rights reserved.1 aJanampelli, Sagar1 aDarbha, Srinivas uhttps://library.ncl.res.in/content/effect-support-catalytic-activity-wox-promoted-pt-green-diesel-production01636nas a2200265 4500008004100000022001300041245010800054210006900162260000800231300001000239490000800249520077800257100001701035700001701052700001801069700002001087700001701107700001801124700001501142700002001157700002001177700002901197700001901226856012501245 2018 eng d a0920586100aEffect of titration time on the catalytic performance of Cu/CeO2 catalysts for water-gas shift reaction0 aEffect of titration time on the catalytic performance of CuCeO2  cJUL a83-880 v3093 aWe herein report the preparation of ceria (CeO2) via a simple precipitation method for use as a catalyst support in the water-gas shift (WGS) reaction. More specifically, we optimized the titration time required to obtain highly active CeO2-supported catalysts for the WGS reaction. As such, Cu was employed as the active metal coupled with the CeO2 support. Notably, the CeO2-0 supported Cu catalyst (where the precipitant was immediately injected into a cerium nitrate solution) exhibited the highest CO conversion at a gas hourly space velocity of 36,050 h(-1). This high catalytic activity of the Cu/CeO2-0 catalyst was mainly due to its high Brunauer-Emmett-Teller (BET) surface area, enhanced Cu dispersion, high number of oxygen vacancies, and enhanced reducibility.1 aNa, Hyun-Suk1 aShim, Jae-Oh1 aJang, Won-Jun1 aJeon, Kyung-Won1 aKim, Hak-Min1 aLee, Yeol-Lim1 aLee, Da-We1 aYoo, Seong-Yeun1 aBae, Jong, Wook1 aRode, Chandrashekhar, V.1 aRoh, Hyun-Seog uhttps://library.ncl.res.in/content/effect-titration-time-catalytic-performance-cuceo2-catalysts-water-gas-shift-reaction01870nas a2200145 4500008004100000245015300041210006900194260000800263300001400271490000600285520125600291100002301547700002501570856012901595 2018 eng d00aEfficient method for synthesis of 2,5-furandicarboxylic acid from 5-hydroxymethylfurfural and fructose using Pd/CC catalyst under aqueous conditions0 aEfficient method for synthesis of 25furandicarboxylic acid from  cMAY a5766-57710 v63 aPd/CC catalyst was synthesized from readily available biomass-derived D-glucose. The catalyst was characterized using various techniques such as Fourier transform infrared spectroscopy, powder X-ray diffraction, energy dispersive X-ray analysis, scanning electron microscopy, C-13 cross polarization NMR, transmission electron microscopy, X-ray photoelectron spectroscopy, and Brunauer-Emmett-Teller (BET) surface area analysis. This catalyst showed excellent catalytic activity toward the synthesis of industrially important 2,5-furandicarboxylic acid (FDCA) from 5-hydroxymethylfurfural (HMF) and fructose. The process is simple, efficient, green, and industrially feasible. Oxidation of HMF proceeded in 85% yield, and dehydration of fructose followed by oxidation gave 64% yield of FDCA with 100% purity using Pd/CC catalyst and molecular O-2 as an oxidizing agent under aqueous reaction conditions. The one pot two step procedure is highly efficient for synthesis of FDCA from fructose as it avoids isolation of HMF and requires a single catalyst for two different steps. FDCA finds utility in next-generation bioplastic poly(ethylene 2,5-furandicarboxylate) (PEF), which is a replacement for fossil-fuel-based poly(ethylene terephthalate) (PET).1 aRathod, Pramod, V.1 aJadhav, Vrushali, H. uhttps://library.ncl.res.in/content/efficient-method-synthesis-25-furandicarboxylic-acid-5-hydroxymethylfurfural-and-fructose01008nas a2200157 4500008004100000245015600041210006900197260000800266520033300274100002500607700001900632700001900651700002800670700002100698856013100719 2018 eng d00aEfforts to access the potent antitrypanosomal marine natural product janadolide: synthesis of des- tert -butyl janadolide and its biological evaluation0 aEfforts to access the potent antitrypanosomal marine natural pro cFEB3 aTo identify novel antitrypanosomal agents based on Janadolide, a potent macrocyclic polyketide–peptide hybrid, a macrolactonization strategy was explored. We prepared des-tert-butyl Janadolide and evaluated its antitrypanosomal activity. Our findings suggest that the tert-butyl group is necessary for the desired bioactivity.1 aAthawale, Paresh, R.1 aJachak, Gorakh1 aShukla, Anurag1 aShanmugam, Dhanasekaran1 aReddy, Srinivasa uhttps://library.ncl.res.in/content/efforts-access-potent-antitrypanosomal-marine-natural-product-janadolide-synthesis-des-tert02179nas a2200193 4500008004100000245011300041210006900154260000800223300001400231490000700245520148200252100002401734700002101758700002301779700001601802700002001818700002201838856012501860 2018 eng d00aElectrochemically synthesized faceted CuInTe2 nanorods as an electron source for field emission applications0 aElectrochemically synthesized faceted CuInTe2 nanorods as an ele cAPR a5284-52940 v423 aHerein, CuInTe2 (CIT) thin films with faceted nanorod-like morphology have been synthesized on a flexible molybdenum foil using a water-based low-cost electrodeposition technique. The co-deposition potential for CIT was optimized using cyclic voltammetry with respect to that of the Ag/AgCl reference electrode, and films were deposited from -0.6 V to -0.9 V at the working temperature of 75 degrees C. The as-prepared CIT films exhibited an amorphous nature, whereas the RTP-annealed films exhibited a highly crystalline chalcopyrite nature as a function of the growth potential. A red shift was observed in the Raman spectra of the as-deposited films that shifted towards the original position upon annealing. The Cu/In ratio obtained by the EDS analysis was found to decrease systematically upon increasing the growth potential. X-ray photoelectron spectroscopy (XPS) studies revealed the presence of Cu+, Cu2+ satellites, In3+, Te2-, and Te4+ states of Cu, In, and Te. The field emission study showed a maximum current density of 1.74 mA cm(-2), which was attainable at an applied electric field of 1.5 V mu m(-1). The turn-on field was found to be 0.92 V mu m(-1), comparable to that of the carbon nanofibres. The emitter exhibited stable electron emission over a period of 3 hours. The faceted CIT nanorods with columnar growth are a potential candidate for application as an electron source, and herein, the field emission of CIT nanorods is reported for the first time.1 aLakhe, Manorama, G.1 aJoshi, Padmshree1 aChoudhary, Ram, J.1 aGanesan, V.1 aJoag, Dilip, S.1 aChaure, Nandu, B. uhttps://library.ncl.res.in/content/electrochemically-synthesized-faceted-cuinte2-nanorods-electron-source-field-emission02709nas a2200181 4500008004100000022001500041245009300056210006900149260000800218300001200226490000800238520206600246100001902312700002402331700002202355700002802377856012202405 2018 eng d a 0301-479700aElucidating efficacy of biomass derived nanocomposites in water and wastewater treatment0 aElucidating efficacy of biomass derived nanocomposites in water  cNOV a 95-1050 v2263 aIn the present study, two synthesis methods of nanocomposites-one involving a mixture of biomass and the other using chemical modification were investigated to evaluate practical application of green approach in pollution control, specifically for water and wastewater treatment. Newer multifunctional superparamagnetic nanocomposites using biomaterials such as unripened fruit of Cassia fistula (Golden shower) and Aloe vera were developed as an example of green approach while chemical modification was illustrated using n-octanol. Two specific model applications were studied for the developed materials-dye removal (Methyl Blue and Congo Red) and disinfection-demonstrating antimicrobial property. To elucidate the multifunctional character, the texture, morphology and composition of the prepared bionanocomposites were studied. The surface area values were 6.2 and 9.8 m(2)/g for Aloe vera and octanol based nanocomposites while the average pore diameters were 1.79 nm and 5.7 nm respectively, indicating presence of highly developed micropores in the first material having a honeycomb shape and the later showing excellent staircase type formation with larger pores. A very high dye removal to the extent of 100% was obtained that can be attributed largely to the functionalities imparted from Cassia fistula compared to ingredients from Aloe vera and octanol. The nanomaterials could be completely separated with absolute ease by applying simple magnetic field. Also, successful application of the developed materials in disinfection, removal of E. coif, was demonstrated with a very high efficiency of over 95%. The biomass derived nanocomposites exhibit excellent pollutant removal and disinfection properties, even at very low nanoparticle content; octanol based material indicating similar to 5 times lowered cost, while the Aloe vera based bionanocomposites have potential for cost reduction to the extent of 10 times as compared to only magnetite nanoparticles, thereby highlighting techno-economical alternative in water and wastewater treatment.1 aKirti, Saumaya1 aBhandari, Vinay, M.1 aJena, Jyotsnarani1 aBhattacharyya, Arnab, S uhttps://library.ncl.res.in/content/elucidating-efficacy-biomass-derived-nanocomposites-water-and-wastewater-treatment01452nas a2200157 4500008004100000022001400041245008000055210006900135260000800204300001200212490000800224520091100232100002301143700001601166856011201182 2018 eng d a0304-885300aEnhanced strain sensitivity in magnetostrictive spinel ferrite Co1-xZnxFe2O0 aEnhanced strain sensitivity in magnetostrictive spinel ferrite C cFEB a150-1540 v4473 a

We report the magnetic and magnetoelastic properties of spinel oxide system Co1-xZnxFe2O4 (CZF series) where x = 0.0, 0.1, 0.2, 0.3, 0.4, and 0.5. All the composition were prepared by conventional solid state synthesis method and exhibited pure spinel phase formation. The lattice parameters showed gradual increase indicating uniform distribution Zn ions in cobalt ferrite lattice. The magnetic properties such as saturation magnetization and coercive field were drastically affected with Zn substitution showing enhanced saturation magnetization and a sharp decrease in the coercivity. The room temperature magnetostrictive properties showed a promising 30% enhancement in the slope of magnetostriction curve for x = 0.2 composition and a reasonable magnetostrictive strain of 110 ppm indicating its suitability as a promising magnetostrictive material. (c) 2017 Elsevier B.V. All rights reserved.

1 aBhame, Shekhar, D.1 aJoy, P., A. uhttps://library.ncl.res.in/content/enhanced-strain-sensitivity-magnetostrictive-spinel-ferrite-co1-xznxfe2o01344nas a2200145 4500008004100000245008900041210006900130260000800199300001600207490000700223520081700230100001701047700001601064856011801080 2018 eng d00aEnthalpic interactions in aqueous strong electrolytes upon addition of ionic liquids0 aEnthalpic interactions in aqueous strong electrolytes upon addit cAPR a11089-110990 v203 aThe present study deals with the inter-ionic interactions between strong electrolytes and ionic liquids based on the thermodynamic properties such as excess partial molar enthalpy, H-IL(E), relative apparent molar enthalpy, phi(L), and the enthalpic interaction parameters. The thermodynamic properties of the systems are the key indicators to understand the interionic interactions. We have conducted a systematic investigation of the enthalpic behavior of aqueous solution of salts and ionic liquids and their mixtures. The present study also emphasizes how the H-IL(E) values for the mixture of aqueous solution of ionic liquids and salts deviate from linearity as compared to those of the constituent aqueous ionic liquid or salt. This deviation from linearity for the H-IL(E) values has been discussed here.1 aJain, Preeti1 aKumar, Anil uhttps://library.ncl.res.in/content/enthalpic-interactions-aqueous-strong-electrolytes-upon-addition-ionic-liquids02353nas a2200229 4500008004100000022001400041245006200055210006200117260000800179300001400187490000700201520163500208653002501843653002501868653000801893653002401901100003101925700002201956700002501978700002602003856009402029 2018 eng d a1877-264100aEnvironmental impact study of bagasse valorization routes0 aEnvironmental impact study of bagasse valorization routes cJAN a2067-20780 v103 aIndia is the world’s second largest sugarcane producer and a major manufacturer of molasses-derived ethanol. The sugarcane produced is widely used in the production of sugar and 1G ethanol. Though sugar and 1G ethanol are the major concerns, there is still a huge amount of bagasse waste generated in the sugar factories. This bagasse has also some end use value, as it can be utilized for production of methanol, 2G ethanol and electricity. Even though the technology for production of these value added products is well established, it is important to analyze the social, economical and environmental impacts associated with these production processes. This work compares the environmental impacts of various sugarcane conversion processes on life cycle basis. The functional unit used is one tonne of sugarcane cultivated in field. Four routes identified for bagasse conversion- conversion of bagasse to methanol (Route 1), conversion of bagasse to ethanol via 2 stage dilute acid process (Route 2), conversion of bagasse to ethanol via enzymatic process (Route 3) and electricity production from bagasse (Route 4). On comparison of these routes on midpoint indicators such as global warming potential (GWP), acidification potential (AP), eutrophication potential (EP) and ozone depletion potential (ODP) and photochemical ozone creation potential (POCP), it is observed that the methanol production is having the highest environmental indicator values. Even though ethanol production processes and cogeneration process are having nearly similar results, it can be said that cogeneration process is the more eco-friendly one.10aBagasse valorization10aEnvironmental impact10aLCA10aMidpoint indicators1 aMandavgane, Sachin, Arvind1 aJoglekar, Saurabh1 aTandulje, Akshay, P.1 aKulkarni, Bhaskar, D. uhttps://library.ncl.res.in/content/environmental-impact-study-bagasse-valorization-routes01783nas a2200241 4500008004100000022001500041245006600056210006500122260000800187300001400195490000700209520104800216100002501264700001901289700002101308700002001329700001801349700001801367700002401385700001801409700001901427856009501446 2018 eng d a 1530-437X00aEvaluation of humidity sensor based on PVP-RGO nanocomposites0 aEvaluation of humidity sensor based on PVPRGO nanocomposites cNOV a9097-91040 v183 a

his paper describes the humidity sensing properties of one step in situ synthesized poly (N-vinyl pyrrolidone)- reduced graphene oxide (PVP-RGO) nanocomposites. Different PVP-RGO nanocomposites were obtained by varying PVP/GO weight %ratio as x/50 mg, wherein x = 25, 50, and 75 mg, respectively. The real-time adsorption kinetics of the water molecules during the humidity sensing were also discussed using Elovich model, pseudo first and second order equations. The increase in humidity response of 1.5 PVP-RGO nanocomposite is attributed to the presence of large amount of oxygen functionalities. The above observation was corroborated using spectroscopic analysis. The optimized PVP-RGO nanocomposite showed faster response kinetics with response and recovery times of 10 and 20 s, respectively. The present humidity sensor shows remarkable linearity over the range of 20-90%RH. More specifically, sensitivity was correlated with oxygen functionalities created due to variation of PVP during the functionalization of RGO nanosheets.

1 aBhangare, Bhagyashri1 aJagtap, Shweta1 aRamgir, Niranjan1 aWaichal, Rupali1 aMuthe, K., P.1 aGupta, S., K.1 aGadkari, Sanjay, C.1 aAswal, D., K.1 aGosavi, Suresh uhttps://library.ncl.res.in/content/evaluation-humidity-sensor-based-pvp-rgo-nanocomposites02202nas a2200181 4500008004100000245015100041210006900192260000800261300001200269490000700281520147800288100001901766700002401785700002201809700003201831700002901863856012801892 2018 eng d00aExploiting functionalities of biomass in nanocomposite development: application in dye removal and disinfection along with process intensification0 aExploiting functionalities of biomass in nanocomposite developme cJUL a981-9940 v203 aA green synthesis of multifunctional superparamagnetic nanocomposites using the whole unripened fruit of Cassia fistula (Golden shower) with potential for removal of both cationic and anionic dyes and antimicrobial property is reported for the first time in the present work. A natural medium in the form of clarified butter was used to enhance the multifunctional character. The surface morphology, textural characteristics and composition of the prepared nanoparticles and composites were studied to understand the multifunctional nature. The dye removal was investigated for four different dyes, namely methyl blue, Congo red, rhodamine-B and auramine. Iron nanoparticles were largely effective in the removal of acidic dyes, while the magnetic nanocomposites were effective for the removal of both acidic and basic dyes which can be attributed to the functionalities imparted from Cassia fistula and clarified butter. The dye removal behavior can be significantly enhanced (similar to 50%) using process intensification-adsorption coupled with acoustic cavitation, which also indicated a reduced adsorbent loading as compared to the conventional adsorptive dye removal. The nanomaterials were completely separated from dye solution with absolute ease of separation by applying simple magnetic field. Also, the developed materials were useful in disinfection of E. coli with a high efficiency of 90% confirming significant antimicrobial property at lower concentrations.1 aKirti, Saumaya1 aBhandari, Vinay, M.1 aJena, Jyotsnarani1 aSorokhaibam, Laxmi, Gayatri1 aBhattacharyya, Arnab, S. uhttps://library.ncl.res.in/content/exploiting-functionalities-biomass-nanocomposite-development-application-dye-removal-and01587nas a2200205 4500008004100000245012700041210006900168260000800237300001200245490000700257520081800264100003001082700002401112700002201136700002601158700002301184700002101207700002601228856012701254 2018 eng d00aFacile and solvent-free domino synthesis of new quinolidinyl-2,4-thiazolidinones: antifungal activityand molecular docking0 aFacile and solventfree domino synthesis of new quinolidinyl24thi cJAN a622-6300 v183 aObjective: We have synthesized new quinolidinyl-thiazolidinones via Knoevenagel condensation-alkylation reaction, catalyzed by [Et3NH][HSO4]. The present approach offers several advantages such as higher yields, eco-friendly reaction condition and economic availability of the catalyst. Method: The newly synthesized compounds were evaluated for their in vitro antifungal activity against six fungal strains. Some of the synthesized conjugates displayed good to moderate antifungal activity. Conclusion: Again, the molecular docking study performed against the fungal sterol 14 alpha-demethylase (CYP51) showed an excellent binding affinity towards the enzyme which could rationalize the promising antifungal activity portrayed by these derivatives and provides a platform for structure based drug design.1 aSubhedar, Dnyaneshwar, D.1 aShaikh, Mubarak, H.1 aTupe, Santosh, G.1 aDeshpande, Mukund, V.1 aKhedkar, Vijay, M.1 aJha, Prakash, C.1 aShingate, Bapurao, B. uhttps://library.ncl.res.in/content/facile-and-solvent-free-domino-synthesis-new-quinolidinyl-24-thiazolidinones-antifungal01906nas a2200169 4500008004100000245015700041210006900198260000900267300001000276490000600286520124900292100001301541700002001554700001701574700002101591856012401612 2018 eng d00aFlexible and free-standing reduced graphene oxide thick films with PMMA stabilized silver nanoparticles, as a potential probe for cancer thermal therapy0 aFlexible and freestanding reduced graphene oxide thick films wit cOCT  a650320 v43 ahermal therapy is an efficient, cost-effective method for treating different types of cancers and hence flexible, light weight, biocompatible heating materials with low power consumption are of utmost importance. Partially reduced flexible, robust and bio-compatible thick graphene oxide films with, mostly edge functionalized Polymethyl methacrylate (PMMA) and in situ grown silver nanoparticles were prepared using simple soak and dry strategy. Larger distribution of silver nanoparticles with a mean diameter of 2.5 nm were anchored towards the edges of these thick films. The electrothermal (Joule heating) performance were found to increase in the presence of silver nanoparticles due to decrease in sheet resistance (0.33 × 104 Ωm) and increase in electron-phonon interaction. These free-standing, flexible films exhibited stable Joule heating behavior under repeated voltage on/off cycles. In-vitro studies performed on breast cancer cells in the presence of the prepared films, with an external applied voltage of 10 VDC, shows 67% cell death. This work proves the potentiality of thick heterogeneous (partially) reduced graphene oxide films towards site specific destruction of solid tumors by utilizing its Joule heating properties.1 aAsha, S.1 aAnanth, Nimrodh1 aJose, S., P.1 aRajan, M., A. J. uhttps://library.ncl.res.in/content/flexible-and-free-standing-reduced-graphene-oxide-thick-films-pmma-stabilized-silver01889nas a2200229 4500008004100000245010700041210006900148260000800217300001000225490000800235520107000243100002801313700002201341700002101363700001501384700002901399700002601428700002201454700002601476700003101502856012601533 2018 eng d00a Functionalized carbon nanotube reinforced polymer nanocomposite microcapsules with enhanced stiffness0 aFunctionalized carbon nanotube reinforced polymer nanocomposite  cAUG a82-890 v5503 aMicrocapsules with tunable mechanical properties are highly desirable in pressure sensitive applications. We report here a facile approach to prepare polyurea/multiwall carbon nanotube (MWCNTs) nanocomposite microcapsules (MICs) with enhanced stiffness. A model compound dimethyl phthalate (DMP) was used as core material. MWCNTs were modified with reactive functional groups namely carboxyl (-COOH), amines (-NH2), and isocyanates (-NCO) to ensure a stronger interface between polymer wall and MWCNTs. Functionalization of MWCNTs was corroborated by Fourier transformed infrared spectroscopy (FTIR). Scanning electron microscopy (SEM) was employed to study the surface morphology of MICs. The presence of MWCNTs in the microcapsule wall was confirmed by transmission electron microscopy (TEM). MICs with functionalized MWCNTs show almost 100% increase in stiffness with respect to pristine capsules. All MICs show 92-97 +/- 1% encapsulation efficiency. The approach used in this paper can be broadly utilized to tune the mechanical properties of the microcapsules.1 aJagtap, Siddheshwar, B.1 aPatil, Vishal, D.1 aSuresh, Karthika1 aRam, Farsa1 aMohan, Muthu, Subramania1 aRajput, Shatruhan, S.1 aPatil, Shivprasad1 aShukla, Parshuram, G.1 aShanmuganathan, Kadhiravan uhttps://library.ncl.res.in/content/functionalized-carbon-nanotube-reinforced-polymer-nanocomposite-microcapsules-enhanced02986nas a2200265 4500008004100000022001400041245019100055210006900246260000800315300001400323490000700337520201800344653002302362653001702385653002702402653001202429653002602441653001902467100002302486700001702509700002102526700002402547700002102571856012802592 2018 eng d a1438-793X00aGA3 application in grapes (Vitis vinifera L.) modulates different sets of genes at cluster emergence, full bloom, and berry stage as revealed by RNA sequence-based transcriptome analysis0 aGA3 application in grapes Vitis vinifera L modulates different s cJUL a439–4550 v183 aIn grapes (Vitis vinifera L.), exogenous gibberellic acid (GA3) is applied at different stages of bunch development to achieve desirable bunch shape and berry size in seedless grapes used for table purpose. RNA sequence-based transcriptome analysis was used to understand the mechanism of GA3 action at cluster emergence, full bloom, and berry stage in table grape variety Thompson Seedless. At cluster emergence, rachis samples were collected at 6 and 24 h after application of GA3, whereas flower clusters and berry samples were collected at 6, 24, and 48 h after application at full bloom and 3–4 mm berry stages. Seven hundred thirty-three genes were differentially expressed in GA3-treated samples. At rachis and flower cluster stage respectively, 126 and 264 genes were found to be significantly differentially expressed within 6 h of GA3 application. The number of DEG reduced considerably at 24 h. However, at berry stage, major changes occurred even at 24 h and a number of DEGs at 6 and 24 h were 174 and 191, respectively. As compared to upregulated genes, larger numbers of genes were downregulated. Stage-specific response to the GA3 application was observed as evident from the unique set of DEGs at each stage and only a few common genes among three stages. Among the DEGs, 67 were transcription factors. Functional categorization and enrichment analysis revealed that several transcripts involved in sucrose and hexose metabolism, hormone and secondary metabolism, and abiotic and biotic stimuli were enriched in response to application of GA3. A high correlation was recorded for real-time PCR and transcriptome data for selected DEGs, thus indicating the robustness of transcriptome data obtained in this study for understanding the GA3 response at different stages of berry development in grape. Chromosomal localization of DEGs and identification of polymorphic microsatellite markers in selected genes have potential for their use in breeding for varieties with improved bunch architecture.10aBunch architecture10aGA3 response10aMicrosatellite markers10aRNA seq10aTranscription factors10aVitis vinifera1 aUpadhyay, Anuradha1 aMaske, Smita1 aJogaiah, Satisha1 aKadoo, Narendra, Y.1 aGupta, Vidya, S. uhttps://library.ncl.res.in/content/ga3-application-grapes-vitis-vinifera-l-modulates-different-sets-genes-cluster-emergence02890nas a2200265 4500008004100000022001400041245017300055210006900228260000800297300001000305490000800315520189700323100001902220700002902239700002402268700001902292700002802311700003102339700002702370700003402397700002102431700002602452700001702478856012902495 2018 eng d a0031-942200aGenetic and phytochemical investigations for understanding population variability of the medicinally important tree Saraca asoca to help develop conservation strategies0 aGenetic and phytochemical investigations for understanding popul cDEC a43-540 v1563 aSaraca asoca (Roxb.) De Wilde (Caesalpiniaceae) is a highly traded IUCN red listed tree species used in Ayurvedic medicines for the treatment of various disorders, especially gynaecological problems. However, information about the genetic variations between populations and corresponding variation in specialized metabolites of S. asoca remains unclear. To address this issue, we analysed 11 populations of S. asoca with 106 accessions collected from Western Ghats of India using ISSR markers along with selected phytocompounds using RP-HPLC. Twenty primers were screened, out of which seven were selected for further analysis based on generation of clear polymorphic banding patterns. These seven ISSR primers produced 74 polymorphic loci. AMOVA showed 43% genetic variation within populations and 57% among the populations of S. asoca. To estimate the genetic relationships among S. asoca populations, UPGMA and Bayesian Models were constructed, which revealed two clusters of similar grouping patterns. However, excluding minor deviations, UPGMA and dissimilarity analysis showed close association of genotypes according to their geographical locations. Catechin (CAT), epicatechin (EPI) and gallic acid (GA) were quantified from bark and leaf samples of corresponding genotypes collected from 106 accessions. ROC plots depicted the sensitivity and specificity of the concentrations of tested phytocompounds at various cut-off points. Although, multiple logistic regression analysis predicted some association between few loci with GA, EPI and CAT, but PCA for phytochemical data failed to distinguish the populations. Overall, there were no significant trends observed to distinguish the populations based on these phytocompounds. Furthermore, the study advocates the delineate provenance regions of S. asoca genotypes/chemotype snapshots for in-situ conservation and ex-situ cultivation.1 aHegde, Satisha1 aPai, Sandeep, Ramchandra1 aBhagwat, Rasika, M.1 aSaini, Archana1 aRathore, Poonam, Kanwar1 aJalalpure, Sunil, Satyappa1 aHegde, Harsha, Vasudev1 aSugunan, Attayoor, Purushotta1 aGupta, Vidya, S.1 aKholkute, Sanjiva, D.1 aRoy, Subarna uhttps://library.ncl.res.in/content/genetic-and-phytochemical-investigations-understanding-population-variability-medicinally02707nas a2200205 4500008004100000245019500041210006900236260000800305300001200313490000800325520187900333100002302212700001902235700002602254700002102280700002402301700002002325700002702345856012902372 2018 eng d00aGlobal transcriptome analysis of grapevine ( Vitis vinifera L.) leaves under salt stress reveals differential response at early and late stages of stress in table grape cv. Thompson Seedless0 aGlobal transcriptome analysis of grapevine Vitis vinifera L leav cMAY a168-1790 v1293 aAmong the different abiotic stresses, salt stress has a significant effect on the growth and yield of grapevine (Vitis vinifera L.). In this study, we employed RNA sequence based transcriptome analysis to study salinity stress response in grape variety Thompson Seedless. Salt stress adversely affected the growth related and physiological parameters and the effect on physiological parameters was significant within 10 days of stress imposition. A total of 343 genes were differentially expressed in response to salt stress. Among the differentially expressed genes (DEGs) only 42 genes were common at early and late stages of stress. The gene enrichment analysis revealed that GO terms related to transcription factors were over-represented. Among the DEGs, 52 were transcription factors belonging to WRKY, EREB, MYB, NAC and bHLH families. Salt stress significantly affected several pathways like metabolic pathways, biosynthesis of secondary metabolites, membrane transport development related pathways etc. 343 DEGs were distributed on all the 19 chromosomes, however clustered regions of DEGs were present on chromosomes 2, 5, 6 and 12 suggesting probable QTLs for imparting tolerance to salt and other abiotic stresses. Real-time PCR of selected genes in control and treated samples of grafted and own root vines demonstrated that rootstock influenced expression of salt stress responsive genes. Microsatellite regions were identified in ten selected salt responsive genes and highly polymorphic markers were identified using fifteen grape genotypes. This information will be useful for the identification of key genes involved in salt stress tolerance in grape. The identified DEGs could also be useful for genome wide analysis for the identification of polymorphic markers for their subsequent use in molecular breeding for developing salt tolerant grape genotypes.1 aUpadhyay, Anuradha1 aGaonkar, Tulsi1 aUpadhyay, Ajay, Kumar1 aJogaiah, Satisha1 aShinde, Manisha, P.1 aKadoo, Narendra1 aGupta, Vidya, Shrikant uhttps://library.ncl.res.in/content/global-transcriptome-analysis-grapevine-vitis-vinifera-l-leaves-under-salt-stress-reveals02312nas 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-and01679nas a2200169 4500008004100000245014000041210006900181260000800250300001200258490000800270520102900278100001701307700001901324700001801343700002001361856012801381 2018 eng d00aIn situ phase transformation synthesis of unique Janus Ag2O/Ag2CO3 heterojunction photocatalyst with improved photocatalytic properties0 aIn situ phase transformation synthesis of unique Janus Ag2OAg2CO cJUL a555-5620 v4453 aHerein, Ag2O/Ag2CO3 nanocomposite with unique Janus morphology was synthesized by a facile ion-exchange followed by an in situ phase transformation method with precise control of its nucleation and growth processes. Contrary to conventional synthetic procedures of Janus architectures, the present Janus system was constructed without the need for surfactants or toxic chemicals. Most importantly, the visible-light-absorbing Janus Ag2O/Ag2CO3 nanocomposite exhibits a remarkable performance toward the degradation of Rhodamine B and 4-chlorophenol, far superior to that observed for bare Ag2CO3. The obvious enhancement of the photocatalytic performance of this nanocomposite is mainly attributed to the intimate Ag2O/Ag2CO3 interface created by its exceptional Janus architecture, which in turn allows for rapid charge transfer processes. Additionally, the Janus system exhibited a high photostability during recycling experiments with no significant change in the degradation activity. (C) 2018 Published by Elsevier B.V.1 aJo, Wan-Kuen1 aKumar, Santosh1 aYadav, Poonam1 aTonda, Surendar uhttps://library.ncl.res.in/content/situ-phase-transformation-synthesis-unique-janus-ag2oag2co3-heterojunction-photocatalyst02050nas a2200181 4500008004100000022001500041245012300056210006900179260000800248300001200256490000800268520138600276100002101662700001701683700001801700700001801718856013201736 2018 eng d a 0926-669000a In vitro propagation of Digitalis lanata Ehrh. through direct shoot regeneration - A source of cardiotonic glycosides0 aIn vitro propagation of Digitalis lanata Ehrh through direct sho cOCT a313-3190 v1213 a

An efficient method for the in vitro propagation of Digitalis lanata Ehrh. through direct organogenesis from leaf and petiole explants has been standardised. MS basal medium supplemented with cytokinins BAP, KIN, TDZ either alone or along with auxins IAA and NAA at different concentrations were tried. TDZ at 4.54 and 6.81 μmol/l were optimum for direct regeneration of shoots from leaf (4.4 ± 0.6 shoots/explant), and petiole (3.0 ± 0.8 shoots/explant) explants respectively. Among the various concentrations of auxins IAA, IBA and NAA tried for rooting, the best response occurred on MS basal medium supplemented with 17.13 μmol/l IAA. On greenhouse transfer about 60% of the plantlets survived. In vitro raised plantlets were morphologically similar to mother plants. Cardiotonic glycosides digoxin and digitoxin were extracted by modified methods and estimated by HPLC. There were no significant differences in digoxin and digitoxin content in leaves of naturally grown and in vitro raised plants. The method for in vitro propagation of D. lanata through direct organogenesis from leaf and petiole explants reported here will be of great use for the rapid and large scale clonal propagation, production of biomass for extraction of cardiotonic glycosides, ex situ conservation, and improvement through conventional plant breeding and transgenic methods.

1 aBhusare, Bhushan1 aJohn, C., K.1 aBhatt, V., P.1 aNikam, T., D. uhttps://library.ncl.res.in/content/vitro-propagation-digitalis-lanata-ehrh-through-direct-shoot-regeneration-source-cardiotonic01531nas a2200145 4500008004100000245005500041210005400096260000800150300001200158490000900170520107500179100002101254700002001275856009001295 2018 eng d00aIntegrated host-pathogen metabolic reconstructions0 aIntegrated hostpathogen metabolic reconstructions cJAN a197-2170 v17163 aThe science and art of Genome scale metabolic network reconstructions have been explicitly documented in the literature for organisms across all the three kingdoms of life. Constraints-based models derived from such reconstructions have been used to assess metabolic phenotypes of their complex connections to genotype accurately. The problem of infectious disease is complex due to the multifactorial response of the host to the pathogen. Systems biology approaches and modeling allow one to study, understand, and predict emergent properties of such complex responses. The integration of the host and pathogen metabolic networks and the subsequent merger of their stoichiometric matrices is nontrivial and requires understanding of both pathogen and host metabolism and physiologies. The protocol here describes the detailed process of network and stoichiometric matrix merger using a salmonella-mouse macrophage model. The protocol also discusses the interfacial and objective functions required to actually embark on the analysis of host-pathogen interaction models.1 aRaghunathan, Anu1 aJamshidi, Neema uhttps://library.ncl.res.in/content/integrated-host-pathogen-metabolic-reconstructions01542nas a2200217 4500008004100000245012100041210006900162260000800231300001400239490000600253520079700259100001601056700002101072700002301093700001601116700001701132700001501149700001801164700001901182856012301201 2018 eng d00aInterconverting hydrogen-bonding and weak n -> pi* interactions in aqueous solution: A direct spectroscopic evidence0 aInterconverting hydrogenbonding and weak n pi interactions in aq cSEP a5425-54290 v93 a

Molecular structure and function depend on myriad noncovalent interactions. However, the weak and transient nature of noncovalent interactions in solution makes them challenging to study. Information on weak interactions is typically derived from theory and indirect structural data. Solvent fluctuations, not revealed by structure analysis, further complicate the study of these interactions. Using 2D infrared spectroscopy, we show that the strong hydrogen bond and the weak n -> pi* interaction coexist and interconvert in aqueous solution. We found that the kinetics of these interconverting interactions becomes faster with increasing water content. This experimental observation provides a new perspective on the existence of weak noncovalent interactions in aqueous solution.

1 aDeb, Pranab1 aJin, Geun, Young1 aSingh, Santosh, K.1 aMoon, Juran1 aKwon, Hyejin1 aDas, Aloke1 aBagchi, Sayan1 aKim, Yung, Sam uhttps://library.ncl.res.in/content/interconverting-hydrogen-bonding-and-weak-n-pi-interactions-aqueous-solution-direct01293nas a2200157 4500008004100000245016100041210006900202260000800271300001400279490000700293520064000300100002100940700002100961700002100982856013201003 2018 eng d00aIsobaric vapor-liquid equilibrium data for binary systems of anisole with methyl acetate, ethyl acetate, n-propyl acetate, and isopropyl acetate at 93.9 kPa0 aIsobaric vaporliquid equilibrium data for binary systems of anis cMAY a1761-17660 v633 aThe present work reports experimental isobaric vapor-liquid equilibrium data at 93.9 kPa pressure using a dynamic recirculation still for four binary pairs of acetates with anisole. The suitability of the experimental data for modeling was established by performing the Herington area test, Van Ness test, and mean absolute deviation test. Binary interaction parameters necessary for process modeling were derived through the regression of the VLE data for Wilson, NRTL, and UNIQUAC activity coefficient models with a suitable objective function. VLE data in the form of T-x, y plots indicates no formation of azeotropes for all pairs.1 aBhoi, Bharat, R.1 aMali, Nilesh, A.1 aJoshi, Sunil, S. uhttps://library.ncl.res.in/content/isobaric-vapor-liquid-equilibrium-data-binary-systems-anisole-methyl-acetate-ethyl-acetate-n02172nas a2200181 4500008004100000022001400041245009300055210006900148260000800217300001500225490000600240520153500246100002401781700002801805700002501833700002201858856011001880 2018 eng d a2044-475300a KLTL-MCM-41 micro-mesoporous composite as a solid base for the hydrogenation of sugars 0 aKLTLMCM41 micromesoporous composite as a solid base for the hydr cDEC a 6429-64400 v83 aAn approach to the synthesis of KLTL-MCM-41 micro-mesoporous composites of varying SiO2/Al2O3 molar ratio (20-8) was designed by following green technology. The synthesis was based on the recycling of waste mother liquor containing preformed KLTL zeolite crystals and unutilized reagents. The micro-mesoporous composites consist of KLTL zeolite crystals preformed through hydrothermal treatment in the first step. In the second step, the siliceous mother liquor was transformed into mesoporous MCM-41. The physico-chemical properties of the KLTL-MCM-41 micro-mesoporous composites were determined by PXRD, ICP-OES, FTIR, CO2-TPD, Al-27 MAS-NMR, TEM-EDX, HRTEM, and N-2 adsorption-desorption measurements. The mesopores properties of the KLTL-MCM-41 composites depended on the SiO2/Al2O3 molar ratio. The characterization results led to the following conclusions with decreasing SiO2/Al2O3 molar ratio: 1) decreasing order of the mesophase, 2) decreasing wall thickness of the mesopores, and 3) decreasing BET surface area and pore volume. Al-27 MAS-NMR spectra showed that only tetrahedrally coordinated aluminium was contained in zeolite KLTL. Moreover, the total amount and the strength of the basic sites of the KLTL-MCM-41 micro-mesoporous composites owing to the exchangeable potassium content (Al/K ratio approximate to 1) decreased in the order: 8 MMC > 10 MMC > 15 MMC > 20 MMC. The catalytic activity of the synthesized micro-mesoporous samples as a solid base was tested for the hydrogenation of xylose to sugar alcohols1 aTangale, Nilesh, P.1 aNiphadkar, Prashant, S.1 aJoshi, Praphulla, N.1 aDhepe, Paresh, L. uhttps://library.ncl.res.in/content/kltl-mcm-41-micro-mesoporous-composite-solid-base-hydrogenation-sugars01162nas a2200193 4500008004100000245007600041210006900117260000800186300001400194490000700208520049700215100002300712700001900735700001500754700002400769700003000793700003700823856010800860 2018 eng d00aLipase catalyzed synthesis of antimicrobial andrographolide derivatives0 aLipase catalyzed synthesis of antimicrobial andrographolide deri cJUN a1134-11410 v183 aIn this data article we describe screening of various lipases for the regioselective acylation of Andrographolide. Each lipase was screened with seven acyl donors. Amano lipase AK from Pseudomonas fluorescens was used for the synthesis of two new acylated andrographolide derivatives. Two new compounds, andrographolide-14-propionate and andrographolide-14-caproate were characterized by various spectral studies. These two derivatives showed more antimicrobial activity than andrographolide.1 aPatil, Harshal, S.1 aJadhav, Dipesh1 aPaul, Ajay1 aMulani, Fayaj, Alam1 aKaregaonkar, Shrikant, J.1 aThulasiram, Hirekodathakallu, V. uhttps://library.ncl.res.in/content/lipase-catalyzed-synthesis-antimicrobial-andrographolide-derivatives01651nas a2200193 4500008004100000245012700041210006900168260000800237300002700245490000700272520093700279100001901216700001801235700001901253700001901272700001601291700002501307856012501332 2018 eng d00aMagnetically tunable liquid dielectric with giant dielectric permittivity based on core-shell superparamagnetic iron oxide0 aMagnetically tunable liquid dielectric with giant dielectric per cJUL aArticle Number: 2657070 v293 aA liquid dielectric based on a core-shell architecture having a superparamagnetic iron oxide core and a shell of silicon dioxide was synthesized. The frequency dependence of dielectric properties was evaluated for different concentrations of iron oxide. The dependence of magnetic field on the dielectric properties was also studied. Aqueous ferrofluid exhibited a giant dielectric constant of 6.4 x 10(5) at 0.1 MHz at a concentration of 0.2 vol% and the loss tangent was 3. The large rise in dielectric constant at room temperature is modelled and explained using percolation theory and Maxwell-Wagner-Sillars type polarization. The ferrofluid is presumed to consist of nanocapacitor networks which are wired in series along the lateral direction and parallel along longitudinal direction. On the application of an external magnetic field, the chain formation and its alignment results in the variation of dielectric permittivity.1 aVinayasree, S.1 aNitha, T., S.1 aTiwary, C., S.1 aAjayan, P., M.1 aJoy, P., A.1 aAnantharaman, M., R. uhttps://library.ncl.res.in/content/magnetically-tunable-liquid-dielectric-giant-dielectric-permittivity-based-core-shell02604nas a2200193 4500008004100000022001400041245014700055210006900202260000800271300001200279490000600291520187200297100002402169700002402193700002402217700001702241700002402258856012802282 2018 eng d a2398-490200aMechanical activation in reduced graphite oxide/boron nitride nanocomposite electrocatalysts for significant improvement in dioxygen reduction0 aMechanical activation in reduced graphite oxideboron nitride nan cJAN a252-2610 v23 a

A nanocomposite of reduced graphite oxide (rGO) with hexagonal boron nitride (h-BN) is prepared using a simple hydrothermal method. Significant enhancement in the surface area of the composite is mainly due to the pre-mechanical activation of pristine GO. The structural and morphological study reveals the formation of a homogeneous nanocomposite and masking of rGO sheets over micron sized h-BN particles respectively. Interestingly, the as-synthesized GOBN2-BM composite (nanocomposite of 2 wt% h-BN with mechanically activated GO) catalyst exhibits significant oxygen electroreduction kinetics in terms of onset potential (E-onset = 0.89 V), half-wave potential (E-1/2 = 0.74 V) and limiting current density (J(L) = 4.4 mA cm(-2)) with a single step similar to 4-electron transfer pathway in alkaline medium. Though the composite catalysts exhibit higher overpotential (110 mV) than state-of-the-art Pt/C catalysts, they are much superior to previously reported carbon or h-BN based nanocomposite electrocatalysts. Importantly, the GOBN2-BM nanocomposite shows excellent tolerance towards both methanol oxidation and CO poisoning. Moreover, the nanocomposite catalysts show substantially higher stability than Pt/C catalysts even after 5000 cycles under similar conditions. Additionally, they show a better relative current stability (95% retention) than that of a Pt/C catalyst, signifying immense selectivity and durability towards oxygen electroreduction kinetics. The electrocatalytic oxygen reduction activity of the nanocomposite is mainly attributed to the high surface area (thanks to mechanical activation of GO, leading to increased pore distribution) as well as the synergistic mechanism between the h-BN and carbon network of rGO. Hence, it could be a potential cathode catalyst to replace precious-metal based catalysts in alkaline fuel cells.

1 aPatil, Indrajit, M.1 aJijil, Chamundi, P.1 aLokanathan, Moorthi1 aSwami, Anita1 aKakade, Bhalchandra uhttps://library.ncl.res.in/content/mechanical-activation-reduced-graphite-oxideboron-nitride-nanocomposite-electrocatalysts02240nas a2200205 4500008004100000022001400041245009000055210006900145260000800214300001400222490000700236520155700243100002401800700001801824700002101842700002401863700001701887700002001904856011001924 2018 eng d a0276-733300aMechanism of nickel(II)-catalyzed C(2)-H alkynylation of indoles with alkynyl bromide0 aMechanism of nickelIIcatalyzed C2H alkynylation of indoles with  cJUL a2037-20450 v373 a

The nickel system (THF)(2)NiBr2/phen has recently been shown as an efficient catalyst for the C-H bond alkynylation of diverse heteroarenes with (triisopropylsilyl)alkynyl bromide via monodentate chelation assistance. Herein, we report an extensive mechanistic investigation for the direct alkynylation of indoles involving the well-defined nickel catalyst, which features a coordinative insertion pathway of alkynyl bromide with the Ni(II) catalyst. Catalytic relevant nickel complexes, (phen)NiCl2 (5), (phen)(2)NiCl2 (6) and [(phen)(3)Ni].NiCl4 (7) were isolated, and the complexes 6 and 7 were structurally characterized. Well-defined complexes were as competent as the in situ generated catalyst system (THF)(2)NiBr2/phen for the alkynylation of indoles. Various controlled studies and reactivity experiments were performed to understand the probable pathway for the alkynylation reaction. Kinetics analysis highlights that the complex (phen)NiX2 acts as a precatalyst, and the involvement of substrate indole and LiO'Bu are essential for the generation of the active catalyst. Deuterium labeling and kinetic studies suggest that the process involving C-H cleavage and carbo-nickelation of indole is a crucial rate influencing step. Reactivity study of various alkynyl compounds with nickel-species highlights a migratory insertion route for the reaction. DFT calculations firmly support the experimental findings and suggest the coordinative insertion pathway of alkynyl bromide rather than oxidative addition toward the nickel(II) center.

1 aKhake, Shrikant, M.1 aJain, Shailja1 aPatel, Ulhas, N.1 aGonnade, Rajesh, G.1 aVanka, Kumar1 aPunji, Benudhar uhttps://library.ncl.res.in/content/mechanism-nickelii-catalyzed-c2-h-alkynylation-indoles-alkynyl-bromide02045nas a2200205 4500008004100000022001400041245010400055210006900159260000800228300001400236490000700250520133400257100002101591700001801612700002201630700002401652700001701676700002001693856012601713 2018 eng d a0276-733300aMechanistic aspects of pincer nickel(II)-catalyzed C-H bond alkylation of azoles with alkyl halides0 aMechanistic aspects of pincer nickelIIcatalyzed CH bond alkylati cMAR a1017-10250 v373 a

The quinolinyl-based pincer nickel complex, kappa(N),kappa(N),kappa(N)-{C9H6N-(mu-N)-C6H4-NMe2}NiCl [((NNNMe2)-N-Q)-NiCl; (1)] has recently been demonstrated to be an efficient and robust catalyst for the alkylation of azoles with alkyl halides under copper-free conditions. Herein, we report the detailed mechanistic investigation for the alkylation of azoles catalyzed by ((NNNMe2)-N-Q)NiCl (1), which highlights an iodine atom transfer (IAT) mechanism for the reaction involving a Ni-II/Ni-III process. Deuterium labeling experiments indicate reversible cleavage of the benzothiazole C-H bond, and kinetic studies underline a fractional negative rate order with the substrate benzothiazole. The involvement of an alkyl radical during the alkylation is validated by radical clock and external additive experiments. An active intermediate species ((NNNMe2)-N-Q)Ni(benzothiazolyl) (5a) has been isolated and structurally characterized. The complex ((NNNMe2)-N-Q)Ni(benzothiazoly1) (5a) is found to be the resting state of catalyst 1. Kinetic analysis of electronically different intermediates suggests that the step involving the reaction of 5a with alkyl iodide is crucial and a rate-influencing step. DFT calculations strongly support the experimental findings and corroborate an IAT process for the alkylation reaction.

1 aPatel, Ulhas, N.1 aJain, Shailja1 aPandey, Dilip, K.1 aGonnade, Rajesh, G.1 aVanka, Kumar1 aPunji, Benudhar uhttps://library.ncl.res.in/content/mechanistic-aspects-pincer-nickelii-catalyzed-c-h-bond-alkylation-azoles-alkyl-halides02198nas a2200241 4500008004100000022001400041245013700055210006900192260000800261300001200269490000800281520136100289653002801650653001501678653001001693653002501703653001501728100002201743700001801765700002001783700002801803856012501831 2018 eng d a0009-308400aMembrane-induced organization and dynamics of the N-terminal domain of chemokine receptor CXCR1: insights from atomistic simulations0 aMembraneinduced organization and dynamics of the Nterminal domai cJAN a142-1480 v2103 a

The CXC chemokine receptor 1 (CXCR1) is an important member of the G protein-coupled receptor (GPCR) family in which the extracellular N-terminal domain has been implicated in ligand binding and selectivity. The structure of this domain has not yet been elucidated due to its inherent dynamics, but experimental evidence points toward membrane-dependent organization and dynamics. To gain molecular insight into the interaction of the N-terminal domain with the membrane bilayer, we performed a series of microsecond time scale atomistic simulations of the N-terminal domain of CXCR1 in the presence and absence of POPC bilayers. Our results show that the peptide displays a high propensity to adopt a beta-sheet conformation in the presence of the membrane bilayer. The interaction of the peptide with the membrane bilayer was found to be transient in our simulations. Interestingly, a scrambled peptide, containing the same residues in a randomly varying sequence, did not exhibit membrane-modulated structural dynamics. These results suggest that sequence-dependent electrostatics, modulated by the membrane, could play an important role in folding of the N-terminal domain. We believe that our results reinforce the emerging paradigm that cellular membranes could be important modulators of function of G protein-coupled receptors such as CXCR1.

10aAll atom MD simulations10abeta-sheet10aCXCR110aMembrane interaction10aN-terminal1 aKharche, Shalmali1 aJoshi, Manali1 aSengupta, Durba1 aChattopadhyay, Amitabha uhttps://library.ncl.res.in/content/membrane-induced-organization-and-dynamics-n-terminal-domain-chemokine-receptor-cxcr102257nas a2200157 4500008004100000022001600041245011900057210006900176260000800245300001600253490000700269520164800276100002201924700002101946856013201967 2018 eng d a12630-1264300aMetal oxide-promoted hydrodeoxygenation activity of platinum in pt-mox/al2o3 catalysts for green diesel production0 aMetal oxidepromoted hydrodeoxygenation activity of platinum in p cDEC a12630-126430 v323 aCatalytic deoxygenation of fatty acids into renewable hydrocarbons (green diesel) was investigated over 4Pt-8MO(x)/Al2O3 (M = Mo, Re, W, and Sn) catalysts prepared by the wet impregnation method. Platinum deposited on MOx-modified gamma-Al2O3 showed higher catalytic hydrodeoxygenation activity than that of the "neat" Pt/Al2O3 catalyst. The promotional effect of metal oxides (MOx) decreased in the following order: MoOx > ReOx > WOx > SnOx. Characterization studies revealed that metal oxides affect the textural and electronic properties of Pt. Supported Pt facilitated the reduction of these metal oxides. Synergy and electronic contact between Pt and MOx determined the catalytic deoxygenation performance. Fatty acid conversion increased with increasing metallic nature (decreasing binding energy) of Pt. Hydrodeoxygenation product selectivity correlated with the extent of metal oxide reduction. Among the catalysts, 4Pt-8MoO(x)/Al2O3 had the optimum dispersion, electron-rich Pt, and reduced Mo5+ species, enabling quantitative conversion of oleic acid with 93.5% octadecane selectivity at a temperature as low as 220 degrees C and 20 bar hydrogen pressure. Metal oxide switched the mechanism of deoxygenation from decarbonylation/decarboxylation to hydrodeoxygenation. Fatty acids, methyl oleate, and vegetable oil were deoxygenated with equal efficiency over this catalyst. Catalysts were reusable in recycling studies only at higher temperature (320 degrees C) and not at lower temperature (260 degrees C), perhaps due to strong sticking of reactant molecules at lower temperature on the catalyst surface than at higher temperature.1 aJanampelli, Sagar1 aDarbha, Srinivas uhttps://library.ncl.res.in/content/metal-oxide-promoted-hydrodeoxygenation-activity-platinum-pt-moxal2o3-catalysts-green-diesel01272nas a2200157 4500008004100000245014100041210006900182260000800251300001500259520061400274100002400888700002300912700002700935700002600962856012600988 2018 eng d00aMetal-free synthesis of 3-thiocyanatobenzothiophenes by eosin Y photoredox-catalyzed cascade radical annulation of 2-alkynylthioanisoles0 aMetalfree synthesis of 3thiocyanatobenzothiophenes by eosin Y ph cSEP a 4867-48733 a

A convenient, efficient, metal-free synthesis of 3-thiocyanatobenzothiophenes has been developed that uses eosin Y in a visible-light-mediated photoredox-catalyzed anion oxidation of the ammonium salt of thiocyanate and proceeds through the cascade radical annulation of 2-alkynylthioanisole at room temperature. The present protocol requires visible light as a green energy source, an organic dye as the photocatalyst, and oxygen as a green oxidant to provide a mild route with a broad substrate scope for the formation of potentially bioactive 3-substituted benzothiophene derivatives in good yields.

1 aTambe, Shrikant, D.1 aJadhav, Mahesh, S.1 aRohokale, Rajendra, S.1 aKshirsagar, Umesh, A. uhttps://library.ncl.res.in/content/metal-free-synthesis-3-thiocyanatobenzothiophenes-eosin-y-photoredox-catalyzed-cascade01454nas a2200229 4500008004100000022001400041245009900055210006900154260000800223300001600231490000700247520070500254100001700959700001700976700001700993700002301010700001501033700001801048700002201066700002101088856011501109 2018 eng d a0020-166900aMetamagnetism in nanosheets of Co-II-MOF with T-N at 26 K and a giant hysteretic effect at 5 K0 aMetamagnetism in nanosheets of CoIIMOF with TN at 26 K and a gia cDEC a15044-150470 v573 aHerein, we have synthesized at room-temperature two-dimensional nanosheets of a MOF comprised of cobalt(II) ion with benzenedicarboxylic acid ligand, which exhibited unusual magnetic properties. Direct-current magnetic susceptibility revealed an anti-ferromagnetic (AFM) transition at 26 K (Neel temperature, T-N) followed by a canting of the spin moments along with the concomitant appearance of a sigmoidal-shaped magnetization versus field (M-H) curve at 15 K. Such a canted AFM ordering led to nonzero remnant magnetization with a remarkably high coercive field of similar to 10 kOe at 5 K. Metamagnetism was further: substantiated by the alternating-current magnetic susceptibility measurements.1 aGupta, Kriti1 aDadwal, Arun1 aRana, Shammi1 aJha, Plawan, Kumar1 aJain, Anil1 aYusuf, S., M.1 aJoy, Pattayil, A.1 aBallav, Nirmalya uhttps://library.ncl.res.in/content/metamagnetism-nanosheets-co-ii-mof-t-n-26-k-and-giant-hysteretic-effect-5-k02047nas a2200193 4500008004100000022001400041245016300055210006900218260000800287300001200295490000800307520128500315100002401600700002601624700002301650700002501673700002301698856013201721 2018 eng d a0013-468600aMethanol oxidation reaction on Pt based electrocatalysts modified ultramicroelectrode (UME): Novel electrochemical method for monitoring rate of CO adsorption0 aMethanol oxidation reaction on Pt based electrocatalysts modifie cOCT a287-2950 v2863 aNovel fast scan cyclic voltammetry (FSCV) based method has been developed to study methanol oxidation reaction on Pt nanoparticles (PtNPs) based catalysts. To support the cyclic voltammetry measurements at higher scan rates, micron-sized electrode geometries viz. PtNPs loaded on the single strand of carbon fiber (SSCF) and PtNPs decorated multiwalled carbon nanotubes (MWCNTs), loaded on commercial ultramicroelectrode (UME) have been employed. Deconvolution of the voltammograms obtained during methanol oxidation revealed three major anodic peaks. These peaks have been plausibly attributed to the electron transfer processes viz. methanol oxidation into CO/other intermediates, oxidation of these intermediates into CO2 and adsorption of un-oxidized CO on the catalyst surface. The peaks due to CO adsorption have been elucidated as a function of scan rates. The area under the peak as a function of time has been correlated to the rate of CO adsorption on these catalysts. The average rate of CO adsorption in methanol oxidation at Pt-SSCF and Pt-MWCNTs/UME are estimated to be 1.08 x 10(-8) mol cm(-2) s(-1) and 13.5 x 10(-8) mol cm(-2) s(-1) respectively. This novel method is proposed to generalize to any electrocatalysts of interest. (C) 2018 Published by Elsevier Ltd.1 aJoshi, Vrushali, S.1 aPoudyal, Durgasha, C.1 aSatpati, Ashis, K.1 aPatil, Kashinath, R.1 aHaram, Santosh, K. uhttps://library.ncl.res.in/content/methanol-oxidation-reaction-pt-based-electrocatalysts-modified-ultramicroelectrode-ume-novel02644nas a2200289 4500008004100000022001400041245008600055210006900141260000800210300001400218490000700232520174800239653001901987653001302006653001702019653001702036100001802053700001802071700002802089700002102117700002202138700002102160700002302181700002102204700002402225856010502249 2018 eng d a1466-502600aMicrobacterium telephonicum sp nov., isolated from the screen of a cellular phone0 aMicrobacterium telephonicum sp nov isolated from the screen of a cAPR a1052-10580 v683 a

A cultivation-based study of the microbial diversity of cellular phone screens led to the isolation of a Gram-stain-positive, aerobic, rod-shaped and non-endospore-forming bacterium, designated S2T63(T), exhibiting phenotypic and genotypic characteristics unique to the type strains of closely related species. Phylogenetic analysis based on 16S rRNA gene sequences indicated that the strain is a member of Microbacterium, and most closely related to Microbacterium aurantiacum IFO 15234(T) and Microbacterium kitamiense Kitami C2(T). The DNA-DNA relatedness values of the strain S2T63(T) to M. aurantiacum KACC 20510(T), M. kitamiense KACC 20514(T) and Microbacterium laevaniformans KACC 14463(T) were 65% (+/- 4), 29.5% (+/- 3) and 55.9% (+/- 4), respectively. The genomic DNA G+C content was 71.8 mol%. The major fatty acids were anteiso C-15:0, iso-C-16 : 0, C-16 : 0 and anteiso-C-17 : 0. The main polar lipids were diphosphatidylglycerol, phosphatidylethanolamine, phosphatidylglycerol and two unidentified polar lipids. The peptidoglycan contained the amino acids glycine, lysine, alanine and glutamic acid, with substantial amounts of hydroxy glutamic acid detected, which is characteristic of peptidoglycan type B1 alpha. The predominant menaquinones were MK-12 and MK-13. Rhamnose, fucose and galactose were the whole-cell sugars detected. The strain also showed biofilm production, estimated by using crystal violet assay. Based on the results of the phenotypic and genotypic characterizations, it was concluded that the new strain represents a novel species of the genus Microbacterium, for which the name Microbacterium telephonicum is proposed, with S2T63(T) (=MCC 2967 T = KACC 18715 T = LMG 29293(T)) as the type strain.

10aactinobacteria10abio-film10aMALDI-TOF MS10amobile phone1 aRahi, Praveen1 aKurli, Rashmi1 aPansare, Aabeejjeet, N.1 aKhairnar, Mitesh1 aJagtap, Shubhangi1 aPatel, Nisha, B.1 aDastager, Syed, G.1 aLawson, Paul, A.1 aShouche, Yogesh, S. uhttps://library.ncl.res.in/content/microbacterium-telephonicum-sp-nov-isolated-screen-cellular-phone01509nas a2200169 4500008004100000022001400041245005600055210005600111260000800167300000900175490000700184520101200191100001701203700001401220700001901234856008601253 2018 eng d a1932-213500aModeling and simulation of a fluidized bed gasifier0 aModeling and simulation of a fluidized bed gasifier cFEB a21550 v133 a

A mathematical model to simulate continuous gasification of coal particles in a bubbling fluidized bed reactor is presented. Material and energy balance equations have been formulated based on the 2-phase theory. Well-known correlations have been used to estimate the hydrodynamics. Devolatilization, heterogeneous reactions, and homogenous reactions have been included in the model. The model is used to simulate 29 experimental data sets from the published literature. The model predictions agree very well with the experimental data by adjusting the particle size. After establishing agreement with the data, the model was used to investigate influence of various operating parameters on overall performance (carbon conversion and the gross calorific value of generated gas). Thermodynamic analysis (using the minimization of the Gibbs free energy approach) has also been discussed. The presented model and results provide useful tool and insight on design and operation of fluidized bed gasifier.

1 aJain, A., A.1 aMehra, A.1 aRanade, V., V. uhttps://library.ncl.res.in/content/modeling-and-simulation-fluidized-bed-gasifier02571nas a2200157 4500008004100000022001400041245017100055210006900226260000900295300001600304490000700320520191700327100001602244700003002260856012302290 2018 eng d a1944-824400aNew strategy toward a dual functional nanocatalyst at ambient conditions: influence of the Pd-Co interface in the catalytic activity of Pd@Co core-shell nanoparticles0 aNew strategy toward a dual functional nanocatalyst at ambient co cDEC  a41268-412780 v103 a

Bimetallic nanostructures with a combination of noble and nonnoble metals hold promise for improving catalyst activity and selectivity. Here, we report the synthesis of Pd@Co (PC) core shell morphology nanoparticles with three different ratios of palladium (Pd) and cobalt (Co), and a possibility to fine tune the ratio of core and shell thickness. PC exhibits superior and selective hydrogenation as well as oxidation catalytic activity at ambient or near-ambient conditions. Various characterization techniques have been employed to confirm the core shell morphology. Without any pre-treatment or activation, fresh catalysts with different Pd to Co ratios, that is, 2:1, 1:1, and 1:2, were subjected to olefin (phenylacetylene) hydrogenation and oxidation (styrene to styrene oxide) reaction. The catalytic activity results demonstrate that the 1:1 ratio of Pd/Co is the most active composition for controlled and stepwise reduction of phenyl acetylene to styrene and then to ethyl benzene; 1:1 Pd/Co shows 100% styrene conversion in 30 min. with an order of magnitude higher turnover frequency than other catalysts. The 1:1 PC ratio is also the most active composition for selective oxidation of styrene to styrene oxide. NAPXPS (near-ambient pressure XPS) results show that the active sites for catalytic hydrogenation and oxidation reaction are Co and Co3+, respectively. However, the superior catalytic performance can be attributed to Co (for reduction) or Co3+ (for oxidation), and the Pd Co interface plays a critical role in stabilizing the required functional character. NAPXPS results confirm that the superior catalytic performance can be attributed not only to Co or Co3+, but also to the Pd Co interface. The electronic effect and synergism between Co and Pd helps Co to stabilize in different oxidation states depending on the reaction conditions, and making it a dual functional catalyst.

1 aJain, Ruchi1 aGopinath, Chinnakonda, S. uhttps://library.ncl.res.in/content/new-strategy-toward-dual-functional-nanocatalyst-ambient-conditions-influence-pd-co02161nas a2200193 4500008004100000022001400041245013700055210006900192260000800261490000700269520141000276100002701686700002701713700002701740700003101767700002101798700001801819856013001837 2018 eng d a1935-273500a Nitrosporeusine analogue ameliorates Chandipura virus induced inflammatory response in CNS via NF kappa b inactivation in microglia0 aNitrosporeusine analogue ameliorates Chandipura virus induced in cJUL0 v123 aChandipura Virus (CHPV), a negative-stranded RNA virus belonging to the Rhabdoviridae family, has been previously reported to bring neuronal apoptosis by activating several factors leading to neurodegeneration. Following virus infection of the central nervous system, microglia, the ontogenetic and functional equivalents of macrophages in somatic tissues gets activated and starts secreting chemokines, thereby recruiting peripheral leukocytes into the brain parenchyma. In the present study, we have systemically examined the effect of CHPV on microglia and the activation of cellular signalling pathways leading to chemokine expression upon CHPV infection. Protein and mRNA expression profiles of chemokine genes revealed that CHPV infection strongly induces the expression of CXC chemokine ligand 10 (CXCL10) and CC chemokine ligand 5 (CCL5) in microglia. CHPV infection triggered the activation of signalling pathways mediated by mitogen-activated protein kinases, including p38, JNK 1 and 2, and nuclear factor kappa B (NF-kappaB). CHPV-induced expression of CXCL10 and CCL5 was achieved by the activation of p38 and NF-kappaB pathways. Considering the important role of inflammation in neurodegeneration, we have targeted NF-kappaB using a newly synthesised natural product nitrosporeusine analogue and showed incapability of microglial supernatant of inducing apoptosis in neurons after treatment.1 aVerma, Abhishek, Kumar1 aWaghmare, Trushnal, S.1 aJachak, Gorakhnath, R.1 aPhilkhana, Satish, Chandra1 aReddy, Srinivasa1 aBasu, Anirban uhttps://library.ncl.res.in/content/nitrosporeusine-analogue-ameliorates-chandipura-virus-induced-inflammatory-response-cns-nf02139nas a2200217 4500008004100000245014400041210006900185260000800254300001300262490000800275520132900283100002201612700001701634700002901651700001801680700002301698700002401721700002301745700002201768856013101790 2018 eng d00aNucleic aptamer modified porous reduced graphene oxide/MoS2 based electrodes for viral detection: application to human papillomavirus (HPV)0 aNucleic aptamer modified porous reduced graphene oxideMoS2 based cJUN a991-10000 v2623 aNext to graphene nanomaterials, molybdenum disulfide (MoS2) offers large surface area that can enhance its biosensing performance. In this work, we investigate the performance of glassy carbon (GC) electrodes modified successively with porous reduced graphene oxide (prGO) and molybdenum sulfide (MoS2) for the sensitive and selective detection of the L1-major capsid protein of human papilloma virus (HPV). Owing to the difficulties to perform serological assays and HPV culture efficiently, tools based on molecular recognition are becoming of great importance. We developed here an electrochemical sensor for HPV upon covalent functionalization of the electrode with an aptamer Sc5-c3, a RNA aptamer targeted against the HPV-16 L1 protein. Using differential pulse voltammetry (DPV) and an optimized sensor interface, a linear relationship between the peak current density of a redox couple such as [Fe(CN)6]4- and the concentration of HPV-16 L1 proteins in the range of 0.2-2 ng mL(-1) (3.5 pM-35.3 pM) could be reached with a detection limit of 0.1 ng mL(-1) (1.75 pM). Cross-reactivity studies demonstrated high selectivity over potential interfering species such as HPV-16 E6, opening new opportunities of the developed concept for the development of point of care devices. (C) 2018 Elsevier B.V. All rights reserved.1 aChekin, Fereshteh1 aBagga, Komal1 aSubramanian, Palaniappan1 aJijie, Roxana1 aSingh, Santosh, K.1 aKurungot, Sreekumar1 aBoukherroub, Rabah1 aSzunerits, Sabine uhttps://library.ncl.res.in/content/nucleic-aptamer-modified-porous-reduced-graphene-oxidemos2-based-electrodes-viral-detection01681nas a2200265 4500008004100000022001400041245010000055210006900155260000800224300001400232490000600246520083600252653000601088653001901094653002201113653001801135653001901153653001301172100002001185700001601205700001801221700001801239700002701257856013101284 2018 eng d a2365-654900aOne pot synthesis and biological evaluation of some new pyridine-3,5-dicarbonitrile derivatives0 aOne pot synthesis and biological evaluation of some new pyridine cMAR a3374-33780 v33 a

We have developed eco-friendly route for the synthesis of title compounds by using simple compounds like aromatic aldehydes, malononitrile, 4-bromothiophenol and NaHCO3. In continuation to this, a series of pyridine-3,5-dicarbonitriles were synthesized with excellent yields and assessed for their invitro antitubercular and antimicrobial activity. The results of the antimicrobial study showed potent antimicrobial activity as compared to the standard drugs (Chloramphenicol and Griseofulvin). It was noticed that the presence of electron donating groups significantly increases the antibacterial activity of the newly synthesized compounds. The title compounds further evaluated for antitubercular activity and from the promising results, they were found to possess significant biological activity against M. tuberculosis.

10a310a4-Arylpyridine10a5-dicarbonitriles10aAntimicrobial10aAntitubercular10aCatalyst1 aJoshi, Hitendra1 aShah, Nirav1 aSakar, Dhiman1 aDesai, N., C.1 aJadeja, Krunalsinh, A. uhttps://library.ncl.res.in/content/one-pot-synthesis-and-biological-evaluation-some-new-pyridine-35-dicarbonitrile-derivatives01193nas a2200181 4500008004100000022001400041245009600055210006900151260000900220300001600229490000700245520056600252100001700818700001800835700002200853700002200875856011400897 2018 eng d a0022-326300a Oxidative NHC catalysis for the generation of imidoyl azoliums: synthesis of benzoxazoles 0 aOxidative NHC catalysis for the generation of imidoyl azoliums s c DEC a14820-148260 v833 a

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

1 aPatra, Atanu1 aJames, Anjima1 aDas, Tamal, Kanti1 aBiju, Akkattu, T. uhttps://library.ncl.res.in/content/oxidative-nhc-catalysis-generation-imidoyl-azoliums-synthesis-benzoxazoles01928nas a2200241 4500008004100000022001400041245009800055210006900153260000800222300001400230490000600244520110600250653003301356653001601389653001901405653001301424653002501437100002101462700003101483700002001514700002501534856012701559 2018 eng d a2155-543500aPhotocatalysis enabling acceptorless dehydrogenation of diaryl hydrazines at room temperature0 aPhotocatalysis enabling acceptorless dehydrogenation of diaryl h cAUG a7727-77330 v83 a

Aromatic azo compounds are privileged structural motifs, and they exhibit a myriad of pharmaceutical as well as industrial applications. Here, we report a catalytic acceptorless dehydrogenation of diarylhydrazine derivatives to access a wide variety of aryl-azo compounds with the removal of molecular hydrogen as the sole byproduct. This distinctive reactivity has been achieved under dual catalytic conditions by merging the visible-light active [Ru(bpy)(3)](2+) as the photoredox catalyst and Co(dmgH)(2)(py)Cl as the proton-reduction catalyst. The reaction proceeds smoothly under very mild and benign conditions and operates at ambient temperature. This dual catalytic approach is highly compatible with many different functional groups and has a broad substrate scope. We have also demonstrated the reversible hydrogen storage and release phenomenon on hydrazobenzene/azobenzene couple to show the utility of these compounds as hydrogen storage materials. Further diversification of azobenzene was shown by a transition metal-catalyzed azo-group-directed ortho-C-H bond functionalization.

10aacceptorless dehydrogenation10aAzo benzene10adual catalysis10aHydrogen10aphotoredox catalysis1 aSahoo, Manoj, K.1 aSaravanakumar, Krishnasamy1 aJaiswal, Garima1 aBalaraman, Ekambaram uhttps://library.ncl.res.in/content/photocatalysis-enabling-acceptorless-dehydrogenation-diaryl-hydrazines-room-temperature02837nas a2200337 4500008004100000022001400041245018300055210006900238260000900307300001200316490000800328520165900336653001501995653002602010653002102036653003402057653002402091100002102115700001202136700002302148700002202171700001802193700002802211700002402239700002302263700002402286700001902310700002302329700002202352856012502374 2018 eng d a0013-468600aPorous reduced graphene oxide modified electrodes for the analysis of protein aggregation. Part 2: Application to the analysis of calcitonin containing pharmaceutical formulation0 aPorous reduced graphene oxide modified electrodes for the analys cMAR  a364-3720 v2663 a

In part 1 (A. Vasilescu et al., Porous reduced graphene oxide modified electrodes for the analysis of protein aggregation. Part 1: Lysozyme aggregation at pH 2 and 7.4 Electrochem. Acta, 254 (2017) 375 -383) we proposed porous reduced graphene oxide coated glassy carbon electrode (GC/prGO) in combination with differential pulse voltammetry as a new analytical tool for aggregation studies of proteins. Lysozyme was used as a model to follow its aggregation by electrochemical means at pH 2 and pH 7.4, leading to the formation of amyloid and amorphous aggregates, respectively. Part 2 of this work widens the scope of this approach by investigating a biopharmaceutical product, as the aggregation of peptide based drugs affects their therapeutic activity and can induce allergic reactions in patients. The salmon polypeptide calcitonin (sCT) was chosen as an example of a bioactive peptide with limited pharmaceutical potential due to a tendency to form cytotoxic aggregates and amyloid fibrils. For practical applications, screen printed electrodes (SPE) and flexible electrodes (FE) modified with polydiallyldimethylammonium (PDDA) and prGO by using the layer-by-layer deposition technique have been developed for the detection of sCT. The results indicate that these electrodes can differentiate between formation of amyloid aggregates of calcitonin (2 mg mL(-1)) in citrate buffer to no aggregation in acetate buffer. It was further demonstrated that these electrodes are able to analyze a pharmaceutical drug product of low potency, Miacalcic (8.3 mu g mL(-1)), where no aggregation was observed. (C) 2018 Elsevier Ltd. All rights reserved.

10aCalcitonin10aDisposable electrodes10aElectrochemistry10aPorous reduced graphene oxide10aProtein aggregation1 aVasilescu, Alina1 aYe, Ran1 aBoulahneche, Samia1 aLamraoui, Sabrina1 aJijie, Roxana1 aMedjram, Mohamed, Salah1 aGaspar, Szilveszter1 aSingh, Santosh, K.1 aKurungot, Sreekumar1 aMelinte, Sorin1 aBoukherroub, Rabah1 aSzunerits, Sabine uhttps://library.ncl.res.in/content/porous-reduced-graphene-oxide-modified-electrodes-analysis-protein-aggregation-part-201664nas a2200157 4500008004100000245012300041210006900164260000800233300001400241490000700255520104900262100002501311700002101336700002101357856012801378 2018 eng d00a Refractive index and vapor-liquid equilibrium data for the binary systems of anisole with xylene isomers at 93.13 kPa0 aRefractive index and vaporliquid equilibrium data for the binary cSEP a3475-34810 v633 aPhase equilibrium behavior of binary systems of anisole with xylene isomers was analyzed experimentally. An apparatus which establishes equilibrium conditions through continuous circulation of equilibrium vapor condensate and equilibrium liquid was used. Experimental data comprising refractive indices of binary mixtures, equilibrium compositions of vapor and liquid, and equilibrium temperature are reported for all binary systems. Thermodynamic consistency of vapor-liquid equilibrium data was established for using the Herington, Van Ness and absolute mean deviation tests. Interaction parameters of activity coefficient models, Wilson, nonrandom two liquid, and universal quasichemical, which are important for accounting nonideal behavior in process modeling, are also estimated through regression of the respective binary VLE data. Although VLE data shows that binary systems are nonazeotropic in nature, a pinch in the T-x,y plot indicates that separation of all binary system using distillation may need a significant number of stages.1 aYadav, Satyajeet, S.1 aMali, Nilesh, A.1 aJoshi, Sunil, S. uhttps://library.ncl.res.in/content/refractive-index-and-vapor-liquid-equilibrium-data-binary-systems-anisole-xylene-isomers01927nas a2200289 4500008004100000022001400041245009800055210006900153260000900222300001400231490000700245520098200252653001401234653002001248653002701268653001701295653001401312653001101326653002001337100002301357700002301380700001501403700002201418700003001440700003701470856013001507 2018 eng d a0960-894X00aRegioselective and efficient enzymatic synthesis of antimicrobial andrographolide derivatives0 aRegioselective and efficient enzymatic synthesis of antimicrobia cAPR  a1132-11370 v283 a

Labdane diterpene andrographolide (1) is a major constituent of Andrographis paniculata and known to exhibit wide spectrum of biological activities. In this study, regioselective monoesters of (1) have been synthesized by using Amano lipase AK (Pseudomonas fluorescens) as a biocatalyst. Amano lipase AK was able to execute highly efficient esterification of hydroxyl group attached to C-14 carbon of (1) in presence of acyl donors. Among the various synthesized derivatives including two novel compounds such as andrographolide-14-propionate (3) and andrographolide-14-caproate (5) displayed antimicrobial activity against Staphylococcus aureus with low minimal inhibitory concentration (MIC) 4 mu g/mL and 16 mu g/mL respectively. Furthermore, they have shown low hemolysis activity at their respective MIC and increase in the permeability of the bacterial cell membrane as delineated by FITC uptake and SEM imaging studies. (C) 2018 Elsevier Ltd. All rights reserved.

10aAcylation10aAndrographolide10aAntimicrobial activity10abiocatalysis10aHemolysis10aLipase10aNatural product1 aPatil, Harshal, S.1 aJadhav, Dipesh, D.1 aPaul, Ajay1 aMulani, Fayaj, A.1 aKaregaonkar, Shrikant, J.1 aThulasiram, Hirekodathakallu, V. uhttps://library.ncl.res.in/content/regioselective-and-efficient-enzymatic-synthesis-antimicrobial-andrographolide-derivatives02258nas a2200157 4500008004100000245014000041210006900181260000800250300001000258490000800268520163700276100002001913700001901933700002101952856012701973 2018 eng d00aSelective N-acetylation with concurrent S-oxidation of o-amino thiol at ambient conditions over Ce doped ZnO composite nanocrystallites0 aSelective Nacetylation with concurrent Soxidation of oamino thio cMAY a19-280 v4503 aThe oxidative S-S coupling of thiol to disulfide is an imperative chemical transformation in the domain of biological processes and also finds numerous chemical applications. The CeO2 and ZnO are significant catalysts for oxidation of thiol to disulfide and N-acetylation of amines respectively. Dithiobis(phenylene)bis(benzyldeneimine) moiety containing N-acetyl and disulfide functional groups is a potential antimicrobial agent with Leishmanicidal and antihyperlipidemic activities. Herein, we report a synchronized catalytic application of Ce doped ZnO (Ce-ZnO) and CeO2-Ce-ZnO composites for selective synthesis of Dithiobis(phenylene)bis(benzyldeneimine) from o-amino thiol. The Ce-ZnO samples were synthesized by simple co precipitation method by calcination of hydroxide precursors at 400 degrees C to get 0-10% Ce-ZnO nanocrystallites. The formation of CeO2-Ce-ZnO composite material was observed beyond 1.5% Ce concentration. The synthesized materials were well characterized by IR, XRD, DRS spectroscopy and SEM-EDS analysis. The application of Ce doped ZnO as an efficient catalyst towards the selective N-acetylation and concurrent S-oxidation of o-amino thiol to afford Dithiobis(phenylene)bis(benzyldeneimine) at ambient temperature in acetonitrile was deliberated. Among all screened catalysts, the maximum selectivity was found for 7.5% Ce-ZnO as CeO2-Ce-ZnO composite catalyst. Lewis acidic property of catalyst supported probable mechanism for achieved dual transformations. Also, the 7.5% Ce-ZnO catalyst has demonstrated a versatile S-S coupling ability for variety of thiol substrates with excellent stability.1 aJagtap, Rohidas1 aSakate, Sachin1 aPardeshi, Satish uhttps://library.ncl.res.in/content/selective-n-acetylation-concurrent-s-oxidation-o-amino-thiol-ambient-conditions-over-ce02091nas a2200277 4500008004100000022001400041245017600055210006900231260000800300300001400308490000700322520109300329653001301422653002801435653001901463653001401482653002401496100002601520700002101546700001701567700002101584700002801605700002101633700002801654856013101682 2018 eng d a1867-388000aSelective oxidation of cyclohexane to cyclohexanone using chromium oxide supported mesoporous MCM-41 nanospheres: probing the nature of catalytically active chromium sites0 aSelective oxidation of cyclohexane to cyclohexanone using chromi cAUG a3291-32980 v103 a

Highly dispersed chromium oxide supported mesoporous MCM-41 nanosphere catalysts have been synthesized using a simple wet impregnation method. This work is devoted to a systematic study to reveal the active Cr sites in chromium oxide supported MCM-41 nanosphere catalysts for the selective oxidation of cyclohexane to cyclohexanone. To probe the nature of the active species, we synthesized 0.5-10wt% Cr loaded catalysts and characterized them by using XRD, UV/Vis spectroscopy, Raman spectroscopy, X-ray photoelectron spectroscopy, extended X-ray absorption fine structure analysis, X-ray absorption near edge structure analysis, N-2 sorption analysis, FTIR spectroscopy, (SiNMR)-Si-29 spectroscopy, SEM, and TEM. The liquid-phase oxidation of cyclohexane to cyclohexanone (99% selectivity) was performed under mild reaction conditions, and the results reveal clearly that the 5wt% Cr loaded catalyst was optimum for the reaction. The initial composition of isolated Cr3+ species in the catalyst is the major factor that influences the enhanced activity for cyclohexane oxidation.

10achromium10aheterogeneous catalysis10aNanostructures10aOxidation10asupported catalysts1 aBetsy, Kurisingal, J.1 aNayak, Chandrani1 aLazar, Anish1 aKrishnan, Athira1 aBhattacharyya, Dibyendu1 aJha, Shambhu, N.1 aVinod, Chathakudath, P. uhttps://library.ncl.res.in/content/selective-oxidation-cyclohexane-cyclohexanone-using-chromium-oxide-supported-mesoporous-mcm01983nas a2200229 4500008004100000245014000041210006900181260000800250300001200258490000800270520115600278100002201434700002101456700001801477700002301495700002401518700002001542700002001562700002301582700002201605856012601627 2018 eng d00aSensitive electrochemical detection of cardiac troponin I in serum and saliva by nitrogen-doped porous reduced graphene oxide electrode0 aSensitive electrochemical detection of cardiac troponin I in ser cJUN a180-1870 v2623 aCardiovascular diseases pose one of the highest mortality risks among all diseases in developed countries, steadily increasing the burden on the health systems. Early diagnosis of cardiovascular diseases has consequently become highly important to decrease mortality and to use more adapted therapeutic decisions. We demonstrate here the utility of nitrogen-doped reduced graphene oxide (N-prGO) for detecting and quantifying of cardiac troponin I (cTnI), a key human cardiac protein biomarker, under physiologically relevant conditions. Non-covalent modification of N-prGO by 1-pyrenecarboxylic acid (py-COOH) and poly(ethylene glycol) modified pyrene (py-PEG) ligands allowed the covalent integration of Tro4 aptamer, known for its high selectivity towards cTnI. Using differential pulse voltammetry (DPV), a label-free electrochemical sensor for cTnI for concentrations down to 1 pgmL(-1) in human serum could be obtained. This sensitive detection arises from the integration of a porous nanomaterial with excellent electrochemical properties being easily amendable to site-specific surface modification. (C) 2018 Elsevier B.V. All rights reserved.1 aChekin, Fereshteh1 aVasilescu, Alina1 aJijie, Roxana1 aSingh, Santosh, K.1 aKurungot, Sreekumar1 aIancu, Madalina1 aBadea, Gabriela1 aBoukherroub, Rabah1 aSzunerits, Sabine uhttps://library.ncl.res.in/content/sensitive-electrochemical-detection-cardiac-troponin-i-serum-and-saliva-nitrogen-doped02626nas a2200181 4500008004100000022001400041245012400055210006900179260000900248300001400257490000800271520193900279100002702218700001602245700002902261700003002290856012402320 2018 eng d a1932-744700aSilicon oxidation by NAPPES: From dangling bonds to oxygen islands to 2D SiOx layer to the onset of bulk SiO2 formation0 aSilicon oxidation by NAPPES From dangling bonds to oxygen island cMAR  a4331-43380 v1223 a

Valence band and core level photoelectron spectral measurements at near-ambient pressures (NAP; up to 0.5 mbar) were made in the presence of molecular oxygen to explore the various oxidation stages of silicon surfaces. Dangling bonds feature observed on clean Si-surfaces in the valence band at ultrahigh vacuum decreases dramatically due to oxygen adsorption between ambient temperature and up to 400 K at 0.1 mbar of O-2 pressure. The adsorption of oxygen on dangling bonds appears to be localized as islands; this reflects in the surface heterogeneous character and also responsible for the broadening in the oxygen gas phase vibrational features. This is further supported by an increase in the work function and can be correlated to the presence of Hofer (molecular) precursor. When the temperature was increased to 500 K, molecular precursor species dissociates to form Si-=-0 species. This is fully supported by the change in the Si work function as well as from the observation of oxidized Si species from Si 2p core level spectra. At >= 600 K, the Si-=-0 species dissociates to form a uniform 2D oxide layer on the silicon surface, which is characterized by the reappearance of sharp vibration features for gas-phase O-2 molecules. This layer is also quite stable up to 800 K and without any further oxidation in the bulk. On increasing the temperature to 850 K at 0.2 mbar oxygen pressure, bulk Si oxidation begins and the work function increases drastically by 1 eV. An angle-dependent Si 2p spectra recorded map out the presence of elemental Si to Si4+ from bulk to the surface, respectively. A simple model is proposed to show the various stage of silicon oxidation. A continuous change in the work function and electronic states observed due to gas-lattice (O-2-Si) interaction indicates the implications for surface-dependent phenomena, such as heterogeneous catalysis, electrochemistry, 2D layered materials.

1 aGhosalya, Manoj, Kumar1 aJain, Ruchi1 aReddy, Kasala, Prabhakar1 aGopinath, Chinnakonda, S. uhttps://library.ncl.res.in/content/silicon-oxidation-nappes-dangling-bonds-oxygen-islands-2d-siox-layer-onset-bulk-sio201881nas a2200265 4500008004100000022001400041245011900055210006900174260000800243300001400251490000700265520098400272100001601256700001801272700002001290700002101310700002601331700002401357700002801381700001701409700002201426700001701448700002101465856012901486 2018 eng d a0022-262300aSpecific stereoisomeric conformations determine the drug potency of cladosporin scaffold against malarial parasite0 aSpecific stereoisomeric conformations determine the drug potency cJUL a5664-56780 v613 a

The dependence of drug potency on diastereomeric configurations is a key facet. Using a novel general divergent synthetic route for a three-chiral center antimalarial natural product cladosporin, we built its complete library of stereoisomers (cladologs) and assessed their inhibitory potential using parasite-, enzyme-, and structure-based assays. We show that potency is manifest via tetrahyropyran ring conformations that are housed in the ribose binding pocket of parasite lysyl tRNA synthetase (KRS). Strikingly, drug potency between top and worst enantiomers varied 500-fold, and structures of KRS-cladolog complexes reveal that alterations at C3 and C10 are detrimental to drug potency whereas changes at C3 are sensed by rotameric flipping of glutamate 332. Given that scores of antimalarial and anti-infective drugs contain chiral centers, this work provides a new foundation for focusing on inhibitor stereochemistry as a facet of antimicrobial drug development.

1 aDas, Pronay1 aBabbar, Palak1 aMalhotra, Nipun1 aSharma, Manmohan1 aJachak, Goraknath, R.1 aGonnade, Rajesh, G.1 aShanmugam, Dhanasekaran1 aHarlos, Karl1 aYogavel, Manickam1 aSharma, Amit1 aReddy, Srinivasa uhttps://library.ncl.res.in/content/specific-stereoisomeric-conformations-determine-drug-potency-cladosporin-scaffold-against01681nas a2200169 4500008004100000022001400041245008800055210006900143260000800212300001600220490000700236520106300243100002701306700003801333700002501371856011501396 2018 eng d a1463-907600a Spin state engineered ZnxCo3-xO4 as an efficient oxygen evolution electrocatalyst 0 aSpin state engineered ZnxCo3xO4 as an efficient oxygen evolution cDEC a29452-294610 v203 aOxygen evolution is the key step in the oxidation of water in electrolyzers and photoelectrochemical cells for the production of hydrogen. Developing a non-precious metal oxide catalyst with good electrocatalytic activity for the oxygen evolution reaction (OER) is very challenging. In this work, nanostructured ZnxCo3-xO4 has been shown as an efficient catalyst with a low overpotential for the OER in 0.1 M KOH solution. Substitution of Co2+ in the spinel oxide Co3O4 with Zn2+ creates a higher number of high-spin Co3+, which is found to be directly correlated with the OER activity of ZnxCo3-xO4. Zn0.8Co2.2O4 (x = 0.8) with the optimum amount of Co2+/Co3+ and high-spin Co3+ content showed a very low overpotential of approximate to 250 mV, at 10 mA cm(-2), with a turnover frequency of approximate to 3 x 10(-3) s(-1) for the OER. The high Faradaic efficiency along with the stability of Zn0.8Co2.2O4 and electrocatalytic activity comparable with that of precious metal oxides indicate that this composition is a promising catalyst for water oxidation.1 aRamsundar, Rani, Mohan1 aPillai, Vijayamohanan, Kunjukrish1 aJoy, Pattayil, Alias uhttps://library.ncl.res.in/content/spin-state-engineered-znxco3-xo4-efficient-oxygen-evolution-electrocatalyst01738nas a2200241 4500008004100000245006800041210006700109260000800176300001200184490000800196520100300204100002401207700001801231700001601249700001401265700002001279700002001299700001701319700002601336700001801362700001601380856010001396 2018 eng d00aStructural and magnetic properties of La2Ni1-xCoxMnO6 compounds0 aStructural and magnetic properties of La2Ni1xCoxMnO6 compounds cJUN a248-2560 v1023 aSingle phase monoclinic La2Ni1-xMnO6 (x = 0.2, 0.4, 0.8) compounds, henceforth, referred as LNCxMO (x = 0.2, 0.4, 0.8) have been prepared by Sol-gel technique. The structural study and redox titration suggest that the samples are both La and O deficient. The generated atomic models using Rietveld refined structural parameters show octahedral distortion In the double perovskite structure. X-ray photoelectron spectroscopy (XPS) study has been used to determine the predominant valence states of Ni, Mn and Co ions. LNCxMO (x = 0.2, 0.4) are found to be Heisenberg ferromagnets whereas LNC0.8MO is a phase segregated system. In LNC0.4MO and LNO0.8MO, at temperatures above T-c, chi(-1)(T) curve shows the characteristics of Griffiths phase. The study of ac susceptibility and Isothermal remanent magnetization (IRM) discard the possibility of any glassy state at low temperatures. The antiphase boundaries (APBs), antisite disorders (ASDs) and oxygen vacancies play important roles in this system.1 aPramanik, Debabrata1 aMukherjee, S.1 aDan, Shovan1 aNandy, A.1 aPradhan, S., K.1 aDasgupta, Papri1 aPoddar, Asok1 aMukherjee, Manabendra1 aManjunath, B.1 aJoy, P., A. uhttps://library.ncl.res.in/content/structural-and-magnetic-properties-la2ni1-xcoxmno6-compounds02537nas a2200205 4500008004100000245019500041210006900236260000800305300001600313490000600329520173500335100002902070700001902099700001902118700001602137700001402153700001702167700001602184856013102200 2018 eng d00aStructural characterization and magnetic properties of undoped and copper-doped cobalt ferrite nanoparticles prepared by the octanoate coprecipitation route at very low dopant concentrations0 aStructural characterization and magnetic properties of undoped a cNOV a38621-386300 v83 aNanoparticles of undoped and copper-doped cobalt ferrite Co1−xCuxFe2O4 at very low dopant concentrations (x = 0; 0.02; 0.04; 0.06; 0.08) were successfully synthesized by pyrolysis of the corresponding hetero metal octanoate precursors obtained via coprecipitation using the octanoate ligand as precipitating agent. The precursors were then characterized by FTIR, ICP-AES and TG-DTA analyses and the results reveal the formation of a copper-cobalt-iron hydroxooctanoate represented by the formula [Co1−xCuxFe2(C8H15O2)6(OH)2·2H2O]. The decomposition products obtained upon pyrolysis in air at 400 °C for 3 h were characterized by FTIR, XRD, SEM, TEM, XPS and VSM analyses. FTIR and XRD analyses showed the formation of a single phase mixed spinel ferrite while TEM analysis showed that the particles have a spherical shape with a mean size of 20 nm and form spherical agglomerates with sizes reaching 500 nm in some cases as the SEM images show. The chemical states of the metallic species in the samples were revealed by XPS to be Cu2+, Co2+ and Fe3+. These results combined with XRD confirmed the mixed spinel structure, Co1−xCuxFe2O4 in which Cu2+ ions substitute Co2+ ions in tetrahedral sites for x lower than 0.06 and in octahedral sites for x between 0.06 and 0.08. Magnetic parameters such as saturation magnetization (Ms), coercivity (Hc), remanent magnetization (Mr), magnetocrystalline anisotropy constant (K) and reduced magnetization (Mr/Ms), obtained from magnetic hysteresis loops measured at room temperature, are in agreement with this mixed spinel structure and also indicate that these materials are ferromagnetic and could be good candidates for applications in biomedicine and in microwave devices. 1 aTedjieukeng, H.M., Kamta1 aTsobnang, P.K.1 aFomekong, R.L.1 aEtape, E.P.1 aJoy, P.A.1 aDelcorte, A.1 aLambi, J.N. uhttps://library.ncl.res.in/content/structural-characterization-and-magnetic-properties-undoped-and-copper-doped-cobalt-ferrite02139nas a2200157 4500008004100000022001300041245014800054210006900202260000900271300001400280490000600294520152300300100001701823700001601840856012501856 2018 eng d a2365654900aStructural elucidation of the binary mixtures of [emim][bf4] and [bmim][bf4] in ethyl-substituted solvents by isothermal titration calorimeter.0 aStructural elucidation of the binary mixtures of emimbf4 and bmi cJUN  a5792-58000 v33 aIn order to address the issue whether both ionic liquids and solvents influence the enthalpy of their solutions, highly accurate excess partial molar enthalpy, urn:x-wiley:23656549:media:slct201800976:slct201800976-math-0001 values have been measured using Isothermal Titration Calorimeter (ITC). Therefore, thermodynamic behavior has been observed in the mixtures containing ionic liquids. It essentially depends on the molecular structure of the constituents of the mixture. The hydrogen bonding between ionic liquids and ethyl‐substituted solvents (2‐ethoxyethanol, ethylene glycol, diethylamine, ethyl acetate and N,N‐ diethylacetamide) may lead to strong ion‐solvent interactions. In the present study, an effort has been made to quantify various interactions between ionic liquid and solvent, based on the urn:x-wiley:23656549:media:slct201800976:slct201800976-math-0002 values. Linear solvation free relation shows dependence of limiting excess partial molar enthalpies, urn:x-wiley:23656549:media:slct201800976:slct201800976-math-0003 upon the solvent properties. Structural orientation of solvent molecules and ionic liquids also described by the urn:x-wiley:23656549:media:slct201800976:slct201800976-math-0004 values. The ion‐ion, ion‐solvent interactions have also been investigated in terms of the enthalpic interaction parameters, urn:x-wiley:23656549:media:slct201800976:slct201800976-math-0005 and relative apparent molar enthalpy, φL of ionic liquid‐ethyl‐substituted solvent systems.1 aJain, Preeti1 aKumar, Anil uhttps://library.ncl.res.in/content/structural-elucidation-binary-mixtures-emimbf4-and-bmimbf4-ethyl-substituted-solvents02198nas a2200241 4500008004100000022001200041245012300053210006900176260000800245300000700253490000800260520135300268653002501621653001601646653002801662653002001690100002701710700002901737700001601766700001501782700003001797856012901827 2018 eng d a974362600aSubtle interaction between Ag and O 2 : a near ambient pressure UV photoelectron spectroscopy (NAP-UPS) investigations0 aSubtle interaction between Ag and O 2 a near ambient pressure UV cMAR a300 v1303 aThe Ag-O2 interaction, which is at the center-stage of Ag-catalyzed partial oxidation reactions, is studied with NAP-UPS up to 0.2 mbar O2 pressure between 295 and 550 K. Three temperature regimes were identified for distinct Ag-O2 interaction, which are (a) 295–390 K, where mainly dissociative chemisorption of O2 happens, (b) 390–450 K, where diffusion of O-atoms into the sub-surfaces of Ag is prominent, and (c) >450 K, where metastable oxide forms on polycrystalline Ag surfaces. The work function (WF) of Ag changed from 4.95 (≤390 K) to 5.30 eV (390–450 K), and then to 5.7 eV (≥450 K) at 0.1 mbar O2 pressure. Oxygen population in the sub-surfaces imparts crucial modifications to Ag at 390–450 K; it makes the surface to be electron-deficient that relates to the change in the WF of Ag and facilitates the formation of space charge layer on Ag surface. Oxygen adsorbed on such modified Ag-surfaces is electrophilic in nature, and this appears at a higher binding energy in core level XPS than the chemisorbed oxygen on metallic Ag. This is supported by angle-dependent NAP-XPS studies. The subsurface population of oxygen in Ag no longer persists at >410 K when the O2 supply is removed. A high ratio of antibonding/bonding O 2p bands suggests the unique silver-oxygen interaction under the measurement conditions.10aElectronic Structure10aepoxidation10aheterogeneous catalysis10aSurface Science1 aGhosalya, Manoj, Kumar1 aReddy, Kasala, Prabhakar1 aJain, Ruchi1 aRoy, Kanak1 aGopinath, Chinnakonda, S. uhttps://library.ncl.res.in/content/subtle-interaction-between-ag-and-o-2-near-ambient-pressure-uv-photoelectron-spectroscopy01836nas a2200289 4500008004100000022001300041245012500054210006900179260000900248300001200257490000600269520088800275653002901163653001301192653001701205653002801222653002501250653001701275100001601292700001301308700001901321700002201340700001801362700001701380700002101397856012801418 2018 eng d a2053159100aSurface colonized silver nano particles over chitosan poly-electrolyte micro-spheres and their multi-functional behavior0 aSurface colonized silver nano particles over chitosan polyelectr cFEB  a 0250320 v53 ahitosan/tripolyphosphate polyelectrolyte (TPP) microspheres, decorated and surface functionalized with silver nanoparticles (NPs) of average diameter of 15 nm, were synthesized following a simple two-step procedure. These Ag NP-functionalized polyelectrolyte microspheres (Ag-CSPMs) are found to be biocompatible and enhancing the reactive oxygen species in curcumin with excellent anti-bacterial activity for selected Gram-positive and negative bacterial strains, making them much attractive relative to bare surface counterparts; the well-stabilized silver NPs do not form any agglomerations on the surface of the chitosan microspheres. They also show excellent cytotoxic behavior towards MCF7 cell lines, showing a half-maximal inhibitory concentration (IC50) of 32 μg ml-1. Therefore, Ag-CSPMs exhibit multi-functional ability having potential towards theranostics applications.10aantibacterial properties10aChitosan10aCytotoxicity10areactive oxygen species10asilver nanoparticles10atheranostics1 aPrakash, B.1 aAsha, S.1 aAnanth, A., N.1 aVanithakumari, G.1 aOkram, G., S.1 aJose, S., P.1 aRajan, M., A. J. uhttps://library.ncl.res.in/content/surface-colonized-silver-nano-particles-over-chitosan-poly-electrolyte-micro-spheres-and02150nas a2200241 4500008004100000022001300041245012800054210006900182260000900251300001200260490000700272520127600279653002601555653002101581653002701602653002501629653003801654100002101692700002001713700002301733700002101756856013101777 2018 eng d a2210670700aSustainability assessment of brick work for low-cost housing: a comparison between waste based bricks and burnt clay bricks0 aSustainability assessment of brick work for lowcost housing a co cFEB  a396-4060 v373 aManufacturing of bricks, using clay or fly ash, is one of the major contributors to greenhouse gas emissions as their manufacturing involves utilization of coal and cement. To overcome this limitation, alternative construction materials are developed by author using industrial and agro wastes like cotton mill waste, recycled paper mill waste, and rice husk ash. This work aims at performing a sustainability assessment of burnt clay bricks and bricks made of industrial and agro wastes used for brickwork in a low-cost house. The criteria considered for the assessment are economic, environmental, social, and technical aspects for manufacture of bricks and use of different bricks for brickwork. For the evaluation of environmental criterion, a life cycle assessment (LCA) tool is used. Overall sustainability index (SI) is calculated for alternatives based on the various criteria using MIVES approach. The relative SIs of clay and fly ash bricks, were 0.25 and 0.26, respectively. Overall, bricks made of industrial and agro wastes are found more sustainable with the highest SI for cotton waste bricks (0.94). Sensitivity analysis also confirmed that brickwork from waste based bricks is more sustainable compared to brickwork made from clay brick or fly ash brick.10aLife cycle assessment10aLow cost housing10aMulticriteria decision10aSustainability index10aSustainable construction material1 aJoglekar, S., N.1 aKharkar, R., A.1 aMandavgane, S., A.1 aKulkarni, B., D. uhttps://library.ncl.res.in/content/sustainability-assessment-brick-work-low-cost-housing-comparison-between-waste-based-bricks01948nas a2200265 4500008004100000022001100041245013300052210006900185260000800254300001200262490000700274520102200281653002701303653003001330653002601360100001801386700001801404700001901422700002801441700001901469700002001488700002301508700001901531856013201550 2018 eng d a39791100aSynthesis, biological evaluation, and molecular docking study of pyridine clubbed 1,3,4-oxadiazoles as potential antituberculars0 aSynthesis biological evaluation and molecular docking study of p cJAN a524-5400 v483 a

A series of pyridine clubbed 1,3,4-oxadiazole derivatives were efficiently synthesized, characterized by standard spectral techniques and evaluated for their in vitro antitubercular activity against Mycobacterium tuberculosis (MTB) H37Ra and Mycobacterium bovis BCG in active and dormant state using an established methods. Compounds 5a, 5m, and 5t were identified as the most active compounds against MTB. Molecular docking was performed against MTB enoyl-ACP (CoA) reductase (FabI/ENR/InhA) enzyme to predict the binding modes and affinity. The theoretical predictions from molecular docking could establish a link between the observed biological activity and the binding affinity shedding light into specific bonded and non-bonded interactions influencing the activity. The active compounds were studied for cytotoxicity against three cell lines and were found to be non-cytotoxic. Specificity of these compounds was checked by screening them for their antibacterial activity against four bacterial strains.

10aantibacterial activity10aantituberculosis activity10acytotoxicity activity1 aDesai, N., C.1 aTrivedi, Amit1 aSomani, Hardik1 aJadeja, Krunalsingh, A.1 aVaja, Darshita1 aNawale, Laxaman1 aKhedkar, Vijay, M.1 aSarkar, Dhiman uhttps://library.ncl.res.in/content/synthesis-biological-evaluation-and-molecular-docking-study-pyridine-clubbed-134-oxadiazoles01551nas a2200229 4500008004100000022001300041245009800054210006900152300001200221490000700233520081200240653002101052653001501073653001301088653000801101653002001109100001501129700001901144700001501163700001701178856012601195 2018 eng d a1996419600aSynthesis of biomass waste derived activated carbon-NBR composites for automobile application0 aSynthesis of biomass waste derived activated carbonNBR composite a236-2430 v123 a

This paper reports on usability of activated carbon obtained from areca nut shell, coconut shell, and coconut leaves as a filler to prepare NBR based composite for automobile based application. The carbon was activated by phosphoric acid (H3PO4) as dehydrating agent. The stoichiometric ratio of biomass and phosphoric acid was found to be 3:1 for the batch size of 300 g. As compared to commercially available carbon filler, the activated carbon derived from biomass waste responded better to the petrol swelling test. Among three biomass waste sources, namely, areca nut shell, coconut shell, and coconut leaves, activated carbon derived from coconut shell was appeared to be the best for percent swelling and percent deviation in hardness. The results obtained are confirmed by proximate analysis.

10aactivated carbon10acomposites10ahardness10aNBR10aPhosphoric acid1 aJadhav, A.1 aMohanraj, G.T.1 aGokarn, A.1 aMayadevi, S. uhttps://library.ncl.res.in/content/synthesis-biomass-waste-derived-activated-carbon-nbr-composites-automobile-application01853nas a2200229 4500008004100000022001400041245010500055210006900160260000800229300001200237490000700249520105300256653001601309653003501325653002901360653002001389653002201409100002501431700002201456700002101478856012401499 2018 eng d a1066-785700aSynthesis of ecofriendly fluorescent carbon dots and their biomedical and environmental applications0 aSynthesis of ecofriendly fluorescent carbon dots and their biome cJAN a672-6800 v333 a

Green Synthesis of nanoparticles is an emerging field with enormous advantages over conventional synthesis methods. Herein we have reported a green method for the preparation of water soluble polydisperse carbon dots (c-dots) from Cocos nucifera frond pinnae by a modified version of the `single step hydrothermal carbonization'. C-dots having blue emission were obtained with this method and we further evaluated the effect of metal ions interactions on c-dots, as a sharp decrease in photoluminescence was observed. The synthesized c-dots were found bioactive against B.subtilis, M. smegmatis and S. aureus as determined by the well diffusion assay. We also explored nanotheranostic applications of c-dots as biosensor matrix in DNA hybridization sensor for pancreatic cancer and in bioimaging of cancer cells. This study demonstrated that c-dots can be explored for numerous biomedical and environmental applications in a variety of fields owing to the cost effective synthesis, biocompatibility and excellent physico-chemical properties.

10aCarbon dots10adifferential pulse voltammetry10aDNA hybridization sensor10agreen synthesis10aPancreatic Cancer1 aJoshi, Preeti, Nigam1 aMathias, Anjelica1 aMishra, Abhishek uhttps://library.ncl.res.in/content/synthesis-ecofriendly-fluorescent-carbon-dots-and-their-biomedical-and-environmental01581nas a2200193 4500008004100000022001300041245013500054210006900189260000900258490000900267520088300276100001301159700002001172700002001192700001801212700002001230700001701250856012001267 2018 eng d a0094243X00aTemperature dependent electron transport behavior of poly (methyl methacrylate)/silver functionalized reduced graphene oxide films0 aTemperature dependent electron transport behavior of poly methyl cAPR 0 v19423 a

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

1 aAsha, S.1 aAnanth, Nimrodh1 aKumari, Vanitha1 aOkram, G., S.1 aJose, Sujin, P.1 aRajan, Jothi uhttps://library.ncl.res.in/content/temperature-dependent-electron-transport-behavior-poly-methyl-methacrylatesilver01713nas a2200157 4500008004100000022001500041245011900056210006900175260000800244490000700252520112200259100001401381700001501395700001601410856012901426 2018 eng d a 0250-470700aThermal conductivity studies on magnetite nanofluids coated with short-chain and long-chain fatty acid surfactants0 aThermal conductivity studies on magnetite nanofluids coated with cOCT0 v413 aThe effect of the length of surfactant molecules on the surface of the nanoparticles on the thermal conductivity of nanofluids is studied. Magnetite (Fe3O4) nanoparticles of comparable sizes are stabilized with short-chain capric acid (C9H19COOH) and long-chain stearic acid (C17H35COOH) molecules. Thermal conductivity of the two surfactant-coated magnetite nanoparticles dispersed in toluene is measured as a function of the concentration of the particles in the fluids and in the presence of a magnetic field. Studies showed that the critical concentration for thermal conductivity enhancement is lower for stearic-acid-coated fluid as compared with the capric-acid-coated fluid. Comparable enhancement in the thermal conductivity is observed at higher concentrations of the particles. Relatively larger enhancement in the thermal conductivity is observed for the capric-acid-coated fluid in a magnetic field. The difference in the enhancement in the thermal conductivity, depending on the chain length of the surfactant, is explained in terms of the inter-particle magnetic interactions and formation of clusters.1 aLenin, R.1 aDadwal, A.1 aJoy, P., A. uhttps://library.ncl.res.in/content/thermal-conductivity-studies-magnetite-nanofluids-coated-short-chain-and-long-chain-fatty01773nas a2200217 4500008004100000022001400041245014900055210006900204260000800273300001400281490000700295520096500302100002701267700002501294700001901319700002701338700002101365700002201386700002101408856012601429 2018 eng d a1477-052000aTotal synthesis of the potent anti-inflammatory natural product solomonamide A along with structural revision and biological activity evaluation0 aTotal synthesis of the potent antiinflammatory natural product s cDEC a9138-91420 v163 aHerein, we report the total synthesis of solomonamide A along with its structural revision for the first time. The natural product possesses very potent anti-inflammatory activity, and it contains a macrocyclic peptide having four consecutive stereocenters on an unnatural amino acid component. The key features in the present synthesis include the application of an Evans aldol reaction, ligand-free Heck macrocyclization and chemoselective oxidations. The challenging task of fixing the stereochemistry of OH at the C5-position was accomplished with the help of DFT calculations, applying a quantum-mechanical (QM)/NMR combined approach. Biological evaluation in a mouse paw edema model revealed that a low dose (0.3 mg kg(-1)) of the synthesized solomonamide A showed 74% reduction at 6 h, which was comparable to a high dose (10 mg kg(-1)) standard drug dexamethasone effect (75% at 6 h). Thus, we further confirmed the revised structure of solomonamide A.1 aJachak, Gorakhnath, R.1 aAthawale, Paresh, R.1 aAgarwal, Heena1 aBarthwal, Manoj, Kumar1 aLauro, Gianluigi1 aBifulco, Giuseppe1 aReddy, Srinivasa uhttps://library.ncl.res.in/content/total-synthesis-potent-anti-inflammatory-natural-product-solomonamide-along-structural02335nas a2200253 4500008004100000022001200041245015200053210006900205260000900274300001000283490000700293520141700300653002501717653001301742653002301755653003401778100002601812700002201838700002401860700002401884700002301908700002001931856013001951 2018 eng d a965174800aTripeptides derived from reactive centre loop of potato type II protease inhibitors preferentially inhibit midgut proteases of Helicoverpa armigera0 aTripeptides derived from reactive centre loop of potato type II  cAPR  a17-250 v953 a

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

10aHelicoverpa armigera10aProtease10aprotease inhibitor10aReactive centre loop peptides1 aSaikhedkar, Nidhi, S.1 aJoshi, Rakesh, S.1 aBhoite, Ashwini, S.1 aMohandasan, Radhika1 aYadav, Amit, Kumar1 aGiri, Ashok, P. uhttps://library.ncl.res.in/content/tripeptides-derived-reactive-centre-loop-potato-type-ii-protease-inhibitors-preferentially01300nas a2200205 4500008004100000245017600041210006900217260000800286300001400294490000700308520050000315100002400815700002300839700001600862700002400878700002200902700002400924700001900948856012700967 2018 eng d00aUnravelling the nucleophilicity of buten tides for 1,6-conjugate addition to p-quinone methides: a direct access to diversely substituted butenolide-derived diarylmethanes0 aUnravelling the nucleophilicity of buten tides for 16conjugate a cMAY a2787-27910 v203 aA Lewis acid catalyzed regioselective C-C bond is constructed through beta-addition of deconjugated butenolides with p-quinone methides in a 1,6-conjugate addition manner. Interestingly, Lewis acid catalyzed vinylogous Mukaiyama-Michael reaction of silyloxyfurans with p-QMs proceeds selectively through the alpha or gamma position exclusively. The reaction is mild with broad substrate scope, thus allowing easy access to a wide range of bis-arylated alpha-/beta-/gamma-substituted butenolides.1 aSharma, Brijesh, M.1 aShinde, Dinesh, R.1 aJain, Ruchi1 aBegari, Eeshwaraiah1 aSatbhaiya, Shruti1 aGonnade, Rajesh, G.1 aKumar, Pradeep uhttps://library.ncl.res.in/content/unravelling-nucleophilicity-buten-tides-16-conjugate-addition-p-quinone-methides-direct01819nas a2200145 4500008004100000245015100041210007100192260000800263520120200271100001501473700001501488700001601503700001601519856013801535 2018 eng d00aVapour–liquid equilibrium study of binary mixtures of aniline with isopropanol, n -butanol and ethylene glycol at the local atmospheric pressure0 aVapour–liquid equilibrium study of binary mixtures of aniline wi cOCT3 aThe present work analyses the vapour–liquid equilibrium (VLE) behaviour of the binary systems of aniline with isopropanol, n-butanol and ethylene glycol. The isobaric VLE data have been generated at the local atmospheric pressure of 96.15 kPa for all the binary systems of aniline. A dynamic type vapour–liquid circulating VLE still was used for generating the data. Calibration curves were generated using mole fraction and refractive index data for all pairs for composition measurement. The VLE data, generated in T-x,y form for all pairs, were found thermodynamically consistent through the Herington area test and the mean absolute deviation test. Activity coefficient models, Wilson, NRTL and UNIQUAC, were fitted to the data to estimate binary interaction parameters using an objective function of minimising the deviation between the experimental and the calculated total pressure and vapour composition. The experimental data were compared with the model predictions with the estimated parameters and the model predictions were found appropriate. The binary system of aniline and ethylene glycol was found to exhibit azeotropic behaviour at 0.61 mole fraction aniline and 445.1 K.1 aMali, P.K.1 aMali, N.A.1 aYadav, S.S.1 aJoshi, S.S. uhttps://library.ncl.res.in/content/vapour%E2%80%93liquid-equilibrium-study-binary-mixtures-aniline-isopropanol-n-butanol-and-ethylene01559nas a2200193 4500008004100000022001400041245012400055210006900179260000800248300001400256490000700270520084900277100002401126700002501150700002401175700002101199700002501220856012001245 2018 eng d a1144-054600aX-ray crystal structures and anti-breast cancer property of 3-tert-butoxycarbonyl-2-arylthiazolidine-4-carboxylic acids0 aXray crystal structures and antibreast cancer property of 3tertb cJAN a1078-10860 v423 a

Diastereomeric `2RS, 4R'-2-arylthiazolidine-4-carboxylic acids (ATCAs) were synthesized and their resolution to chiraly pure N-BOC derivatives was attempted by column chromatography. The absolute stereochemistry of the resolved compounds was ascertained by X-ray single crystal structures. Further application of the synthesized compounds was studied for their in vitro anti-breast cancer activity against MCF7 cell line using DOX as a standard by MTT assay method. Cell morphology analysis was carried out by fluorescence microscopy. The compounds containing `2S' absolute configuration in thiazolidine ring and presence of 2-NO2, 2,6-Cl groups on `2R'-aryl substituent showed significant antibreast cancer activity where some of the compounds were found to be more active than DOX in terms of induced apoptosis mode of MCF7 cell death.

1 aJagtap, Rohidas, M.1 aThorat, Shridhar, H.1 aGonnade, Rajesh, G.1 aKhan, Ayesha, A.1 aPardeshi, Satish, K. uhttps://library.ncl.res.in/content/x-ray-crystal-structures-and-anti-breast-cancer-property-3-tert-butoxycarbonyl-201062nas a2200193 4500008004100000022001400041245016800055210006900223260000900292300001400301490000700315520030700322100002400629700002000653700002500673700002400698700001500722856013100737 2019 eng d a1523-706000a1,6-Conjugate-addition-induced [2+1] annulation of para-quinone methides and pyrazolones: synthesis of bis-spiro compounds with contiguous quaternary spiro-centers0 a16Conjugateadditioninduced 21 annulation of paraquinone methides cOCT  a7736-77400 v213 a

A diastereoselective formal 1,6-conjugate-addition-mediated [2 + 1] annulation reaction using p-quinone methides and pyrazolones has been described. The corresponding bis-spiro[cyclohexadienone-cyclopropane-pyrazolone] compounds were obtained in very good yield under mild reaction conditions.

1 aKale, Someshwar, B.1 aJori, Popat, K.1 aThatikonda, Thanusha1 aGonnade, Rajesh, G.1 aDas, Utpal uhttps://library.ncl.res.in/content/16-conjugate-addition-induced-21-annulation-para-quinone-methides-and-pyrazolones-synthesis01318nas a2200253 4500008004100000022001400041245006100055210005700116260000900173300001400182490000700196520059700203653000600800653001700806653002400823653001700847653001300864653002400877100001400901700001500915700002700930700002200957856008500979 2019 eng d a1861-472800a[8+3]-cycloaddition of tropones with azaoxyallyl cations0 a83cycloaddition of tropones with azaoxyallyl cations cDEC  a4748-47530 v143 a

Although azaoxyallyl cations are widely used as 1,3-dipoles for various cycloaddition reactions leading to nitrogen-containing heterocycles, their application in higher-order cycloaddition reaction remains scarce. Herein, we present the [8+3]-cycloaddition reaction of tropones with in situ generated azaoxyallyl cations allowing the one-step construction of cycloheptatriene-fused 1,4-oxazinones in moderate to good yields. This base-promoted new carbon-oxygen and carbon-nitrogen bond-forming reaction takes place under mild conditions in the absence of transition metal catalysts.

10a110a4-oxazinones10aazaoxyallyl cations10aheterocycles10atropones10a[8+3] cycloaddition1 aRoy, Tony1 aJacob, Anu1 aBhattacharjee, Subrata1 aBiju, Akkattu, T. uhttps://library.ncl.res.in/content/83-cycloaddition-tropones-azaoxyallyl-cations01405nas a2200229 4500008004100000022001400041245006500055210006500120260000800185520069100193653001600884653001800900653001700918653001600935653002000951100002700971700002500998700002101023700001801044700002101062856009201083 2019 eng d a1861-472800aAccess to a stereoisomer library of solomonamide macrocycles0 aAccess to a stereoisomer library of solomonamide macrocycles cOCT3 a

In an attempt towards understanding stereo-structure activity relationships (SSARs), we have prepared eight possible stereoisomers of solomonamide macrocycles, in particular, by changing the stereochemical pattern of non-peptide fragment AHMOA. Here, we have demonstrated different ways to construct three contiguous chiral centers present in solomonamide B macrocycle using substrate/reagent-controlled methods. These methods involve Brown crotylation, NHK reaction and Evans aldol addition as key steps to synthesize key non-peptide fragment. Further, these non-peptide fragments were converted to their corresponding macrocycles via ligand-free intramolecular Heck reaction.

10aCrotylation10aHeck reaction10aInflammation10aMacrocycles10aStereochemistry1 aJachak, Gorakhnath, R.1 aAthawale, Paresh, R.1 aChoudhury, Rahul1 aKashinath, K.1 aReddy, Srinivasa uhttps://library.ncl.res.in/content/access-stereoisomer-library-solomonamide-macrocycles01231nas a2200193 4500008004100000022001400041245013800055210006900193260000900262300001400271490000700285520050400292100002300796700001800819700002300837700002000860700002600880856013100906 2019 eng d a1523-706000aAllenoate prenucleophiles: a triply diastereoselective approach to beta-hydroxy esters containing all-carbon alpha-quaternary centers0 aAllenoate prenucleophiles a triply diastereoselective approach t cOCT  a7952-79550 v213 a

Allenyl esters activated by titanium(IV) underwent additions to a wide range of aldehydes in high regio- and diastereoselectivities leading to products containing an all carbon quaternary center bearing an alpha-vinyl group that was installed with high selectivity for the Z-geometry. An aldol product was also converted to an indanone offering a new route to this important compound class. Product triple diastereoselectivity has been rationalized using a concerted transition-state model.

1 aMaki, Samantha, L.1 aMaity, Pradip1 aDougherty, Shannon1 aJohns, Jennifer1 aLepore, Salvatore, D. uhttps://library.ncl.res.in/content/allenoate-prenucleophiles-triply-diastereoselective-approach-beta-hydroxy-esters-containing02058nas a2200217 4500008004100000022001400041245010900055210006900164260000800233300001000241490000800251520131600259653001301575653002501588653001401613653001801627100002201645700002101667700002301688856012901711 2019 eng d a0021-979700aAlternating electric-field-induced assembly of binary mixtures of soft repulsive ionic microgel colloids0 aAlternating electricfieldinduced assembly of binary mixtures of  cMAY a88-950 v5443 a

An external alternating electric field is used to study the assembly of a binary mixture of Poly(N-isopro pylacrylamide-co-acrylic acid) microgels in their swollen form at hydrodynamic size ratio 2:1 under deprotonated state. The AC field experiments were carried out at a fixed frequency of 100 kHz in the fluid regime for three number density ratios 1:3, 1:1 and 3:1 of big-to-small microgels using a confocal microscope. Strings with different types of co-assembly structures such as buckled, ring, flame and sandwich have been observed at low and intermediate field strengths at ratio 1:3, 1:1. In buckled and ring type, one or two small particles sit at the contact of two big particles and in the flame type, small particles arrange like a cone at end of the string. In the sandwich structure, several double small particle layers lie in between big particles. At high field strength, aggregation of strings and a phase separation into individual aggregates of strings from both big and small microgels have been observed. At higher ratio 3:1, the string formation is mostly dominated by big particles. Our experimental results are discussed with the recent simulation and experimental works on AC field induced structures in binary hard sphere mixtures. (C) 2019 Elsevier Inc. All rights reserved.

10aassembly10adipolar interactions10aMicrogels10aSoft colloids1 aJathavedan, Kiran1 aBhat, Suresh, K.1 aMohanty, Priti, S. uhttps://library.ncl.res.in/content/alternating-electric-field-induced-assembly-binary-mixtures-soft-repulsive-ionic-microgel01562nas a2200253 4500008004100000022001400041245013400055210006900189260000800258300001400266490000800280520068000288653001800968653002100986653001801007653001701025653002901042653001701071100002401088700002501112700002401137700002101161856012601182 2019 eng d a1011-372X00aAmino acid amide based ionic liquid as an efficient organo-catalyst for solvent-free knoevenagel condensation at room temperature0 aAmino acid amide based ionic liquid as an efficient organocataly cSEP a2368-23750 v1493 a

Ionic liquids of amino acid amide were synthesized and used as an efficient catalyst for solvent-free Knoevenagel condensation. Synthesized ionic liquids are an environmentally benign, inexpensive, metal free and plays the dual role of solvent as well as an efficient catalyst for Knoevenagel condensation. A wide range of aliphatic, aromatic and heteroaromatic aldehydes easily undergo condensation with malononitrile and ethyl cyanoacetate. The reaction proceeds at room temperature without using any organic solvent and is very fast with good to excellent yield. Additionally, the catalyst is easily separable and recyclable without loss of activity. [GRAPHICS] .

10aAcrylonitrile10aAmino acid amide10aCyanoacrylate10aIonic liquid10aKnoevenagel condensation10aSolvent-free1 aBurate, Pralhad, A.1 aJavle, Balasaheb, R.1 aDesale, Pranjal, H.1 aKinage, Anil, K. uhttps://library.ncl.res.in/content/amino-acid-amide-based-ionic-liquid-efficient-organo-catalyst-solvent-free-knoevenagel01409nas a2200301 4500008004100000022001400041245013700055210006900192260000900261300001400270490000600284520050300290653001000793653001100803653001100814653001500825653001400840653000900854653001800863653001400881653001900895653001300914653001000927100001300937700001800950700001800968856012100986 2019 eng d a2365-654900aAu based Ni and Co bimetallic core shell nanocatalysts for room temperature selective decomposition of hydrous hydrazine to hydrogen0 aAu based Ni and Co bimetallic core shell nanocatalysts for room  cMAR  a2734-27400 v43 a

Nickel and Cobalt bimetallic catalysts with Au as core metal has been synthesized and demonstrated for hydrazine decomposition reaction for producing hydrogen. Gold-cobalt and gold nickel bimetallic system belonging to the class of strained structures with high lattice mismatch of approximately 14% are demonstrated for synergistic effects atypical of monometallic counterparts for the selective decomposition of hydrous hydrazine to H-2 with N-2 as the other product at room temperature.

10a(HDR)10aAu@Co.10aAu@Ni.10aBimetallic10acatalyst.10acore10adecomposition10aHydrazine10ananoparticles.10areaction10ashell1 aJain, P.1 aAnila, K., A.1 aVinod, C., P. uhttps://library.ncl.res.in/content/au-based-ni-and-co-bimetallic-core-shell-nanocatalysts-room-temperature-selective02200nas a2200241 4500008004100000245017100041210006900212260000800281300001000289490000800299520133400307100002001641700001801661700001901679700001901698700002001717700001901737700001901756700001701775700001801792700001801810856013001828 2019 eng d00aBiosynthesized Co-doped TiO2 nanoparticles based anode for lithium-ion battery application and investigating the influence of dopant concentrations on its performance0 aBiosynthesized Codoped TiO2 nanoparticles based anode for lithiu cJUN a44-500 v1673 aTiO2 is a good alternative anode material for lithium-ion battery application because of its incomparable high structural stability and safety during the charge/discharge cycles. However, the low intrinsic conductivity of TiO2 has been a limiting factor affecting its cycling and rate capability performance. Here in this work, we present Co-doped TiO2 nanoparticles based anode with good reversibility, cycling stability and rate capability performance for its envisaged application in lithium-ion battery. The Co-doped TiO2 nanoparticles with different Co concentrations (3%, 5%, and 7%) are synthesized using simple and economic biomediated green approach, wherein TiCl4 and Co precursors are allowed to react in Bengal gram bean extract containing biomolecules which act as natural capping agents to control the size of nanoparticles. Among the pure TiO2 and different Co-doped TiO2 samples, the 7% Co-doped TiO2 anode show the highest capacity of 167 mAh g−1 (88.3%) after 100 cycles at the 0.5C current density. The Co-doped TiO2 shows higher and stable coulombic efficiency up to 100 GCD cycles indicating good reversibility. Based on the results, it is expected that the Co-doped TiO2 nanoparticles might be contributing to the enhanced electronic conductivity providing an efficient pathway for fast electron transfer.1 aKashale, A., A.1 aRasal, A., S.1 aKamble, G., P.1 aIngole, V., H.1 aDwivedi, P., K.1 aRajoba, S., J.1 aJadhav, L., D.1 aLing, Y., C.1 aChang, J., Y.1 aGhule, A., V. uhttps://library.ncl.res.in/content/biosynthesized-co-doped-tio2-nanoparticles-based-anode-lithium-ion-battery-application-and02296nas a2200253 4500008004100000022001400041245013400055210006900189260000800258300001200266490000800278520141400286653002001700653001701720653002301737653001901760653001901779100002301798700001801821700001901839700003001858700002301888856013101911 2019 eng d a0169-433200aCadmium sulfide nanostructures: influence of morphology on the photocatalytic degradation of erioglaucine and hydrogen generation0 aCadmium sulfide nanostructures influence of morphology on the ph cJUL a696-7050 v4833 a

Size and shape of inorganic materials are known to have great effects on their physical and chemical properties. Here, for the first time we report the visible light driven photocatalytic degradation of erioglaucine - a stable organic dye molecule in the presence of chemically synthesized nanoscale CdS with 1D (nanorods), 2D (nanosheets) and 3D (hierarchical) morphology. Visible light driven photocatalytic degradation efficiency of both 1D and 3D CdS in the removal of erioglaucine are identical. Surprisingly, with 5 min of sonication, the highly crystalline 3D CdS stacked with many thin nanowires containing numerous active surface sites exhibited fourfold enhanced photodegradation efficiency in comparison to 1D and 2D CdS. Scavenger studies revealed that electrons and superoxide radicals are primary reactive species involved in the photodegradation of erioglaucine, while cyclic photodegradation studies revealed the good stability of 3D CdS against photocorrosion. Further, the photocatalytic hydrogen evolution studies also revealed the excellent activity of 3D CdS in comparison to 1D and 2D CdS. Thus, we find that the morphology indeed influences the photocatalytic activity. These results reveal that 3D CdS nanostructures investigated in the present work are efficient photocatalysts that could be fine-tuned for both environmental remediation and hydrogen generation applications.

10aCadmium sulfide10aErioglaucine10aHydrogen evolution10aNanostructures10aPhotocatalysis1 aShenoy, Sulakshana1 aJang, Eunyong1 aPark, Tae, Joo1 aGopinath, Chinnakonda, S.1 aSridharan, Kishore uhttps://library.ncl.res.in/content/cadmium-sulfide-nanostructures-influence-morphology-photocatalytic-degradation-erioglaucine01530nas a2200157 4500008004100000022001400041245010900055210006900164260000800233300001600241490000700257520094700264100001801211700001701229856012601246 2019 eng d a1463-907600aCan the solvent enhance the rate of chemical reactions through C-H/pi interactions? insights from theory0 aCan the solvent enhance the rate of chemical reactions through C cJUL a14821-148310 v213 a

The current computational study with density functional theory (DFT) shows that the rate of chemical reactions can be influenced through non-covalent C-H/p interactions between substrates and the solvent. It is shown that intramolecular carbon-carbon interaction and CO2 activation by a low valent silicon complex are both favourably affected by the explicit presence of the solvent toluene, due to C-H/p interactions between toluene and the silicon complex. Furthermore, ab initio molecular dynamics (AIMD) simulations demonstrate that even if the C-H/p interacting solvent molecule is displaced from the complex, another would quickly take its place, thus maintaining the interaction. Hence, the current work shows how non-covalent interactions between solvent and substrate can enhance the rate of the reaction and expands our understanding of the role and influence of the solvent in effecting important chemical transformations.

1 aJain, Shailja1 aVanka, Kumar uhttps://library.ncl.res.in/content/can-solvent-enhance-rate-chemical-reactions-through-c-hpi-interactions-insights-theory01433nas a2200181 4500008004100000022001400041245007000055210006800125260000800193520083500201653002401036653002601060653001101086653001301097100002201110700002001132856009901152 2019 eng d a2193-580700aC-H functionalization of indoles by 3d transition-metal catalysis0 aCH functionalization of indoles by 3d transitionmetal catalysis cDEC3 a

Over the past decade, the use of 3d transition metal for the regioselective C-H bond functionalization of indoles has significantly increased. Particularly, advances in manganese, iron, cobalt, nickel and copper catalysis have demonstrated the selective C(2)-H and C(3)-H arylation, alkenylation, alkynylation and alkylation to a greater extent. Similarly, the C-O and C-N bond-forming reactions are manifested via direct C-H bond activation by these earth-abundant metals. The emergence of 3d metals in selective functionalization of the biologically relevant indoles and related heteroarenes would make this protocol more attractive for practical applications. Herein, we provide a brief overview of 3d transition metal-catalyzed (mostly Mn, Fe, Co, Ni and Cu) C-H functionalization of indoles and related heteroarenes.

10a3d transition metal10aC-H functionalization10aIndole10aindoline1 aJagtap, Rahul, A.1 aPunji, Benudhar uhttps://library.ncl.res.in/content/c-h-functionalization-indoles-3d-transition-metal-catalysis01991nas a2200265 4500008004100000022001400041245012300055210006900178260000900247300001400256490000700270520109400277653004101371653002101412653001601433653000801449653002001457100001601477700001101493700002801504700002001532700002401552700001801576856013101594 2019 eng d a1867-388000aCubic palladium nanorattles with solid octahedron gold core for catalysis and alkaline membrane fuel cell applications0 aCubic palladium nanorattles with solid octahedron gold core for  cSEP  a4383-43920 v113 a

Herein, we report the synthesis of palladium nanorattles (Au-Pd NRTs) comprising of a gold octahedral core caged within a thin porous cubic palladium shell. The introduction of core-shell and porous architecture was realized by combining seed mediated and galvanic replacement reaction techniques. Next, we examined the catalytic efficiency of the nanocatalyst in comparison with solid palladium nanocube (Pd-NC) of similar size for the degradation of p-nitrophenol and organic dyes. The rate constant of Au-Pd NRTs was found nearly 12 times higher than the Pd-NCs. Further, we exploited our catalyst for electrochemical oxygen reduction reaction (ORR) and observed its high intrinsic ORR activity. Compared with commercialized Pt/C, the Au-Pd NRT displayed nearly comparable onset and half-wave potential values and excellent durability upon potential cycling. The system level validation in a single-cell mode of alkaline exchange membrane fuel cell also confirms the efficiency of the present catalyst to serve as a potential cathode catalyst for realistic device applications.

10aalkaline exchange membrane fuel cell10aelectrocatalysis10ananorattles10aORR10aPd nanoparticle1 aSingh, Prem1 aSonika1 aGangadharan, Pranav, K.1 aKhan, Ziyauddin1 aKurungot, Sreekumar1 aJaiswal, Amit uhttps://library.ncl.res.in/content/cubic-palladium-nanorattles-solid-octahedron-gold-core-catalysis-and-alkaline-membrane-fuel02441nas a2200265 4500008004100000022001400041245017700055210006900232260000900301300001600310490000600326520144600332653002401778653002201802653001701824653003101841653003501872100002401907700002201931700002401953700002001977700002201997700002502019856013102044 2019 eng d a2365-654900aCyanuric-chloride-mediated synthesis of 2-Aryl-3-tert-butoxycarbonyl-thiazolidine-4-carboxylic acid anilides: mechanistic, X-ray crystal structures and cytotoxicity studies0 aCyanuricchloridemediated synthesis of 2Aryl3tertbutoxycarbonylth cNOV  a12534-125460 v43 a

The `2R,4R'-2-aryl thiazolidine-4-carboxylic acid anilides (ATCAAs) were synthesized using cyanuric chloride (CC) as a clean and substoichiometric acid-amine coupling agent under optimized reaction conditions. The diesterphenol intermediate based mechanism is proposed and supported by spectral characterization of the intermediate. The single crystal X-ray structures of acid substrate (2R,4R)-3-(tert-butoxycarbonyl)-2-(2-methoxyphenyl)thiazolidine-4-carbox ylic acid (3 a) and anilides (R)-tert-butyl 4-(2-fluorophenylcarbamoyl)thiazolidine-3-carboxylate (4 b), (2R,4R)-tert-butyl 2-(2,6-dichlorophenyl)-4-(m-tolylcarbamoyl)thiazolidine-3-carboxylate (6 b) confirmed the formation of chiral anilides. The synthesized library of anilides [(R)-tert-butyl 4-Aryl thiazolidine-3-carboxylate and (2R,4R)-tert-butyl 2-Aryl-4-Aryl thiazolidine-3-carboxylate] 4 a-6 f was screened for their in vitro anti cancer, neuronal and neuroprotective studies. The anilides 4 b, 4 g, 5 d, 5 h, 6 c and 6 f (where the aryl=2-fluorophenylcarbamoyl, 4-chlorophenylcarbamoyl, 2-methoxyphenyl, 2,5-dichlorophenylcarbamoyl, 2,6-dichlorophenyl, 4-chlorophenylcarbamoyl respectively)were found to be less cytotoxic towards N2 A, SHSY-5Y neuronal cell lines in their differentiated and undifferentiated forms, and also exhibited dose dependant anti-inflammatory properties for a possible identification towards neurodegenerative and inflammatory disorders.

10aAcid-amine coupling10aCyanuric chloride10aCytotoxicity10aMechanistic investigations10aSingle crystal x-ray structure1 aJagtap, Rohidas, M.1 aShaikh, Samir, R.1 aGonnade, Rajesh, G.1 aRaheem, Shabnam1 aRizvi, Masood, A.1 aPardeshi, Satish, K. uhttps://library.ncl.res.in/content/cyanuric-chloride-mediated-synthesis-2-aryl-3-tert-butoxycarbonyl-thiazolidine-4-carboxylic01878nas a2200277 4500008004100000022001400041245011600055210007100171260000800242300001400250490000700264520099100271653001901262653001501281653002801296653002601324653001101350100001301361700001401374700001601388700001401404700001301418700001401431700001601445856013901461 2019 eng d a1433-785100aC‐F bond activation by saturated NHC: mesoionic compound formation and its unprecedented adduct with B(C6F5)30 aC‐F bond activation by saturated NHC mesoionic compound formatio cFEB a2804-28080 v583 a

The reaction of SIPr, [1,3‐bis(2,6‐diisopropylphenyl)‐imidazolin‐2‐ylidene] (1), with C6F6 led to the formation of an unprecedented mesoionic compound (2). The formation of 2 is made accessible by deprotonation of the SIPr backbone with simultaneous elimination of HF. The C−F bond para to the imidazolium ring in 2 is only of 1.258(4) Å, which is the one of the shortest structurally authenticated C−F bonds known to date. The liberation of HF during the reaction is unequivocally proved by the addition of one more equivalent of SIPr, which leads to the imidazolium salt with the HF2− anion. To functionalize 2, the latter reacted with B(C6F5)3 to give an unusual donor–acceptor compound, where the fluoride atom from the C6F5 moiety coordinates to B(C6F5)3 and the carbanion moiety remains unaffected. Such coordination susceptibility of the fluoride atom of a nonmetallic system to a main‐group Lewis acid (Fnon‐metal→BR3) is quite unprecedented.

10aC-F activation10acarbanions10aN-heterocyclic carbenes10astructure elucidation10aYlides1 aPait, M.1 aKundu, G.1 aTothadi, S.1 aKarak, S.1 aJain, S.1 aVanka, K.1 aSen, S., S. uhttps://library.ncl.res.in/content/c%E2%80%90f-bond-activation-saturated-nhc-mesoionic-compound-formation-and-its-unprecedented-adduct02437nas a2200253 4500008004100000022001400041245009100055210006900146260000900215300001200224490000700236520160100243653001701844653002001861653001701881653001501898653002001913100002501933700002301958700002101981700003002002700002802032856012302060 2019 eng d a0887-624X00aDesign and synthesis of aromatic polyesters bearing pendant clickable maleimide groups0 aDesign and synthesis of aromatic polyesters bearing pendant clic cMAR  a630-6400 v573 a

A bisphenol bearing pendant maleimide group, namely, N-maleimidoethyl-3, 3-bis(4-hydroxyphenyl)-1-isobenzopyrrolidone (PPH-MA) was synthesized starting from phenolphthalein. Aromatic (co)polyesters bearing pendant maleimide groups were synthesized from PPH-MA and aromatic diacid chlorides, namely, isophthaloyl chloride (IPC), terephthaloyl chloride (TPC), and 50:50 mol % mixture of IPC and TPC by low temperature solution polycondensation technique. Copolyesters were also synthesized by polycondensation of different molar proportions of PPH-MA and bisphenol A with IPC. Inherent viscosities and number-average molecular weights of aromatic (co)polyesters were in the range of 0.52-0.97 dL/g and 20,200-32,800 g/mol, respectively indicating formation of medium to reasonably high-molecular-weight polymers. C-13 NMR spectral analysis of copolyesters revealed the formation of random copolymers. The 10% weight loss temperature of (co)polyesters was found in the range 470-484 degrees C, indicating their good thermal stability. A selected aromatic polyester bearing pendant maleimide groups was chemically modified via thiol-maleimide Michael addition reaction with two representative thiol compounds, namely, 4-chlorothiophenol and 1-adamantanethiol to yield post-modified polymers in a quantitative manner. Additionally, it was demonstrated that polyester containing pendant maleimide groups could be used to form insoluble crosslinked gel in the presence of a multifunctional thiol crosslinker. (c) 2018 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2019, 57, 630-640

10acrosslinking10amaleimide group10amodification10apolyesters10athiol-maleimide1 aNagane, Samadhan, S.1 aKuhire, Sachin, S.1 aJadhav, Uday, A.1 aDhanmane, Sushilkumar, A.1 aWadgaonkar, Prakash, P. uhttps://library.ncl.res.in/content/design-and-synthesis-aromatic-polyesters-bearing-pendant-clickable-maleimide-groups04077nas a2200217 4500008004100000245011000041210007100151260000800222300001300230490000700243520335000250100001503600700001303615700001103628700001603639700001703655700001603672700001503688700001503703856014103718 2019 eng d00aDesigning multifunctional MOFs using an inorganic motif [Cu3(μ3-OH)(μ-Pyz)] as SBU and their properties0 aDesigning multifunctional MOFs using an inorganic motif Cu3μ3OHμ cFEB a992-10040 v193 a

In a continuation of our interest in pyrazole-based multifunctional metal-organic frameworks (MOFs), we report herein the construction of a series of Cu(II) MOFs using pyrazole and various 5-substituted isophthalic acids. The central theme is to generate MOFs using the crystal engineering strategy of spacer and node; however, for the node we have introduced a well-known inorganic motif, a [Cu-3(mu(3)-OH)(mu-Pyz)(3)] unit. The appearance of the SBU in five MOFs confirms the robustness and reproducibility of the motif with some interesting structures of various dimensionality ranging from 1D helical and 2D herringbone grid to a complex 3D framework. The deployment of bent acids brings chirality via helicity in the system, as further confirmed by solid-state CD spectra. A detailed investigation of the porous MOFs reveals their importance as zeolite analogues for environment remediation. MOF-1-MOF-5 show some interesting photodegradation of harmful organic dyes. MOF-4 and MOF-5 show impressive selective CO2 gas sorption properties. Furthermore, magnetic properties associated with the trinuclear and hexanuclear SBUs of MOF-1 and MOF-3-MOF-5 have also been investigated.
 

1 aAkhtar, S.1 aBala, S.1 aDe, A.1 aDas, K., S.1 aAdhikary, A.1 aJyotsna, S.1 aPoddar, P.1 aMondal, R. uhttps://library.ncl.res.in/content/designing-multifunctional-mofs-using-inorganic-motif-cu3%CE%BC3-oh%CE%BC-pyz-sbu-and-their-properties01113nas a2200193 4500008004100000022001400041245012400055210006900179260000800248300001400256490000700270520042200277100001700699700002000716700001800736700001700754700002000771856012800791 2019 eng d a1477-052000aDiastereoselective multi-component tandem condensation: synthesis of 2-amino-4-(2-furanone)-4H-chromene-3-carbonitriles0 aDiastereoselective multicomponent tandem condensation synthesis  cOCT a8853-88570 v173 a

A general strategy for a one-pot stereoselective synthesis of 2-amino-4-(2-furanone)-4H-chromene-3-carbonitriles by reaction of salicylaldehyde, malononitrile and butenolides via a tandem Knoevenagel/Pinner/vinylogous Michael condensation is presented. The beta,gamma-butenolides gave a syn-selective MCR adduct with a dr up to 11.5 : 1. The mechanistic insight into the MCR was obtained by DFT calculations.

1 aGupta, Vijay1 aSahu, Debashish1 aJain, Shailja1 aVanka, Kumar1 aSingh, Ravi, P. uhttps://library.ncl.res.in/content/diastereoselective-multi-component-tandem-condensation-synthesis-2-amino-4-2-furanone-4h02200nas a2200253 4500008004100000022001400041245010400055210006900159260000800228300001200236490000800248520136000256653003201616653003101648653000901679653002301688653002101711653000801732100002101740700002101761700002001782700001801802856012601820 2019 eng d a0022-263100aDifferential dynamics underlying the Gln27Glu population variant of the beta(2)-adrenergic receptor0 aDifferential dynamics underlying the Gln27Glu population variant cOCT a499-5070 v2523 a

The beta (2)-adrenergic receptor (beta (2)AR) is a membrane-bound G-protein-coupled receptor and an important drug target for asthma. Clinical studies report that the population variant Gln27Glu is associated with a differential response to common asthma drugs, such as albuterol, isoproterenol and terbutaline. Interestingly, the 27th amino acid is positioned on the N-terminal region that is the most flexible and consequently the least studied part of the receptor. In this study, we probe the molecular origin of the differential drug binding by performing structural modeling and simulations of the wild-type (Gln) and variant (Glu) receptors followed by ensemble docking with the ligands, albuterol, isoproterenol and terbutaline. In line with clinical studies, the ligands were observed to interact preferentially with the Glu variant. Our results indicate that the Glu residue at the 27th position perturbs the network of electrostatic interactions that connects the N-terminal region to the binding site in the wild-type receptor. As a result, the Glu variant is observed to bind better to the three ligands tested in this study. Our study provides a structural basis to explain the variable drug response associated with the 27th position polymorphism in the beta (2)AR and is a starting step to identify genotype-specific therapeutics.

10abeta(2)-Adrenergic receptor10aG-protein-coupled receptor10aGPCR10amolecular dynamics10aPharmacogenetics10aSNP1 aBhosale, Sumedha1 aNikte, Siddhanta1 aSengupta, Durba1 aJoshi, Manali uhttps://library.ncl.res.in/content/differential-dynamics-underlying-gln27glu-population-variant-beta2-adrenergic-receptor01636nas a2200277 4500008004100000022001400041245009300055210006900148260000900217300001600226490000600242520073400248653001300982653001200995653002101007653001301028653001301041100002601054700003001080700001801110700003501128700002001163700002401183700002801207856012301235 2019 eng d a2365-654900aDimedone-based rigid organic scaffold for organizing symmetrical helical peptide chains.0 aDimedonebased rigid organic scaffold for organizing symmetrical  cOCT  a11518-115220 v43 a

We describe herein design, synthesis and conformational investigations of polypeptides attached on a rigid dimedone template. Two identical peptide chains are attached on a single carbon containing dimedone as a scaffold. Dimedone assists in controlling the secondary interactions through strong intramolecular helical C-12 and C-15 membered bifurcated hydrogen bonding on both the peptide chains along with propagating the helical architecture of the peptide chains attached. There exists a C-6 hydrogen bonding for the single stranded peptides attached to dimedone. Extensive structural investigations involving single crystal X-ray diffraction, solution-state NMR and CD studies of oligopeptides have been undertaken.

10adimedone10aHelical10ahydrogen bonding10aPeptides10atemplate1 aMadica, Krishnaprasad1 aLakshmi, Jerripothula, K.1 aMadhu, Suresh1 aNadimpally, Krishna, Chaitanya1 aGonnade, Rajesh1 aJagadeesh, Bharatam1 aSanjayan, Gangadhar, J. uhttps://library.ncl.res.in/content/dimedone-based-rigid-organic-scaffold-organizing-symmetrical-helical-peptide-chains02229nas a2200181 4500008004100000022001400041245011500055210006900170260000800239300001400247490000600261520154900267100002801816700002901844700001901873700003001892856012501922 2019 eng d a2050-748800aDirect solar-to-hydrogen generation by quasi-artificial leaf approach: possibly scalable and economical device0 aDirect solartohydrogen generation by quasiartificial leaf approa cFEB a3179-31890 v73 a

Often, a disadvantage in one area of science may become an advantage in another area. In contrast, a successful concept in one area could work for a complementary area of research too. These two philosophies have been successfully used for solar hydrogen generation and they underscore the necessity to connect relevant concepts. We, herein, report a quasi-artificial leaf (QuAL) device in a wireless configuration with a TiO2/Mn-CdS composite and NiCu as a co-catalyst for possibly scalable as well as commercially viable solar hydrogen production under one sun conditions. The device works at no applied potential and generates 10.5 mL h(-1) (16 mL h(-1)) H-2 with Ni5Cu2.5 alloy (Pt) as a co-catalyst, which corresponds to a power conversion efficiency (PCE) of 4.8% (7.3%). The significant resemblance of NiCu alloy to Pt in terms of its electrochemical activity and electronic structure makes the device more economical. While the millisecond lifetime of electrons in Mn-CdS is known to help for white light emission, the same factor helps to greatly improve charge utilization for H-2 production in the QuAL device. In contrast, the reabsorption of emitted light is a vexing problem in emission applications; however in the present work, reabsorption is successfully utilized to enhance hydrogen yield. Spectroscopy techniques combined with electrocatalytic studies were employed and the results correlated with solar hydrogen generation, demonstrating this as a new pathway to design better solar-light-harvesting architectures.

1 aPatra, Kshirodra, Kumar1 aBharad, Pradnya, Arunrao1 aJain, Vanshika1 aGopinath, Chinnakonda, S. uhttps://library.ncl.res.in/content/direct-solar-hydrogen-generation-quasi-artificial-leaf-approach-possibly-scalable-and02284nas a2200265 4500008004100000022001400041245012300055210006900178260000900247300001400256490000700270520141500277653000901692653001801701653001001719653001901729653001601748653001301764100002001777700001801797700003601815700001901851700002501870856012301895 2019 eng d a1944-824400aDirect Z-scheme g-C3N4/FeWO4 nanocomposite for enhanced and selective photocatalytic CO2 reduction under visible light0 aDirect Zscheme gC3N4FeWO4 nanocomposite for enhanced and selecti cFEB  a6174-61830 v113 a

Photocatalytic reduction of CO2 to renewable solar fuels is considered to be a promising strategy to simultaneously solve both global warming and energy crises. However, development of a superior photocatalytic system with high product selectivity for CO2 reduction under solar light is the prime requisite. Herein, a series of nature-inspired Z-scheme g C3N4/FeWO4 composites are prepared for higher performance and selective CO2 reduction to CO as solar fuel under solar light. The novel direct Z-scheme coupling of the visible light-active FeWO4 nanoparticles with C3N4 nanosheets is seen to exhibit excellent performance for CO production with a rate of 6 mu mol/g/h at an ambient temperature, almost 6 times higher compared to pristine C3N4 and 15 times higher than pristine FeWO4. More importantly, selectivity for CO is 100% over other carbon products from CO, reduction and more than 90% over. H-2 products from water splitting. Our results clearly demonstrate that the staggered band structure between FeWO4 and C3N4 reflecting the nature-inspired Z-scheme system not only favors superior spatial separation of the electron hole pair in g-C3N4/FeWO4 but also shows good reusability. The present work provides unprecedented insights for constructing the direct Z-scheme by mimicking the nature for high performance and selective photocatalytic CO2 reduction into solar fuels under solar light.

10aC3N410aCO2 reduction10aFeWO410aPhotocatalysis10asolar fuels10aZ-scheme1 aBhosale, Reshma1 aJain, Srashti1 aVinod, Chathakudath, Prabhakara1 aKumar, Santosh1 aOgale, Satishchandra uhttps://library.ncl.res.in/content/direct-z-scheme-g-c3n4fewo4-nanocomposite-enhanced-and-selective-photocatalytic-co202393nas a2200205 4500008004100000020002200041245009600063210006900159260002400228300001200252520162000264100002801884700002001912700003201932700002801964700002001992700002902012700002302041856012302064 2019 eng d a978-981-13-8315-100aDistribution and bioprospecting potential of actinobacteria from Indian mangrove ecosystems0 aDistribution and bioprospecting potential of actinobacteria from bSpringer, Singapore a319-3533 aActinobacteria are the ecologically and economically important prokaryotes with the unprecedented ability to produce novel metabolites. They are widely distributed in nature due to their physiological and metabolic versatility. Actinobacteria from marine ecosystem are recognized as a promising source for novel bioactive metabolites. Notably, mangroves are the most fertile and productive marine ecosystem due to their ecophysiological conditions and vast microbial diversity. At the global level, there are many novel actinobacteria which have been reported from mangrove ecosystems and also explored for their bioprospecting potential. However, in India, microbiologists have explored actinobacteria from selected mangrove ecosystems for the past five decades with special reference to culturable diversity and antimicrobial, antimycobacterial, anticancer, and enzymatic activities. So far, around 22 rare actinobacterial genera have been reported from the Indian mangrove ecosystems. However, several other novel actinobacteria with promising bioprospecting potential are yet to be explored. Hence, research on actinobacteria in the Indian mangrove ecosystem is still in its infancy. This chapter will describe the exploratory research work carried out on the importance, diversity, antimicrobial and enzymatic activity, biodegradation, and nanotechnological potency of actinobacteria from the Indian mangrove ecosystems. This chapter will enable researchers to identify the gaps to be bridged for further research on Indian mangrove actinobacteria and exploit their potential to the maximum benefit to mankind.1 aManikkam, Radhakrishnan1 aPati, Premalata1 aThangavel, Shanmugasundaram1 aVenugopal, Gopikrishnan1 aJoseph, Jerrine1 aRamasamy, Balagurunathan1 aDastager, Syed, G. uhttps://library.ncl.res.in/content/distribution-and-bioprospecting-potential-actinobacteria-indian-mangrove-ecosystems00607nas a2200145 4500008004100000245012500041210006900166260000800235300001600243490000700259100002100266700001900287700002400306856013100330 2019 eng d00aDry molten globule-like intermediate during the base-induced unfolding of a multidomain protein (vol 19, pg 20307, 2017)0 aDry molten globulelike intermediate during the baseinduced unfol cSEP a20499-204990 v211 aAcharya, Nirbhik1 aMishra, Prajna1 aJha, Santosh, Kumar uhttps://library.ncl.res.in/content/dry-molten-globule-intermediate-during-base-induced-unfolding-multidomain-protein-vol-19-pg02115nas a2200253 4500008004100000022001400041245014200055210006900197260000800266300001200274490000600286520124700292653001501539653001801554653002401572653002401596653001101620100001801631700002101649700002201670700001901692700002101711856012901732 2019 eng d a2194-428800aDry reforming of methane in DBD plasma over Ni-based catalysts: influence of process conditions and support on performance and durability0 aDry reforming of methane in DBD plasma over Nibased catalysts in cAPR a18010080 v73 a

The conversion of greenhouse gases, H-2 and CO selectivity, H-2/CO ratio, and carbon formation in the dry reforming reaction over Ni-supported ZSM-5, Al2O3, and TiO2 are tested under thermal, plasma, and plasma-thermal conditions. It is observed that the dielectric nature, specific surface area, and acid-base properties of the support influence the performance during the DRM reaction. Typical results indicate that the best activity and syngas yield are achieved with 15Ni/Al2O3 under plasma conditions, possibly due to the high dielectric constant and surface area of Al2O3 and nanosize of Ni. In the thermal condition, the highest conversion of 73% and 68% for CH4 and CO2, respectively, is achieved over 15Ni/ZSM-5 at 500 degrees C. Plasma-assisted thermal conditions provide the highest conversion due to the activation of reactants and their partial conversion in the plasma zone before entering into the catalytic zone. The plasma-assisted thermocatalytic conversions of CH4 and CO2 reach the best values of 76% and 71%, respectively, on 15Ni/ZSM-5. Under the same conditions, 68% and 65% conversion of CH4 and CO2, respectively, is achieved with 15Ni/Al2O3 where the selectivity for H-2 and CO is 45% and 58%, respectively.

10aDBD plasma10aDry reforming10areaction conditions10asupported catalysts10aSyngas1 aRay, Debjyoti1 aNepak, Devadutta1 aJanampelli, Sagar1 aGoshal, Partha1 aSubrahmanyam, Ch uhttps://library.ncl.res.in/content/dry-reforming-methane-dbd-plasma-over-ni-based-catalysts-influence-process-conditions-and01898nas a2200145 4500008004100000245009300041210006900134260000800203300001200211490000800223520137300231100002701604700001601631856010501647 2019 eng d00aEffect of co-substitution of Co2+ and V5+ for Fe3+ on the magnetic properties of CoFe2O40 aEffect of cosubstitution of Co2 and V5 for Fe3 on the magnetic p cFEB a107-1130 v5543 aDifferent chemical compositions in Co1+2xVxFe2-3xO4 (0 ≤ x ≤ 0.1) have been synthesized by the conventional solid-state reaction method and processed under identical conditions. The materials are investigated to assess the impact of change in the oxidation states of metal ions on structural and magnetic properties of cobalt ferrite. Rietveld refinement of the X-ray diffraction patterns revealed a single phase nature of all compositions with cubic spinel structure. The cubic lattice parameter was found to decrease non-linearly from 8.393 Å for x = 0 to 8.377 Å for x = 0.1, due to the effect of ionic size and valency of the substituted metal ions. Sintered co-substituted compositions exhibited smaller grains against unsubstituted counterpart, due to low melting point of raw material V2O5. Strong experimental evidence of V substitution for Fe at the tetrahedral sites of the spinel ferrite has been extracted from the Raman spectral analysis. Saturation magnetization (Ms) was observed to decrease from 452 kA/m for x = 0–411 kA/m for x = 0.1. Coercivity (Hc) and magnetocrystalline anisotropy (K1) were also found to follow the same trend. Variation of the structural and magnetic parameters is attributed to the changes in the oxidation state of Co from 2 + to 3 + as it is confirmed from the results of XPS analysis.1 aAnantharamaiah, P., N.1 aJoy, P., A. uhttps://library.ncl.res.in/content/effect-co-substitution-co2-and-v5-fe3-magnetic-properties-cofe2o401737nas a2200217 4500008004100000022001400041245015300055210006900208260000800277300001200285490000700297520097700304100001801281700001501299700001201314700001301326700001501339700002501354700001401379856012601393 2019 eng d a0032-388800aEffect of processing conditions on the rheological properties of blends of ultra high molecular weight polyethylene with high‐density polyethylene0 aEffect of processing conditions on the rheological properties of cDEC a821-8290 v593 a

Blends of high‐density polyethylene (HDPE) with small amounts of ultra‐high molecular weight polyethylene (UHMWPE) were prepared by melt mixing in a twin‐screw microcompounder. Two types of UHMWPE differing in their states of chain entanglement were used. The blend composition, time of mixing, and rotation speed of the screws were varied. Rheological properties of the blends were studied in oscillatory shear and uniaxial elongational tests. Reduction in phase angle measured in dynamic shear rheology and increase in extensional strain hardening were found to be useful indicators for quantifying the extent of mixing of the two components. Although the disentangled UHMWPE showed reasonable mixing with HDPE during typical residence times of melt compounding operations, the entangled UHMWPE remained essentially undissolved. The extent of mixing increased with mixing time and screw speed. POLYM. ENG. SCI., 2018. © 2018 Society of Plastics Engineers

1 aChaudhuri, K.1 aPoddar, S.1 aPol, H.1 aLele, A.1 aMathur, A.1 aRao, G.S., Srinivasa1 aJasra, R. uhttps://library.ncl.res.in/content/effect-processing-conditions-rheological-properties-blends-ultra-high-molecular-weight01549nas a2200181 4500008004100000022001400041245015200055210006900207260000900276300001400285490000600299520084200305100002301147700002001170700002501190700002301215856012901238 2019 eng d a2044-475300aEfficient bifunctional reactivity of K-doped CrO(OH) nanosheets: exploiting the combined role of Cr(iii) and surface -OH groups in tandem catalysis0 aEfficient bifunctional reactivity of Kdoped CrOOH nanosheets exp cMAR  a1154-11640 v93 a

This work reports the bifunctional catalytic activity of layered K-doped alpha-CrO(OH). The combined action of the redox active Cr(III) and the surface hydroxyl groups was efficiently used to carry out 2-3 oxidation reactions in tandem followed by condensation/coupling reactions in one pot. Oxidation of benzyl alcohol followed by Knoevenagel condensation or coupling reactions forming C-C and C-N linkages in one pot is demonstrated. The catalyst has been characterized using XRD, IR, TGA, CO2-TPD, cyclic voltammetry, XPS and microscopic techniques to gain insight into the nature of active sites. The role of O- and O2- on the CrO(OH) catalyst in the bifunctional activity was studied using analytical techniques. Recyclability and leaching tests confirmed that K-alpha-CrO(OH) is a stable and environmentally safe catalyst.

1 aVernekar, Dnyanesh1 aRatha, Satyajit1 aRode, Chandrashekhar1 aJagadeesan, Dinesh uhttps://library.ncl.res.in/content/efficient-bifunctional-reactivity-k-doped-crooh-nanosheets-exploiting-combined-role-criii00796nas a2200217 4500008004100000022001400041245012200055210006900177260000900246300001400255490000700269100001900276700003100295700002200326700001900348700001800367700001700385700002400402700002000426856013200446 2019 eng d a0897-475600aEfficient broad-band emission from contorted purely corner-shared one dimensional (1D) organic lead halide perovskite0 aEfficient broadband emission from contorted purely cornershared  cAPR  a2253-22570 v311 aBiswas, Anupam1 aBakthavatsalam, Rangarajan1 aShaikh, Samir, R.1 aShinde, Aparna1 aLohar, Amruta1 aJena, Satyam1 aGonnade, Rajesh, G.1 aKundu, Janardan uhttps://library.ncl.res.in/content/efficient-broad-band-emission-contorted-purely-corner-shared-one-dimensional-1d-organic-lead01740nas a2200229 4500008004100000022001400041245006600055210006300121260000900184300001400193490000700207520104700214100001701261700002301278700001701301700002201318700001901340700001701359700002201376700002101398856009101419 2019 eng d a1948-718500aEmbedding S=1/2 Kagome-like lattice in reduced graphene oxide0 aEmbedding S12 Kagomelike lattice in reduced graphene oxide cJUN  a2663-26680 v103 a

An elegant platform to explore frustrated magnetism is the kagome spin lattice. In this work, clinoatacamite, a naturally occurring S = 1/2 kagome-like antiferromagnetic insulator, is synthesized in water at ambient pressure for the first time from a cuprous chloride (CuCl) precursor whereby Cu(I) was spontaneously oxidized to Cu(II) in the form of clinoatacamite [Cu-2(OH)(3)Cl] with a simultaneous reduction of graphene oxide (GO) to reduced graphene oxide (rGO) in one pot. A stable nanocomposite of phase-pure clinoatacamite nanocrystals embedded in the rGO matrix was isolated. The clinoatacamite-rGO nanocomposite was determined to be magnetically active with a markedly enhanced coercive field of similar to 2500 Oe at S K as well as electronically active with a conductivity value of similar to 200 S.m(-1) at 300 K. Our results illustrate an avenue of combining exotic magnetic and electronic lattices without impeding their individual characteristics and synergistically generating a new class of magnetic semiconductors.

1 aGupta, Kriti1 aJha, Plawan, Kumar1 aDadwal, Arun1 aDebnath, Anil, K.1 aJaiswal, Ishan1 aRana, Shammi1 aJoy, Pattayil, A.1 aBallav, Nirmalya uhttps://library.ncl.res.in/content/embedding-s12-kagome-lattice-reduced-graphene-oxide02435nas a2200205 4500008004100000022001400041245014900055210006900204260000800273520162400281653002701905653002301932653002001955653002101975653002301996100002902019700002202048700002702070856013202097 2019 eng d a2196-021600aExploring battery-type ZnO/ZnFe2O4 spheres-3D graphene electrodes for supercapacitor applications: advantage of yolk-shell over solid structures0 aExploring batterytype ZnOZnFe2O4 spheres3D graphene electrodes f cOCT3 a

Recently, a ZnO/ZnFe2O4 composite has been reported to be a promising material for energy storage, owing to its large specific capacity and good redox activity. However, due to the inability to accommodate its strong volumetric variations during operation, it fails to retain its capacitance, which remains as a significant hitch. Herein, we present our attempt towards solving this through a binder-free electrode design comprising a porous yolk-shell ZnO/ZnFe2O4 composite matrixed inside a 3D network of graphene, which, in turn, is grown on Ni foam. The design exhibits a four-fold increase in its specific capacitance, yielding 1334 F g(-1) (specific capacity of 370.5 mAh g(-1)) at a current density of 0.5 A g(-1) in comparison to that of the ZnO/ZnFe2O4 electrodes (309 F g(-1) (85.8 mAh g(-1)) at 0.5 A g(-1)) comprising solid metal oxide spheres. The major advantage of the design is the well-defined yolk-shell architecture that provides free space for volume expansion during long cycling processes and channels for ionic transportation; whereas, the conductive 3D graphene network and porous Ni foam facilitate electronic conduction. The availability of free space in yolk-shell sphere electrodes facilitates the capacitance retention of up to 80 % beyond 5000 cycles at a current density of 1 A g(-1), which is in contrast to the capacitance retained by the solid spheres of only approximately 60 %. These results directly demonstrate the significant consequence of the yolk-shell architecture-based binder-free design and its promising potential in high-performing supercapacitors and batteries.

10abinder-free electrodes10agraphene hydrogels10aSupercapacitors10avolume expansion10ayolk-shell spheres1 aJhajharia, Suman, Kumari1 aManappadan, Zinoy1 aSelvaraj, Kaliaperumal uhttps://library.ncl.res.in/content/exploring-battery-type-znoznfe2o4-spheres-3d-graphene-electrodes-supercapacitor-applications01264nas a2200157 4500008004100000022001400041245008000055210006900135260000800204300001200212490000700224520072200231100002500953700002200978856010601000 2019 eng d a2214-574500aFacilitator roles of viruses in enhanced insect resistance to biotic stress0 aFacilitator roles of viruses in enhanced insect resistance to bi cJUN a111-1160 v333 a

Virus-insect interactions are primarily parasitic, yet diverse mutualistic interactions, some of which are symbiogenic, also occur. These viruses can modify insect physiology and behavior so that hosts can gain resistance against various biotic challenges like pathogen and parasites. In the recent past, many insect mutualistic viruses have been reported. Viruses can show symbiogenic interactions with some insects, which have been explored at the molecular level. However, understanding about molecular mechanisms for many of the mutualistic viruses is still enigmatic. Exploration of these interactions and its mechanism can shed light on phenomenon of virus mediated biotic stress resistance in insects.

1 aJagdale, Shounak, S.1 aJoshi, Rakesh, S. uhttps://library.ncl.res.in/content/facilitator-roles-viruses-enhanced-insect-resistance-biotic-stress01774nas a2200229 4500008004100000022001400041245008600055210006900141260000800210300001400218490000700232520102300239653002101262653001901283653002001302653001901322100002001341700002401361700001801385700002701403856011401430 2019 eng d a0019-452200aFerets diameter estimation of activated carbon for effluent treatment application0 aFerets diameter estimation of activated carbon for effluent trea cAUG a1067-10740 v963 a

In this paper, activated carbon was produced of by chemical activation with phosphoric acid of agricultural wastes such as Arecanut shell of 25 micronmeter at 400 degrees C by slow pyrolysis. The BET surface area and iodine number surface area is calculated and compared. The FTIR spectra show the presence of activated carbon. The TGA revealed, activated carbon is thermally stable at 480 degrees C. The SEM shows the incorporation of activated carbon particles leads to the systematic change in morphology of activated carbon. Surface area plot shows the details of morphological change caused by iodine number surface area. Ferets diameter is estimated to know circularity of the particle. Methylene blue number, acid adsorption value is calculated to know adsorption capacity of the carbon. Thus results proves selection of ferets diameter, activation temperature, and impregnation ratio is important in determining the quality of activated carbon obtained and its use in industrial waste water treatment.

10aactivated carbon10aArecanut shell10aPhosphoric acid10ateret diameter1 aJadhav, Abhijit1 aMohanraj, Govindraj1 aGokarn, Ashok1 aMayadevi, Susheeladevi uhttps://library.ncl.res.in/content/ferets-diameter-estimation-activated-carbon-effluent-treatment-application00679nas a2200193 4500008004100000022001400041245009500055210006900150260000800219300001200227490000700239100001900246700002100265700001700286700001700303700002200320700002400342856011900366 2019 eng d a2352-940700aFluorescent carbon nanodots for targeted in vitro cancer cell imaging (vol 4, pg 71, 2016)0 aFluorescent carbon nanodots for targeted in vitro cancer cell im cDEC a236-2400 v171 aAiyer, Sandhya1 aPrasad, Rajendra1 aKumar, Manoj1 aNirvikar, K.1 aJain, Bhanprakash1 aKushwaha, Omkar, S. uhttps://library.ncl.res.in/content/fluorescent-carbon-nanodots-targeted-vitro-cancer-cell-imaging-vol-4-pg-71-201602371nas a2200181 4500008004100000245008900041210006900130260000800199300001600207490000600223520173100229100001901960700001801979700002101997700002202018700002902040856012002069 2019 eng d00aFluorescent carbon-dots thin film for fungal detection and bio-labeling applications0 aFluorescent carbondots thin film for fungal detection and biolab cNOV a5829–58400 v23 a

The fluorescence properties of CDs, such as high quantum yield, tunability of emission color, and so on, make a strong potential material in various fields. These applications are mainly derived from in situ formation of surface functional groups, high chemical stability, biocompatibility, and easy interaction with substrates, etc. Mostly, the research applications of CDs concentrate on the labeling of biological species, drug delivery, and sensing in consequent biomedical applications. However, the detection of the fungal species/spores present in the environment by using CDs is rarely reported. Herein, we demonstrate CDs-based thin film as a sensor for detection of fungal spores from the environment. The procedure of detection is based on fluorescence, observed in the film of carbon dots deposited on quartz plates by using the Blodgett technique. It is observed that the CDs film shows quenching in the fluorescence intensity by the substrate, namely, fungal spores’ (Aspergillus niger, Penicillium chrysogenum, Alternaria alternata). The effective features of the present detector system are easy fabrication, low cost, high stability, and a green and economical procedure of synthesis. The process of detecting fungal spores even at low concentration from the atmosphere is relatively fast when compared to presently used methods. Finally, real-world feasibility of the sensor film is tested by its successful application for the determination of the presence fungal spores in the environment. Furthermore, CDs have been also successfully applied for the bio-labeling of Staphylococcus aureus (Gram-positive) and Escherichia coli (Gram-negative) bacterial systems.

1 aGaikwad, Aarti1 aJoshi, Meenal1 aPatil, Kashinath1 aSathaye, Shivaram1 aRode, Chandrashekhar, V. uhttps://library.ncl.res.in/content/fluorescent-carbon-dots-thin-film-fungal-detection-and-bio-labeling-applications02444nas a2200157 4500008004100000022001400041245014400055210006900199260000900268300001200277490000700289520181700296100002202113700002402135856012702159 2019 eng d a0006-296000aFolding and aggregation energy landscapes of tethered RRM domains of human TDP-43 are coupled via a metastable molten globule-like oligomer0 aFolding and aggregation energy landscapes of tethered RRM domain cFEB  a608-6200 v583 a

Stress-induced misfolding and intraneuronal aggregation of the highly conserved nucleic acid binding protein TDP-43 (transactive response DNA binding protein 43 kDa) and its fragments have been implicated in amyotrophic lateral sclerosis and several other neurodegenerative diseases. However, the physicochemical mechanism of its misfolding from the functional folded state is poorly understood. TDP-43 is a four-domain protein and performs the essential nucleic acid binding function with the help of its two tandem RNA recognition motif domains naturally tethered by a linker (called here the tethered RRM domain of TDP-43 or TDP-43(tRRM)). Here, we show that the monomeric native form of TDP-43(tRRM) remains in a pH-dependent and reversible thermodynamic equilibrium with a protonated, nanosized, 40-merit form (the A form). Under the stress-like low-pH condition, the A form becomes predominantly populated. In the A form, protein molecules have restricted dynamics of surface side-chain residues but native-like secondary structure. This self-assembled form possesses a loosely packed core in which the intrinsically disordered and aggregation-prone regions are in the proximity. The A form is metastable and swiftly aggregates into a highly stable amyloid-like protofibrillar form (beta form) mediated by the disorder-to-order transition of intrinsically disordered regions upon small environmental perturbations. Interestingly, the A form and the beta form are not formed when TDP-43(tRRM) is bound to DNA, indicating that the nucleic acid binding regions of the protein participate in their formation. Our results reveal how the energy landscapes of folding and aggregation of TDP-43(tRRM) are coupled by a metastable molten-globule like oligomeric form and modulated by stress-like conditions.

1 aPillai, Meenakshi1 aJha, Santosh, Kumar uhttps://library.ncl.res.in/content/folding-and-aggregation-energy-landscapes-tethered-rrm-domains-human-tdp-43-are-coupled02341nas a2200397 4500008004100000022001400041245012700055210006900182260000800251300001600259490000800275520110900283653001601392653001701408653001901425653001001444653002301454100002201477700001801499700002001517700002701537700001601564700001701580700001801597700002001615700001801635700002101653700001901674700001801693700001501711700001601726700002801742700001801770700002701788856012801815 2019 eng d a0027-842400aFrancisella novicida Cas9 interrogates genomic DNA with very high specificity and can be used for mammalian genome editing0 aFrancisella novicida Cas9 interrogates genomic DNA with very hig cOCT a20959-209680 v1163 a

Genome editing using the CRISPR/Cas9 system has been used to make precise heritable changes in the DNA of organisms. Although the widely used Streptococcus pyogenes Cas9 (SpCas9) and its engineered variants have been efficiently harnessed for numerous gene-editing applications across different platforms, concerns remain regarding their putative off-targeting at multiple loci across the genome. Here we report that Francisella novicida Cas9 (FnCas9) shows a very high specificity of binding to its intended targets and negligible binding to off-target loci. The specificity is determined by its minimal binding affinity with DNA when mismatches to the target single-guide RNA (sgRNA) are present in the sgRNA:DNA heteroduplex. FnCas9 produces staggered cleavage, higher homology-directed repair rates, and very low nonspecific genome editing compared to SpCas9. We demonstrate FnCas9-mediated correction of the sickle cell mutation in patient-derived induced pluripotent stem cells and propose that it can be used for precise therapeutic genome editing for a wide variety of genetic disorders.

10aCRISPR Cas910agene therapy10aGenome editing10aiPSCs10asickle cell anemia1 aAcharya, Sundaram1 aMishra, Arpit1 aPaul, Deepanjan1 aAnsari, Asgar, Hussain1 aAzhar, Mohd1 aKumar, Manoj1 aRauthan, Riya1 aSharma, Namrata1 aAich, Meghali1 aSinha, Dipanjali1 aSharma, Saumya1 aJain, Shivani1 aRay, Arjun1 aJain, Suman1 aRamalingam, Sivaprakash1 aMaiti, Souvik1 aChakraborty, Debojyoti uhttps://library.ncl.res.in/content/francisella-novicida-cas9-interrogates-genomic-dna-very-high-specificity-and-can-be-used02850nas a2200181 4500008004100000245011200041210006900153260000800222520215600230100001602386700002002402700002902422700001402451700002102465700002502486700002502511856013202536 2019 eng d00aGlycation of glucose sensitive lysine residues K36, K438 and K549 of albumin is associated with prediabetes0 aGlycation of glucose sensitive lysine residues K36 K438 and K549 cAUG3 a

Prediabetes is a risk factor for the development of diabetes. Early diagnosis of prediabetes may prevent the onset and progression of diabetes and its associated complications. Therefore, this study aimed at the identification of novel markers for efficient prediction of prediabetes. In this pursuit, we have evaluated the ability of glycated peptides of albumin in predicting prediabetes. Glycated peptides of in vitro glycated albumin were characterized by data dependent acquisition and parallel reaction monitoring using LC-HRMS. Amongst 14 glycated peptides characterized in vitro, four peptides, particularly, FK(CML)DLGEENFK, K(AML)VPQVSTPTLVEVSR, K(CML)VPQVSTPTLVEVSR, and K(AML)QTALVELVK, corresponding to 3 glucose sensitive lysine residues K36, K438, and K549, respectively showed significantly higher abundance in prediabetes than control. Additionally, the abundance of three of these peptides, namely K(AML)QTALVELVK, K(CML)VPQVSTPTLVEVSR and FK(CML)DLGEENFK was >1.8-fold in prediabetes, which was significantly higher than the differences observed for FBG, PPG, and HbA1c. Further, the four glycated peptides showed a significant correlation with FBG, PPG, HbA1c, triglycerides, VLDL, and HDL. This study supports that glycated peptides of glucose sensitive lysine residues K36, K438 and K549 of albumin could be potentially useful markers for prediction of prediabetes. SIGNIFICANCE: Undiagnosed prediabetes may lead to diabetes and associated complications. This study reports targeted quantification of four glycated peptides particulary FK(CML)DLGEENFK, K(AML)VPQVSTPTLVEVSR, K(CML)VPQVSTPTLVEVSR, and K(AML)QTALVELVK, corresponding to 3 glucose sensitive lysine residues K36, K438 and K549 respectively by parallel reaction monitoring in healthy and prediabetic subjects. These peptides showed significantly higher abundance in prediabetes than healthy subjects, and showed significant correlation with various clinical parameters including FBG, PPG, HbA1c, and altered lipid profile. Therefore, together these four peptides constitute a panel of markers that can be useful for prediction of prediabetes.

1 aRathore, R.1 aSonwane, B., P.1 aJagadeeshaprasad, M., G.1 aKahar, S.1 aSanthakumari, B.1 aUnnikrishnan, A., G.1 aKulkarni, Mahesh, J. uhttps://library.ncl.res.in/content/glycation-glucose-sensitive-lysine-residues-k36-k438-and-k549-albumin-associated-prediabetes02505nas 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-xylitol01473nas 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-production01711nas 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-pathogenic02487nas 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-phase02486nas a2200193 4500008004100000245016100041210006900202260000800271300001600279490000700295520172700302100002002029700002402049700001702073700002702090700002702117700002002144856012802164 2019 eng d00aImportance of conserving fragmented forest patches with high diversity of flowering plants in the northern Western Ghats: an example from Maharashtra, India0 aImportance of conserving fragmented forest patches with high div cMAY a13833-138490 v113 aThe northern Western Ghats (NWG) comprises of a patchy continuum of forests that have been severely fragmented mainly due to anthropogenic activities. We documented tree diversity within a representative fragmented forest patch of the NWG to study the effects of fragmentation on forest structure and composition. The floristic survey was conducted by replicated strip transect sampling method leading to a total sampling area of 0.3ha. A total of 444 individual trees (Girth>10cm) were sampled, which represented 49 tree species belonging to 42 genera and 23 families. Species richness per unit area and tree density were higher than previously reported values from similar forest type in various regions of NWG. These variations, however, could have resulted due to differences in the sampling area, sampling method, and girth classes used across different studies. Nevertheless, various diversity parameters such as N/S ratio, Simpson’s index, Shannon’s index, and Fisher’s α index were comparable with those reported in previous studies in the Western Ghats. The observed species richness was close to species richness estimates such as abundance-based coverage estimate, Chao-1, and Jackknife estimators. The present study also enumerates 108 species of understory flowering plants, which is provided as a checklist. While access restrictions are imposed in protected areas having high conservation priority, such restrictions are not imposed in non-protected areas, which make them much more vulnerable to anthropogenic activities. Hence, this study recommends that owing to their high diversity, the fragmented forest patches of NWG should also be given high conservation priority.1 aKasodekar, Amol1 aJadhav, Amol, Dilip1 aBhagat, Rani1 aPawar, Rakesh, Mahadev1 aGupta, Vidya, Shrikant1 aKadoo, Narendra uhttps://library.ncl.res.in/content/importance-conserving-fragmented-forest-patches-high-diversity-flowering-plants-northern02237nas a2200241 4500008004100000022001400041245011700055210006900172260000800241520140600249653002001655653001701675653001801692653001901710653001301729100002101742700002201763700001701785700002001802700001801822700002401840856013101864 2019 eng d a0887-358500aIn vitro and in silico studies on membrane interactions of diverse Capsicum annuum flower gamma-thionin peptides0 aIn vitro and in silico studies on membrane interactions of diver cAUG3 a

Thionins are small, cysteine-rich peptides that play an important role in plant defense, primarily through their interactions with membranes. Eight novel gamma-thionin peptides (CanThio1-8) were isolated from the flower of Capsicum annuum. Sequence analysis revealed that the peptides cluster into three groups. A representative peptide from each group (CanThio1, 2, and 3) was used for experimental characterization. Interestingly, peptides were found to possess some cytotoxic activity against normal human embryonic kidney cell line but higher cytotoxicity against cancer cell line MCF-7. CanThio3 peptide was chosen as a representative peptide to study the molecular mechanism of action on membranes. Microsecond timescale atomistic simulations of CanThio3 were performed in the presence of a POPC (1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine) lipid bilayer. Simulations revealed that CanThio3 interacts with the bilayer and causes lipid thinning in the vicinity. Nonpolar amino acids specific to the alpha-core region of CanThio3 along with nonpolar residues in the gamma-core region are seen to interact with the lipid tails. The differences in the amino acid sequence of CanThio peptides in these regions explain the variability in cytotoxic activities. In summary, our results demonstrate the membrane-mediated activity of a novel series of gamma-thionin peptides from C. annuum.

10aCapsicum annuum10aCytotoxicity10agamma-thionin10aMD simulations10aMembrane1 aNikte, Siddhanta1 aGahankari, Apurva1 aMulla, Javed1 aSengupta, Durba1 aJoshi, Manali1 aTamhane, Vaijayanti uhttps://library.ncl.res.in/content/vitro-and-silico-studies-membrane-interactions-diverse-capsicum-annuum-flower-gamma-thionin01608nas a2200241 4500008004100000245010300041210006900144260000800213300001600221490000600237520082500243100002001068700002001088700001501108700002301123700001801146700001501164700001801179700001501197700001201212700001801224856012401242 2019 eng d00aInsect-repellent and mosquitocidal effects of noreremophilane- and nardoaristolone-based compounds0 aInsectrepellent and mosquitocidal effects of noreremophilane and cJAN a2188–21950 v43 a

Here, we disclose novel mosquito-repellent synthetic hydrindanes based on noreremophilanes and nardoaristolone B which show increased activity against adult females of Aedes aegypti. The noreremophilanes and nardoaristolone B with hydrindane skeleton are structurally related to nootkatone with decalin skeleton, a well-studied natural product extracted from a grape fruit. Out of our library of compounds synthesized based on the noreremophilanes and nardoaristolone B scaffolds, NDS-100598 (compound 20) exhibits higher repellent and knock-down effects at a very low concentration (0.25 mg/cm2), while a few analogues showed considerably enhanced activity compared to racemic nootkatone. This is the first report documenting insect-repellent and knock-down activity of the noreremophilanes class of compounds.

1 aHandore, K., L.1 aKalmode, H., P.1 aSayyad, S.1 aSeetharamsingh, B.1 aGathalkar, G.1 aPadole, S.1 aPawar, P., V.1 aJoseph, M.1 aSen, A.1 aReddy, D., S. uhttps://library.ncl.res.in/content/insect-repellent-and-mosquitocidal-effects-noreremophilane-and-nardoaristolone-based02382nas a2200241 4500008004100000022001400041245016300055210006900218260000800287300001200295490000800307520150800315100002301823700002401846700001701870700001801887700002701905700001901932700001701951700002401968700002101992856012702013 2019 eng d a0008-622300aIn-situ generated Mn3O4-reduced graphene oxide nanocomposite for oxygen reduction reaction and isolated reduced graphene oxide for supercapacitor applications0 aInsitu generated Mn3O4reduced graphene oxide nanocomposite for o cDEC a285-2910 v1543 a

We have generated in situ nanocomposite of Mn3O4 and reduced graphene oxide (rGO) upon employing wet-chemical reduction of graphene oxide (GO) by Mn(II) salt as mild-reducing agent for the first time and examined the oxygen reduction reaction (ORR) activity in 0.1 M KOH electrolyte. The half-wave potential (E-1/2) of the nanocomposite catalyst (20% Mn3O4-rGO/C) was found to be around -0.153 V which is only similar to 87 mV negative from the commercially available catalyst (20% Pt/C). Remarkably, after 5000 linear sweep voltammetry cycles the E-1/2 shifted marginally by 20 mV; and the number of electrons transferred during ORR was estimated to be close to 4. Such an efficient electrocatalytic performance of the nanocomposite was primarily attributed to the synergistic interaction between Mn3O4 and rGO. The fabricated all-solid-state supercapacitor of rGO (extracted from the nanocomposite) in aqueous polyvinyl alcohol-sulfuric acid (PVA-H2SO4) gel polymer electrolyte (GPE) showed C-s value of similar to 310 F/g at a current density of 1 A/g along with long durability (10,000 charge-discharge cycles). All-solid-state flexible rGO supercapacitor exhibited high-flexibility and excellent durability (30,000 cycles with 100% retention of C-s). Our results provide an enormous opportunity in designing transition metal oxides decorated semiconducting reduced graphene oxide nanocomposite platforms for various electrochemical applications. (C) 2019 Elsevier Ltd. All rights reserved.

1 aJha, Plawan, Kumar1 aKashyap, Varchaswal1 aGupta, Kriti1 aKumar, Vikash1 aDebnath, Anil, Krishna1 aRoy, Debashree1 aRana, Shammi1 aKurungot, Sreekumar1 aBallav, Nirmalya uhttps://library.ncl.res.in/content/situ-generated-mn3o4-reduced-graphene-oxide-nanocomposite-oxygen-reduction-reaction-and02328nas a2200157 4500008004100000245006600041210006600107260000800173300003200181490000800213520181200221100001302033700001402046700001502060856009502075 2019 eng d00aKinetics of cinnamaldehyde hydrogenation in four phase system0 aKinetics of cinnamaldehyde hydrogenation in four phase system cDEC aArticle Number: UNSP 1205120 v3773 a

The kinetics of cinnamaldehyde hydrogenation in four phase system viz. gas (hydrogen)-liquid (cinnamaldehyde + toluene)-liquid (aqueous KOH)-solid (catalyst, 5% Pt/C), [GLLS] system has been studied in this work. As reported, addition of aqueous alkali in hydrogenation of unsaturated aldehydes like cinnamaldehyde shifts selectivity towards unsaturated alcohol, cinnamyl alcohol. The promotion action by alkali metals for improving selectivity towards cinnamyl alcohol involves changes in the adsorption mechanism of the cinnamaldehyde in a way that CO bond get preferentially hydrogenated. In cinnamaldehyde hydrogenation in presence of promoters two different catalytic sites can be considered, each for CO and CC bond hydrogenation. In accordance with this consideration and as demonstrated in various studies on hydrogenation of unsaturated aldehydes, further hydrogenation of intermediate-cinnamyl alcohol (CC bond hydrogenation) occurs on Pt only sites while cinnamaldehyde and intermediate hydrocinnamaldehyde (both involving CO bond hydrogenation) are hydrogenated on catalytic sites affected by promoters. This preferential adsorption and hydrogenation through CO bond leads to the increased selectivity of cinnamyl alcohol. Although, many authors have studied cinnamaldehyde hydrogenation using various promoters, there are very few reports on kinetics in which this two site approach behind promotion action has been considered. The effect of various operating parameters on the rates of hydrogenation was studied and the two site Langmuir-Hinshelwood type of kinetic model was used for evaluating the kinetic parameters by fitting experimental data. The thermodynamic model for estimating the solubility of hydrogen in the reaction mixture was incorporated with this kinetic model.

1 aKhan, M.1 aJoshi, S.1 aRanade, V. uhttps://library.ncl.res.in/content/kinetics-cinnamaldehyde-hydrogenation-four-phase-system01418nas a2200193 4500008004100000022001400041245010400055210006900159260000900228300001200237490000800249520074400257653001301001653002401014653002301038100002701061700001601088856012001104 2019 eng d a0167-577X00aLarge enhancement in the magnetostriction parameters of the composite of CoFe2O4 and CoFe1.9Ga0.1O40 aLarge enhancement in the magnetostriction parameters of the comp cFEB  a303-3060 v2363 a

A new strategy to enhance the magnetostriction parameters of cobalt ferrite (CoFe2O4) is illustrated. A composite comprising of nanocrystalline CoFe2O4 and bulk CoFe(1.9)Ga(0.1)O(4 )powders were mixed together then compacted and sintered at 1450 degrees C for 10 min. For a composite of 70 wt% CoFe2O4 and 30 wt% of CoFe(1.9)Ga(0.1)O4, maximum magnetostriction coefficient (lambda(max)) of -350 ppm has been obtained at lower magnetic field which is nearly 20% and 65% higher than that obtained for CoFe2O4 and CoFe1.9Ga0.1O4, respectively. Moreover, the composite exhibited higher strain sensitivity [d lambda/dH](max )of -2.6 x 10 (9) A(-1) m against the individual components of the composite. (C) 2018 Published by Elsevier B.V.

10aCeramics10aComposite materials10aMagnetic materials1 aAnantharamaiah, P., N.1 aJoy, P., A. uhttps://library.ncl.res.in/content/large-enhancement-magnetostriction-parameters-composite-cofe2o4-and-cofe19ga01o401619nas a2200229 4500008004100000022001400041245010500055210006900160260000800229300001600237490000700253520083900260653001301099653002301112653002001135653002001155653002201175100002201197700002701219700001601246856012701262 2019 eng d a0272-884200aMagnetic parameters of SrFe12O19 sintered from a mixture of nanocrystalline and micron-sized powders0 aMagnetic parameters of SrFe12O19 sintered from a mixture of nano cJUL a13592-135960 v453 a

Obtaining higher magnetic parameters is essential for high-power sintered strontium ferrite (SrFe12O19) for various applications. A novel approach has been made to improve the magnetic parameters of sintered strontium ferrite by making self-composites from nano and micron-sized powders. Powders with two different weight ratios (50 wt% nano:50 wt% micron and 75 wt% nano:25 wt% micron) were mixed together, compacted and sintered at 1200 degrees C for 1 h. For a self-composite of 75 wt% nano and 25 wt% micron-sized powders, coercivity (H-c) of 3076 Oe has been obtained, larger than the values for the sintered compacts from the component powders. The present study suggests that the magnetic parameters of sintered SrFe12O19 can be improved by making self-composite comprising of nanocrystalline and micron-sized powders.

10aCeramics10aMagnetic materials10amicrostructures10aSelf-composites10astrontium ferrite1 aShashanka, H., M.1 aAnantharamaiah, P., N.1 aJoy, P., A. uhttps://library.ncl.res.in/content/magnetic-parameters-srfe12o19-sintered-mixture-nanocrystalline-and-micron-sized-powders01623nas a2200193 4500008004100000022001400041245009000055210006900145260000800214300001600222490000700238520097900245653001501224653002401239653001401263100001401277700001601291856012201307 2019 eng d a0272-884200aMagnetic properties of sintered CoFe2O4-BaTiO3 particulate magnetoelectric composites0 aMagnetic properties of sintered CoFe2O4BaTiO3 particulate magnet cJUN a12307-123110 v453 a

The magnetic properties of sintered particulate magnetoelectric CoFe2O4 - BaTiO3 composites have been studied. The particulate composites are sintered in the temperature range 1000-1300 degrees C, for a short duration of 10 min. The magnetic transition temperature (T-c) of CoFe2O4 is found to decrease with increasing the sintering temperature and sintering time, as well as on increasing the BaTiO3 content in the composites. Similarly, a reduced saturation magnetization at room temperature, compared to that expected for the CoFe2O4 content, is also observed. Powder X-ray diffraction studies showed the presence of the impurity phase related to the hexagonal ferrite BaFe12O19 in all the composites. Ba2Fe2Ti4O13 is observed as a second impurity phase in the BaTiO3 - rich composites. The present studies suggest that the composition of the piezomagnetic (CoFe2O4) phase in the CoFe2O4 - BaTiO3 magnetoelectric composite is affected during the sintering process.

10acomposites10amagnetic properties10aSintering1 aMohan, S.1 aJoy, P., A. uhttps://library.ncl.res.in/content/magnetic-properties-sintered-cofe2o4-batio3-particulate-magnetoelectric-composites02370nas a2200265 4500008004100000022001400041245011700055210006900172260000800241300001400249490000800263520148700271653002501758653002401783653002401807653001401831653002101845100001701866700002001883700001601903700001601919700002401935700001801959856012701977 2019 eng d a1742-464X00aMechanistic insights into enzymatic catalysis by trehalase from the insect gut endosymbiont Enterobacter cloacae0 aMechanistic insights into enzymatic catalysis by trehalase from  cMAY a1700-17160 v2863 a

Energy metabolism in the diamondback moth Plutella xylostella is facilitated by trehalase, an enzyme which assists in trehalose hydrolysis, from the predominant gut bacterium Enterobacter cloacae. We report the biochemical and structural characterization of recombinant trehalase from E. cloacae (Px_EclTre). Px_EclTre showed K-M of 1.47 (+/- 0.05) mm, k(cat) of 6254.72 min(-1) and V-max 0.2 (+/- 0.002) mm center dot min(-1) at 55 degrees C and acidic pH. Crystal structures of Px_EclTre were determined in the ligand-free form and bound to the inhibitor Validoxylamine A. The crystal structure of the ligand-free form, unavailable until now for any other bacterial trehalases, enabled us to delineate the conformational changes accompanying ligand binding in trehalases. Multiple salt bridges were identified that potentially facilitated closure of a hood over the substrate-binding site. A cluster of five tryptophans lined the -1 substrate-binding subsite, interacted with crucial active site residues and contributed to both trehalase activity and stability. The importance of these residues in enzyme activity was further validated by mutagenesis studies. Many of these identified residues form part of signature motifs and other conserved sequences in trehalases. The structure analysis thus led to the assignment of the functional role to these conserved residues. This information can be further explored for the design of effective inhibitors against trehalases.

10aEnterobacter cloacae10aPlutella xylostella10astructural analysis10atrehalase10avalidoxylamine A1 aAdhav, Anmol1 aHarne, Shrikant1 aBhide, Amey1 aGiri, Ashok1 aGayathri, Pananghat1 aJoshi, Rakesh uhttps://library.ncl.res.in/content/mechanistic-insights-enzymatic-catalysis-trehalase-insect-gut-endosymbiont-enterobacter02198nas a2200217 4500008004100000022001400041245013700055210006900192260000800261520134700269653002301616653001001639653003601649653002701685653004001712100002601752700001801778700002701796700002601823856013101849 2019 eng d a0944-134400aMethodology of evaluating sustainability index of a biomass processing enterprise: a case study of native cow dung-urine biorefinery0 aMethodology of evaluating sustainability index of a biomass proc cOCT3 a

Agriculture and its allied sector contribute significantly to the gross domestic product of every country. Several small-scale enterprises engaged in waste biomass processing have been setup recently. Such industrial setups not only help in solving the waste management issues but also play an important role in offering employment at the grass root level generating a significant social impact along with economic advantage to the local entrepreneur. Hence, assessment of such biomass processing enterprise (BPE) based on economic, environment, and social parameters has become necessary. In this paper, a general framework for sustainability assessment is discussed using a case study of cow dung-urine biorefinery as a representative BPE. Real-time data of BPE has been collected for evaluation and a sustainability index (SI) is evaluated using multicriteria decision method. The SI is calculated as per the weightage assigned and value function of the indicator and criteria. The SI for the BPE was observed to be 0.69 for the chosen set of criteria and indicator and weightages. A sensitivity analysis has been performed to check the dependence of the results on the weightages assigned to various criteria and indicators. It was also observed that the results were more sensitive to the indicators having a low value function.

10aIndicator analysis10aMIVES10aMulticriteria decision analysis10aPerformance evaluation10aSustainability assessment framework1 aJoglekar, Saurabh, N.1 aDarwai, Vivek1 aMandavgane, Sachin, A.1 aKulkarni, Bhaskar, D. uhttps://library.ncl.res.in/content/methodology-evaluating-sustainability-index-biomass-processing-enterprise-case-study-native03253nas a2200301 4500008004100000022001400041245015900055210006900214260000800283300001100291490000800302520224400310653002002554653000902574653001402583653000802597653001702605653001402622100002702636700002302663700002102686700001902707700002502726700002402751700002802775700002202803856012602825 2019 eng d a0014-489400aMitochondrial cytochrome oxidase C subunit III (cox3) gene as a sensitive and specific target for molecular detection of Babesia gibsoni infection in dogs0 aMitochondrial cytochrome oxidase C subunit III cox3 gene as a se cNOV a1077710 v2063 a

A PCR targeting mitochondrial cytochrome oxidase subunit III (cox3) for molecular detection of Babesia gibsoni infection in dogs has been developed in this study. Fifty blood samples from suspected clinical cases from dogs, brought to the veterinary college clinics, were examined for presence of B. gibsoni using conventional diagnosis by microscopic examination of Giemsa stained thin blood smears. In addition, species specific PCRs targeting ITS-1 region (BgITS-1 PCR) and nested PCR targeting 18S ribosomal RNA gene (Bg18SnPCR) were carried out. A 634 bp PCR fragment of B. gibsoni cox3 gene was amplified in positive samples from three geographical locations of Satara, Wai and Pune in Maharashtra state of India. From analysis of the sequence of the B. gibsoni cox3 gene, we found that the Indian isolate had 96-98% similarity to the isolate from Japan and China. Post sequencing, de-novo diagnostic primer pair for species specific amplification of 164 bp fragment of B. gibsoni cox3 was designed and the PCR was standardized. The diagnostic results of de-novo Bgcox3 PCR were compared with BgITS-1 PCR and Bg18S nPCR. Thin blood smears detected 22% (11/50) samples positive for small form of Babesia species. The BgITS-1 PCR detected 25% samples (15/50) as positive and Bg18S nPCR detected 80% (40/50) B. gibsoni positive samples. The de-novo Bgcox3 PCR detected 66% (33/50) samples positive for B. gibsoni (at 95% CI). The analytical sensitivity of cox3 PCR was evaluated as 0.000003% parasitaemia or 09 parasites in 100 mu l of blood. The de-novo diagnostic cox3 PCR did not cross react with control positive DNA from other haemoprotozoa and rickettsia like B. vogeli, Hepatozoon canis, Trypanosoma evansi, Ehrlichia cants and Anaplasma platys. Statistically, cox3 PCR had better diagnostic efficiency than ITS-1 PCR in terms of sensitivity (p = 0.0006). No statistically significant difference between results of cox3 PCR and 18S nPCR was observed (p = 0.1760). Kappa values estimated for each test pair showed fair to moderate agreement between the observations. Specificity of Bgcox3 PCR was 100% when compared with microscopy or BgITS-1 PCR. Sensitivity of Bgcox3 PCR was 100% when compared with that of Bg18S nPCR.

10aBabesia gibsoni10acox310aDiagnosis10aDog10amitochondria10amolecular1 aBetgiri, Aishwarya, A.1 aJadhav, Sameer, N.1 aPawde, Mrunalini1 aShukla, Anurag1 aMote, Chandrashekhar1 aPawar, Prashant, D.1 aShanmugam, Dhanasekaran1 aKundu, Krishnendu uhttps://library.ncl.res.in/content/mitochondrial-cytochrome-oxidase-c-subunit-iii-cox3-gene-sensitive-and-specific-target02249nas a2200157 4500008004100000022001400041245008400055210006900139260000900208300001400217490000700231520169300238100001601931700003001947856011401977 2019 eng d a1477-922600aMorphology-dependent, green, and selective catalytic styrene oxidation on Co3O40 aMorphologydependent green and selective catalytic styrene oxidat cAPR  a4574-45810 v483 a

Despite the great successes in the controlled fabrication of nanomaterials with specific composition and morphology, it is still challenging to have the desired control on the defect sites of catalyst materials. For unfolding the mystery of this aspect, catalytic styrene epoxidation was attempted on spinel Co3O4 with two different morphologies, namely, SNR (nanorods prepared by the solvothermal method with the (110) facet), HNR (nanorods prepared by the hydrothermal methodwith the (111) facet) and NC (nanocubes with the (110) facet) were synthesized and subjected to olefin oxidation with O-2. Even without any catalyst pretreatment, all three Co3O4 catalyst systems were found to be active for selective epoxidation of styrene with O-2 at ambient pressure in the liquid phase. The correlation between catalytic activity and selectivity trend suggests that the reaction is highly structure-sensitive and facile on the (110) facet. Temperature-dependent near ambient pressure X-ray photoelectron spectroscopy (NAPXPS) was carried out at 0.1 mbar O-2 pressure to understand the mechanistic aspects. The distinct catalytic activity of NC (110) and SNR (110) can be attributed to the population of defect sites on the catalyst surface. NC morphology with comparatively fewer defect sites shows high activity and selectivity, suggesting that styrene oxidation on Co3O4 is structure-sensitive; however, unlike metal surfaces, fewer defects are more favourable for catalytic styrene epoxidation due to facile adsorption and activation of the substrate and O-2 on Co3+ sites. The present investigations suggest that surface defects need not necessarily increase catalytic activity.

1 aJain, Ruchi1 aGopinath, Chinnakonda, S. uhttps://library.ncl.res.in/content/morphology-dependent-green-and-selective-catalytic-styrene-oxidation-co3o401841nas a2200277 4500008004100000022001400041245006900055210006600124260000800190300001200198490000800210520104000218653001601258653001501274653001101289653001501300653000801315653000801323100002201331700002601353700001801379700002401397700001801421700002401439856010001463 2019 eng d a0925-838800aMWCNTs-ZnO-SiO2 mesoporous nano-hybrid materials for CO2 capture0 aMWCNTsZnOSiO2 mesoporous nanohybrid materials for CO2 capture cSEP a279-2850 v8003 a

Carbon nanostructures and metal nanoparticles based nanohybrid materials have been established as one of advantageous materials for various applications. Here, we present hydrothermal and sol-gel process at low temperature for the synthesis of (3-Aminopropyl) triethoxysilane (APTES)-ZnO-multi-walled carbon nanotubes (MWCNTs) mesoporous nanohybrid materials. TEM and XPS measurements show that uniform size and quasi-spherical ZnO nanoparticles were anchored to the surface of the MWCNTs. SEM observation exhibits that the aggregation of ZnO nanoparticles is greatly reduced due to the steric repulsion of grafted organic groups. The maximum CO2 adsorption capacity at 273 K was 1.32 mmol/g for MWCNTs-APTES-ZnO-B nanohybrid. An increase in the density of ZnO nanoparticles on the surface of MWCNTs resulted in a higher affinity towards CO2 at low pressure. This work provides new research directions for making further advances toward practical utilization of MWCNTs-based CO2 adsorbents. (C) 2019 Published by Elsevier B.V.

10aCO2 capture10aMesoporous10aMWCNTs10aNanohybrid10aTEM10aXPS1 aJena, Kishore, K.1 aPanda, Amulya, Prasad1 aVerma, Savita1 aMani, Ganesh, Kumar1 aSwain, S., K.1 aAlhassan, Saeed, M. uhttps://library.ncl.res.in/content/mwcnts-zno-sio2-mesoporous-nano-hybrid-materials-co2-capture01957nas a2200229 4500008004100000022001400041245010000055210006900155260000800224300001200232490000800244520121400252653001201466653000801478653001801486653001601504653002401520100002001544700001901564700001801583856012601601 2019 eng d a0039-602800aNature of electrophilic oxygen: insights from periodic density functional theory investigations0 aNature of electrophilic oxygen insights from periodic density fu cJAN a188-1950 v6793 a

Increasing demand of ethylene oxide and the cost of versatile chemical ethene has been a driving force for understanding mechanism of epoxidation to develop highly selective catalytic process. Direct epoxidation is a proposed mechanism which in theory provides 100% selectivity. A key aspect of this mechanism is an electrophilic oxygen (O-ele) species forming on the Ag surface. In the past two and half decades, large number of theoretical and experimental investigations have tried to elucidate formation of O-ele, on Ag surface with little success. Equipped with this rich literature on Ag-O interactions, we investigate the same using periodic DFT calculations to further understand how silver surface and oxygen interact with each other from a chemical standpoint. Based on energetics, Lowdin charges, topologies and pdos data described in this study, we scrutinize the established notions of O-ele. Our study provides no evidence in support of O-ele, being an atomic species nor a diatomic molecular species. In fact, a triatomic molecular species described in this work bears multiple signatures which are very convincing evidence for considering it as the most sought for electrophilic entity.

10aAg(100)10aDFT10aElectrophilic10aepoxidation10aNucleophilic oxygen1 aKenge, Nivedita1 aPitale, Sameer1 aJoshi, Kavita uhttps://library.ncl.res.in/content/nature-electrophilic-oxygen-insights-periodic-density-functional-theory-investigations02465nas a2200253 4500008004100000022001400041245010100055210006900156260000900225300001400234490000700248520158800255653002701843653001601870653002001886653002601906100002201932700002501954700002101979700002502000700002602025700002802051856013202079 2019 eng d a0887-624X00aNew cardo bisphenol monomer containing pendant azido group and the resulting aromatic polyesters0 aNew cardo bisphenol monomer containing pendant azido group and t cJUL  a1516-15260 v573 a

Expanding on our strategy to synthesize aromatic step-growth polymers containing pendant clickable azido groups via functional monomer approach, we have now designed and synthesized a new cardo bisphenol, viz., 2-(2-azidoethyl)-3, 3-bis(4-hydroxyphenyl) isoindolin-1-one (PPH-N-3). PPH-N-3 was conveniently synthesized starting from commercially available phenolphthalein by a three-step route in an overall yield of 65% using simple organic transformations. Aromatic (co)polyesters bearing pendant azido groups were synthesized by low-temperature solution polycondensation of PPH-N-3 or different molar ratios of PPH-N-3 and bisphenol-A (BPA) with aromatic diacid chlorides in dry dichloromethane in the presence of triethylamine (TEA) as a base. The formation of medium to reasonably high-molecular-weight (co)polyesters was evidenced from intrinsic viscosity and number-average molecular-weight measurements that were in the range 0.52-0.85 dL/g and 16,700-28,200, respectively. Tough, transparent, and flexible films could be cast from chloroform solutions of these (co)polyesters. (Co)polyesters were characterized using FTIR, H-1 NMR, C-13 NMR spectroscopy, XRD, and TGA. The thermal curing reaction of (co)polyesters involving decomposition of azido groups was studied by DSC analysis. The chemical modification of a representative copolyester containing pendant azido groups was carried out quantitatively using catalyst-free azide-maleimide cycloaddition reaction with two maleimides, namely, N-methylmaleimide and N-hexylmaleimide. (c) 2019 Wiley Periodicals, Inc.

10aaromatic (co)polyester10aazido group10acardo bisphenol10aChemical modification1 aMaher, Deepak, M.1 aNagane, Samadhan, S.1 aJadhav, Uday, A.1 aSalunkhe, Pravin, H.1 aTawade, Bhausaheb, V.1 aWadgaonkar, Prakash, P. uhttps://library.ncl.res.in/content/new-cardo-bisphenol-monomer-containing-pendant-azido-group-and-resulting-aromatic-polyesters02299nas a2200313 4500008004100000022001400041245011600055210006900171260000900240300001600249490000700265520120800272653002201480653004201502653002301544653001901567653002101586653002201607653003601629653002401665653001901689653003901708100002401747700001601771700002701787700002601814700001701840856012801857 2019 eng d a0272-884200aNew insights into surface functionalization and preparation methods of MWCNT based semiconductor photocatalysts0 aNew insights into surface functionalization and preparation meth cAUG  a14490-144990 v453 a

The manuscript primarily describes the influence of various synthesis strategies on the photocatalytic properties of MWCNT/TiO2 binary nanohybrids. The multiwalled carbon nanotube modified titania hybrids synthesized via two-step reaction involving the covalent functionalization with green and mild oxidizing agent like H2O2, followed by simple surfactant/template free hydrothermal synthesis exhibited the maximum photocatalytic efficiency. The Total Organic Carbon (TOC) analysis showed complete mineralization of the persistent Rhodamine B dye in about 8 h. These synthesized nanohybrids in varying MWCNT content were tested for their photocatalytic efficiency in the degradation of explosive effluents like 4-nitrophenol and picric acid. The UV-Vis diffuse reflectance spectroscopy (UV-Vis DRS), X-ray photoelectron spectroscopy (XPS), Brunauer Emmett Teller Surface area analysis (BET), Fourier transform infrared spectroscopy (FT-IR), Transmission electron microscopy (TEM) and Raman spectra analysis evidently revealed the effective synergistic interaction between the MWCNT and titania at the interface that has contributed to the significant enhancement of photocatalytic performance.

10aFunctionalization10aMultiwalled carbon nanotubes (MWCNTs)10aNitrophenol (4-NP)10aPhotocatalysis10aPicric acid (PA)10aRhodamine B (RhB)10aSol gel and hydrothermal method10asynergistic effects10aTitania (TiO2)10aTotal organic carbon content (TOC)1 aJoseph, Honey, Mary1 aSugunan, S.1 aGurrala, Lakshmiprasad1 aMohan, Mothi, Krishna1 aGopi, Soumya uhttps://library.ncl.res.in/content/new-insights-surface-functionalization-and-preparation-methods-mwcnt-based-semiconductor01869nas a2200241 4500008004100000022001400041245013600055210006900191260000800260300001200268490000600280520105500286653001701341653001901358653001201377653001401389653001101403653002901414100002201443700001801465700002001483856012401503 2019 eng d a2155-543500aNickel-catalyzed straightforward and regioselective C-H alkenylation of indoles with alkenyl bromides: scope and mechanistic aspect0 aNickelcatalyzed straightforward and regioselective CH alkenylati cJAN a431-4410 v93 a

Nickel-catalyzed regioselective C-H bond alkenylation of indoles and related heteroarenes with alkenyl bromides is accomplished under relatively mild conditions. This method allows the straightforward synthesis of C-2 alkenylated indoles employing an air-stable and well-defined nickel catalyst, (bpy)NiBr2, providing a solution to the limitations associated with hydroindolation and oxidative alkenylation. The reaction conceded the coupling of indole derivatives with various alkenyl bromides, such as aromatic and heteroaromatics, alpha- and beta-substituted as well as exo- and endo-cyclic alkenyl compounds. An extensive mechanistic investigation, including controlled study, reactivity experiments, kinetics and labeling studies, and EPR and XPS analyses, highlights that the alkenylation proceeds through a single-electron transfer process comprising an odd-electron oxidative addition of alkenyl bromide. Furthermore, the alkenylation operates via a probable Ni(I)/Ni(III) pathway involving the rate-limiting C-H nickelation of indole.

10aalkenylation10aC-H activation10aindoles10aMechanism10aNickel10asingle-electron transfer1 aJagtap, Rahul, A.1 aVinod, C., P.1 aPunji, Benudhar uhttps://library.ncl.res.in/content/nickel-catalyzed-straightforward-and-regioselective-c-h-alkenylation-indoles-alkenyl01924nas a2200265 4500008004100000022001400041245018700055210006900242260000800311520091700319653001801236653002001254653002501274653003301299653001801332653003001350100001901380700002201399700002201421700002001443700002001463700002201483700002601505856012701531 2019 eng d a0739-110200aNMR structure and dynamics of inhibitory repeat domain variant 12, a plant protease inhibitor from Capsicum annuum, and its structural relationship to other plant protease inhibitors0 aNMR structure and dynamics of inhibitory repeat domain variant 1 cAPR3 a

Although several plant protease inhibitors have been structurally characterized using X-ray crystallography, very few have been studied using NMR techniques. Here, we report an NMR study of the solution structure and dynamics of an inhibitory repeat domain (IRD) variant 12 from the wound-inducible Pin-II type proteinase inhibitor from Capsicum annuum. IRD variant 12 (IRD12) showed strong anti-metabolic activity against the Lepidopteran insect pest, Helicoverpa armigera. The NMR-derived three-dimensional structure of IRD12 reveals a three-stranded anti-parallel beta-sheet rigidly held together by four disulfide bridges and shows structural homology with known IRDs. It is interesting to note that the IRD12 structure containing similar to 75% unstructured part still shows substantial amount of rigidity of N-H bond vectors with respect to its molecular motion. Communicated by Ramaswamy H. Sarma

10aBt transgenic10aCapsicum annuum10aHelicoverpa armigera10ainhibitory repeating domains10aNMR structure10aProtease inhibitors (PIs)1 aGartia, Janeka1 aAnangi, Raveendra1 aJoshi, Rakesh, S.1 aGiri, Ashok, P.1 aKing, Glenn, F.1 aBarnwal, Ravi, P.1 aChary, Kandala, V. R. uhttps://library.ncl.res.in/content/nmr-structure-and-dynamics-inhibitory-repeat-domain-variant-12-plant-protease-inhibitor02855nas a2200337 4500008004100000022001400041245014000055210006900195260000800264300001200272490000700284520166800291653002401959653002801983653003502011653002202046653004102068653002302109100002302132700002202155700003002177700002702207700002302234700002202257700002102279700002602300700002002326700002002346700001902366856013202385 2019 eng d a1573-409900aNon nucleoside reverse transcriptase inhibitors, molecular docking studies and antitubercular activity of thiazolidin-4-one derivatives0 aNon nucleoside reverse transcriptase inhibitors molecular dockin cJAN a433-4440 v153 a

Background: Management of Co-existence of Acquired immunodeficiency syndrome and Tuberculosis has become a global challenge due to the emergence of resistant strains and pill burden. Objective: Hence the aim of the present work was to design and evaluate compounds for their dual activity on HIV-1 and Tuberculosis (TB). Methods: A series of seven, novel Thiazolidin-4-one derivatives were synthesized and evaluated for their anti-HIV and anti-tubercular activity along with Molecular docking studies. All the seven compounds displayed promising activity against the replication of HIV-1 in cell-based assays. The four most active compounds were further evaluated against X4 tropic HIV-1(UG)(070) and R5 tropic HIV-1(vB59) primary isolates. The binding affinity of all the designed compounds for HIV-RT and Mycobacterium tuberculosis Enol Reductase (MTB InhA) was gauged by molecular docking studies which revealed crucial thermodynamic interactions governing their binding. Results: The CC50 values for the test compounds were in the range of, 15.08-34.9 mu g/ml, while the IC50 values were in the range of 16.1-27.13(UG(070); X4) and 12.03-23.64 (VB59; R5) mu g/ml. The control drug Nevirapine (NVP) exhibited CC50 value of 77.13 mu g/ml and IC50 value of 0.03 mu g/ml. Amongst all these compounds, compound number 3 showed significant activity with a TI value of 2.167 and 2.678 against the HIV-1 X4 and the R5 tropic virus respectively. In anti-mycobacterial screening, the compounds proved effective in inhibiting the growth of both log phase and starved MTB cultures. Conclusion: Compound 3 has been found to be active against HIV-1 as well as MTB.

10aanti-HIV-1 activity10aAntitubercular activity10ahuman immunodeficiency virus-110aMolecular docking10aNon nucleoside reverse transcriptase10athiazolidin-4-ones1 aChitre, Trupti, S.1 aPatil, Shital, M.1 aSujalegaonkar, Anagha, G.1 aAsgaonkar, Kalyani, D.1 aKhedkar, Vijay, M.1 aGarud, Dinesh, R.1 aJha, Prakash, C.1 aGaikwad, Sharddha, Y.1 aKulkarni, Smita1 aChoudhari, Amit1 aSarkar, Dhiman uhttps://library.ncl.res.in/content/non-nucleoside-reverse-transcriptase-inhibitors-molecular-docking-studies-and-antitubercular01497nas a2200169 4500008004100000245012000041210006900161260000800230300001600238490000600254520087300260100001701133700001901150700001301169700001801182856012701200 2019 eng d00aNonoxidative dehydrogenation of methanol to methyl formate through highly stable and reusable CuMgO-based catalysts0 aNonoxidative dehydrogenation of methanol to methyl formate throu cJAN a1854–18600 v43 a

Nonoxidative dehydrogenation of methanol to methyl formate over a CuMgO-based catalyst was investigated. Although the active site is metallic copper (Cu0), the best reaction conditions were obtained by tuning the ratio of Cu/Mg and doping the catalyst with 1 wt % of Pd to achieve a very specific activity for methyl formate synthesis. On the basis of the CO2 temperature-programmed desorption study, the basic strength of the catalyst plays a role in the efficient conversion of methanol to methyl formate via dehydrogenation. These CuMgO-based catalysts show excellent thermal stability during the reaction and the regeneration processes. Approx. 80% methanol conversion with constant selectivity to methyl formate was achieved even after 4 rounds of usage for a total reaction time exceeding 200 h, indicative of their potential for practical applications.

1 aJ., Yuan, D.1 aHengne, A., M.1 aSaih, Y.1 aHuang, K., W. uhttps://library.ncl.res.in/content/nonoxidative-dehydrogenation-methanol-methyl-formate-through-highly-stable-and-reusable02040nas a2200265 4500008004100000022001400041245010000055210006900155260000800224300001200232490000700244520119000251653001401441653001001455653002901465653002001494653003501514653001001549100002101559700001701580700001801597700001601615700002201631856012101653 2019 eng d a1600-577500aOperando X-ray absorption spectroscopy study of the Fischer-Tropsch reaction with a Co catalyst0 aOperando Xray absorption spectroscopy study of the FischerTropsc cJAN a137-1440 v263 a

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

10acatalysis10aEXAFS10aFischer-Tropsch reaction10ain situ studies10astructure-activity correlation10aXANES1 aNayak, Chandrani1 aJain, Preeti1 aVinod, C., P.1 aJha, S., N.1 aBhattacharyya, D. uhttps://library.ncl.res.in/content/operando-x-ray-absorption-spectroscopy-study-fischer-tropsch-reaction-co-catalyst02366nas a2200397 4500008004100000022001400041245013600055210006900191260000800260300000900268490000700277520113700284100002401421700002701445700001601472700001801488700002001506700001901526700002101545700002201566700001701588700001601605700001601621700002201637700001601659700001801675700001701693700001801710700001601728700001601744700001701760700002301777700002001800700001901820856012901839 2019 eng d a2041-172300aPathways to defense metabolites and evading fruit bitterness in genus Solanum evolved through 2-oxoglutarate-dependent dioxygenases0 aPathways to defense metabolites and evading fruit bitterness in  cNOV a51690 v103 a

The genus Solanum comprises three food crops (potato, tomato, and eggplant), which are consumed on daily basis worldwide and also producers of notorious anti-nutritional steroidal glycoalkaloids (SGAs). Hydroxylated SGAs (i.e. leptinines) serve as precursors for leptines that act as defenses against Colorado Potato Beetle (Leptinotarsa decemlineata Say), an important pest of potato worldwide. However, SGA hydroxylating enzymes remain unknown. Here, we discover that 2-OXOGLUTARATE-DEPENDENT-DIOXYGENASE (2-ODD) enzymes catalyze SGA-hydroxylation across various Solanum species. In contrast to cultivated potato, Solanum chacoense, a widespread wild potato species, has evolved a 2-ODD enzyme leading to the formation of leptinines. Furthermore, we find a related 2-ODD in tomato that catalyzes the hydroxylation of the bitter a-tomatine to hydroxytomatine, the first committed step in the chemical shift towards downstream ripening-associated non-bitter SGAs (e.g. esculeoside A). This 2-ODD enzyme prevents bitterness in ripe tomato fruit consumed today which otherwise would remain unpleasant in taste and more toxic.

1 aCardenas, Pablo, D.1 aSonawane, Prashant, D.1 aHeinig, Uwe1 aJozwiak, Adam1 aPanda, Sayantan1 aAbebie, Bekele1 aKazachkova, Yana1 aPliner, Margarita1 aUnger, Tamar1 aWolf, Dalia1 aOfner, Itai1 aVilaprinyo, Ester1 aMeir, Sagit1 aDavydov, Olga1 aGal-On, Amit1 aBurdman, Saul1 aGiri, Ashok1 aZamir, Dani1 aScherf, Tali1 aSzymanski, Jedrzej1 aRogachev, Ilana1 aAharoni, Asaph uhttps://library.ncl.res.in/content/pathways-defense-metabolites-and-evading-fruit-bitterness-genus-solanum-evolved-through-202795nas a2200265 4500008004100000022001400041245014500055210006900200260000800269300001400277490000900291520187200300653001902172653001602191653001702207653002302224653001802247100002702265700002202292700002002314700002002334700002402354700002002378856013102398 2019 eng d a0304-416500aPhyto-inspired cyclic peptides derived from plant Pin-II type protease inhibitor reactive center loops for crop protection from insect pests0 aPhytoinspired cyclic peptides derived from plant PinII type prot cAUG a1254-12620 v18633 a

Background: Natural defence of plants against insect pests involves protease inhibitors (PIs) that interfere with insect digestive proteases. Pin-II type plant PIs are wound inducible upon insect damage and possess multiple inhibitory repeat domains that can inhibit trypsin and chymotrypsin-like proteases in the insect midgut. Yet, their agricultural ex-vivo application is limited due to large molecular size and environmental instability, which could be overcome by small peptides. Methods: Bicyclic peptides were designed by grafting Pin-II PIs derived reactive center loop (RCL) on synthetic tris(bromomethyl)benzene scaffold. In vitro binding with trypsin-like proteases was evaluated by biochemical and biophysical assays, followed by molecular dynamics simulations. In vivo effects on two major lepidopteran insect pests, Helicoverpa armigera and Spodoptera litura were studied upon feeding with peptide treated leaves. Affinity based pull down assays were used to identify target proteins in insect gut. Results: Bicyclic RCLs showed ten-fold enhanced protease inhibition compared to their linear counterparts. They exhibited feeding deterrence and growth reduction of lepidopteran insects. Bicyclic peptides predominantly interact with midgut serine proteases. Possible binding modes involve simultaneous interaction with the active site and specificity-determining residues of insect gut trypsin. Conclusion: Bicyclic peptides are potent inhibitors of serine proteases in the insect midgut. They cause feeding aversion and larval growth retardation. Bi-domain cyclic peptides interact with two sites on trypsin, leading to enhanced efficacy over linear RCL peptides. General significance: Bicyclic peptides mimic natural PIs by inhibiting insect proteases leading to growth reduction, thus, could be used as pest control molecules in agriculture.

10aCyclic peptide10aLepidoptera10aPest control10aprotease inhibitor10aReactive loop1 aSailthedkar, Nidhi, S.1 aJoshi, Rakesh, S.1 aYadav, Amit, K.1 aSeal, Shubhendu1 aFernandes, Moneesha1 aGiri, Ashok, P. uhttps://library.ncl.res.in/content/phyto-inspired-cyclic-peptides-derived-plant-pin-ii-type-protease-inhibitor-reactive-center01928nas a2200253 4500008004100000245010700041210006900148260000800217300001100225490000700236520102400243100001901267700002901286700002401315700002001339700002801359700003101387700002701418700003401445700002101479700002601500700001701526856013101543 2019 eng d00aPopulation genetic and phytochemical dataset of Saraca asoca: a traditionally important medicinal tree0 aPopulation genetic and phytochemical dataset of Saraca asoca a t cAUG a1041730 v253 a

The data presented in this article is in support of the research paper “Genetic and phytochemical investigations for understanding population variability of the medicinally important tree Saraca asoca to help develop conservation strategies” Hegde et al., 2018. This article provides PCR based Inter-Simple Sequence Repeat (ISSR) and HPLC datasets of 106 individual samples of Saraca asoca collected from various geographical ranges of the Western Ghats of India. The ISSR data includes information on genetic diversity and images of population structures generated through amplified DNA products from samples of Saraca asoca leaf. Phytochemical data obtained from HPLC includes concentration (mg/g) of gallic acid (GA), catechin (CAT), and epicatechin (EPI). The data also presents information obtained from various statistical analysis viz. standard error of the mean values, distribution variables, prediction accuracy, and multiple logistic regression analysis.

1 aHegde, Satisha1 aPai, Sandeep, Ramchandra1 aBhagwat, Rasika, M.1 aSainia, Archana1 aRathore, Poonam, Kanwar1 aJalalpure, Sunil, Satyappa1 aHegde, Harsha, Vasudev1 aSugunan, Attayoor, Purushotta1 aGupta, Vidya, S.1 aKholkute, Sanjiva, D.1 aRoy, Subarna uhttps://library.ncl.res.in/content/population-genetic-and-phytochemical-dataset-saraca-asoca-traditionally-important-medicinal02277nas a2200253 4500008004100000022001400041245010300055210006900158260000900227300001100236490000900247520140000256653002301656653001601679653001901695653001601714653004201730653002101772100002901793700001701822700002701839700002601866856013101892 2019 eng d a2210-271X00aProbing the catalytic activity of pristine and doped Pd and Ni metal clusters towards H2O molecule0 aProbing the catalytic activity of pristine and doped Pd and Ni m cDEC  a1126240 v11703 a

Electrolysis of H2O to produce molecular hydrogen, the most environment friendly and energy efficient fuel, using cost effective catalysts is one of the major global research challenges. To date, Pt remains the best suitable and yet highly expensive electro-catalyst for hydrogen evolution reaction. Design of an alternative cost-effective catalyst requires a fundamental molecular level understanding of the water molecule adsorption and its activation. In that context, we examine the adsorption and activation of water molecule on model alternative catalysts namely, Ni-6 and Pd-6 clusters using density functional theory based methodology. Ni-6 and Pd-6 clusters and their singly doped counterparts are used for this study. Mo, W, Fe, Co and Cu are used as doping elements. To quantify the influence of medium (neutral and alkaline) on the activation of the water molecule, Ni based clusters are considered in neutral and anionic states, respectively. The activity of these clusters towards H2O molecule is evaluated in terms of the adsorption energy, charge transfer, bandgap, red shift in O-H stretching frequency and dissociation barriers for H2O. The studies demonstrate that doping with Co in all the studied clusters (Pd-6, Ni-6 and anionic Ni-6) increases their activity. Best activity is noted for Fe doped neutral Ni b clusters with a dissociation barrier of 5.76 kcal/mol.

10aActivation barrier10aNi clusters10aO-H activation10aPd clusters10aRed shift of O-H stretching frequency10aWater adsorption1 aSamal, Pragnya, Paramita1 aJoshi, Krati1 aKaliaperumal, Selvaraj1 aKrishnamurty, Sailaja uhttps://library.ncl.res.in/content/probing-catalytic-activity-pristine-and-doped-pd-and-ni-metal-clusters-towards-h2o-molecule03244nas a2200241 4500008004100000245011700041210006900158260000800227300001600235490000700251520241500258100002402673700002002697700002002717700001802737700001602755700001902771700002102790700001902811700002102830700001902851856013202870 2019 eng d00aProbing the effect of selenium substitution in kesterite-Cu2ZnSnS4 nanocrystals prepared by hot injection method0 aProbing the effect of selenium substitution in kesteriteCu2ZnSnS cAUG a14781-147900 v303 a

In this paper, we report the effect of sulfur (S) substitution with selenium (Se) in CZTS nanocrystals prepared by hot injection method. The formation of kesterite-copper zinc tin sulfide (Cu2ZnSnS4, CZTS) and copper zinc tin selenide (Cu2ZnSnSe4, CZTSe) nanocrystals is confirmed by X-ray diffraction (XRD), Raman spectroscopy and transmission electron microscopy (TEM) analysis. The XRD, TEM and atomic force microscopy (AFM) analysis shows an overall increase in average crystallite size upon Se substitution. AFM images revealed an increase in root mean square surface roughness (S-q) and average surface roughness (S-a) when S in CZTS is replaced by Se. The substitution of S by Se in host CZTS narrows the optical band gap from 1.56 to 1.03 eV. The ultraviolet photoelectron spectroscopy (UPS) analysis shows shift in valence band and conduction band edge in CZTSe compared to CZTS. The photocurrent density measurement in synthesized CZTSe thin films is similar to 4 to 5 times higher than CZTS thin films. The obtained results show that CZTSe can be a promising candidate as absorber material in photovoltaic applications.

1 aPandharkar, Subhash1 aRondiya, Sachin1 aBhorde, Ajinkya1 aNair, Shruthi1 aAher, Rahul1 aVairale, Priti1 aWaghmare, Ashish1 aNaik, Dhirsing1 aWaykar, Ravindra1 aJadhav, Yogesh uhttps://library.ncl.res.in/content/probing-effect-selenium-substitution-kesterite-cu2znsns4-nanocrystals-prepared-hot-injection02377nas a2200229 4500008004100000022001400041245010200055210006900157260000800226300001200234490000700246520158300253653002601836653002601862653001801888653001101906100002601917700002801943700002701971700002601998856012302024 2019 eng d a0944-134400aProcess development of silica extraction from RHA: a cradle to gate environmental impact approach0 aProcess development of silica extraction from RHA a cradle to ga cJAN a492-5000 v263 a

India is one of the major rice-producing countries. Rice husk is a major agricultural by-product from rice production, which is used as a fuel in boilers. Its use as fuel produces huge amounts of silica-rich rice husk ash (RHA). This paper aims at providing an overall assessment of environmental impacts associated with the extraction of silica from RHAa process developed by our study group. The functional unit used in this study is production of 100kg of silica. The analysis included the extraction and transportation of other raw materials; RHA was assumed to be processed at the site. The study was conducted in accordance with the international ISO 14040 procedural framework. LCA is performed using GaBi Education software, and five midpoint indicators are chosen to assess the environmental impacts of silica extraction. The overall climate change (CC) of the extraction process is 7.26kg CO2 equivalent per kg of silica produced. A high contribution of calcination to CC is attributed to the use of electricity. The comprehensive environmental impacts of silica-rich RHA resulting from processing of RHA and improvement options to achieve sustainable production are presented. The negative impacts that can be avoided during silica extraction are also discussed. It is observed that calcination is a major contributor to the overall environmental indicators. The work also stresses on the use of renewable energy for electricity generation, which would help in decreasing the overall greenhouse gas emissions during extraction while ensuring waste utilization.

10aEnvironmental impacts10aLife cycle assessment10aRice husk ash10asilica1 aJoglekar, Saurabh, N.1 aKharkar, Rhushikesh, A.1 aMandavgane, Sachin, A.1 aKulkarni, Bhaskar, D. uhttps://library.ncl.res.in/content/process-development-silica-extraction-rha-cradle-gate-environmental-impact-approach02394nas a2200145 4500008004100000245014300041210006900184260000800253490000800261520180200269100001502071700002302086700001602109856012302125 2019 eng d00aRaman and Na-23 solid-state NMR studies on the lead-free ferroelectrics Bi-0.5(Na1-xKx)(0.5)TiO3 in the morphotropic phase boundary region0 aRaman and Na23 solidstate NMR studies on the leadfree ferroelect cOCT0 v1183 a

The local structural changes, due to the substitution of the smaller Na+ by the larger K+ ion, in the lead-free piezoelectric ceramic compositions Bi-0.5(Na1-xKx)(0.5)TiO3 have been studied using Raman and Na-23 solid-state NMR spectroscopy. Different close compositions in the solid solution series Bi-0.5(Na1-xKx)(0.5)TiO3 (0 <= x <= 0.36, Delta x = 0.02) are studied in the morphotropic phase boundary (MPB) region arising from the different crystal structures of the end members Bi0.5Na0.5TiO3 and Bi0.5K0.5TiO3. Close correlations between the Raman and NMR parameters with the performance parameters of the system have been observed, suggesting the role of the local structural changes in determining these parameters. Raman and Na-23 NMR studies showed that the onset of the MPB region is at x = 0.16 and the MPB region corresponds to 0.16 <= x <= 0.24 where better performance parameters are observed.

1 aAnjali, K.1 aAjithkumar, T., G.1 aJoy, P., A. uhttps://library.ncl.res.in/content/raman-and-na-23-solid-state-nmr-studies-lead-free-ferroelectrics-bi-05na1-xkx05tio301362nas a2200169 4500008004100000245010900041210006900150260000800219300001400227490000700241520072800248100002000976700002600996700002101022700002501043856012401068 2019 eng d00aReusable cobalt catalyst for reversible acceptorless dehydrogenation and hydrogenation of N-Heterocycles0 aReusable cobalt catalyst for reversible acceptorless dehydrogena cMAY a2449-24570 v113 a

The development of robust catalytic systems based on basemetals for reversible acceptorless dehydrogenation (ADH) and hydrogenation of feedstock chemicals is very important in the context of ` hydrogen storage'. Herein, we report a highly efficient reusable cobalt-based heterogeneous catalyst for reversible dehydrogenation and hydrogenation of N-heterocycles. Both the ADH and the hydrogenation processes operate under mild, benign conditions.

1 aJaiswal, Garima1 aSubaramanian, Murugan1 aSahoo, Manoj, K.1 aBalaraman, Ekambaram uhttps://library.ncl.res.in/content/reusable-cobalt-catalyst-reversible-acceptorless-dehydrogenation-and-hydrogenation-n01845nas a2200157 4500008004100000022001400041245010300055210006900158260000800227300001000235520123900245100003401484700002701518700001701545856012501562 2019 eng d a0021-899500aRole of particle morphology in the yielding behavior of dense thermosensitive microgel suspensions0 aRole of particle morphology in the yielding behavior of dense th cOCT a486253 a

The yielding behavior of dense thermosensitive microgel suspensions of poly(N-isopropylacrylamide) with two different particle morphologies viz core-shell (CS) morphology and particles with uniform crosslink density were studied. Structural properties were examined using dynamic light scattering and yielding behavior was investigated by nonlinear oscillatory rheology. Suspensions of particles with uniform crosslinking density showed a typical hard sphere like behavior with the loss modulus (G `') exhibiting a single peak due to cage breaking while CS type particles shows a double yielding at different ranges of strain similar to that seen in attractive colloidal glasses. The first yielding process in CS microgels is interpreted as due to the disentanglement of the overlapped polymer chains from the shells of the neighboring microgels and the second yielding process due to the breakage of cages formed by neighboring microgel particles. Current study suggests that the interpenetration of polymer chains at high concentrations sets in an attractive like potential leading to double yielding phenomena in an otherwise purely repulsive system. (c) 2019 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2019, 137, 48625.

1 aJathavedan, Kiran, Kaithakkal1 aKanheerampockil, Fayis1 aBhat, Suresh uhttps://library.ncl.res.in/content/role-particle-morphology-yielding-behavior-dense-thermosensitive-microgel-suspensions01784nas a2200229 4500008004100000022001400041245010700055210006900162260000900231300001200240490000700252520098500259100003001244700001701274700001501291700002701306700001701333700001901350700003001369700002401399856013101423 2019 eng d a1948-718500aRole of structural distortion in stabilizing electrosynthesized blue emitting phosphorene quantum dots0 aRole of structural distortion in stabilizing electrosynthesized  cMAR  a973-9800 v103 a

Luminescent phosphorene quantum dots (PQDs) have emerged as fascinating nanomaterials for potential applications in optoelectronics, catalysis, and sensing. Herein, we investigate the structural distortion of black phosphorus (BP) under an applied electric field to yield blue luminescent PQDs [average diameter 8 +/- 1.5 nm (N = 60)]. The electrosynthesized PQDs exhibit photoluminescence emission independent of excitation wavelength with 84% quantum efficiency. Structural distortion that occurred during the transformation of BP to PQDs is confirmed by results obtained during transmission electron microscopy, X-ray diffraction and X-ray photoelectron spectroscopy. Further, using first-principles-based density functional theory, calculations on oxygenated and nonoxygenated PQDs augment the experimental observations that an optimum oxygen content maintains the structural integrity of PQDs, above which the structural robustness of PQDs is drastically diminished.

1 aValappil, Manila, Ozhukil1 aJoshi, Krati1 aJohn, Lisa1 aKrishnamurthy, Sailaja1 aJana, Bikash1 aPatra, Amitava1 aPillai, Vijayamohanan, K.1 aAlwarappan, Subbiah uhttps://library.ncl.res.in/content/role-structural-distortion-stabilizing-electrosynthesized-blue-emitting-phosphorene-quantum00874nas a2200133 4500008004100000245008000041210006900121260000800190300001600198520038800214100001700602700001600619856010500635 2019 eng d00aScalable synthesis of both enantiomers of vigabatrin, an antiepileptic drug0 aScalable synthesis of both enantiomers of vigabatrin an antiepil cFEB a1257–12603 a

Vigabatrin is a potent inhibitor of gamma‐aminobutyric acid (GABA) catabolism used for the treatment of epilepsy. Here we have synthesized both enantiomers of the drug vigabatrin in five steps from known intermediates using Wittig olefination and pyrolytic elimination as key steps. The target compounds are synthesized in gram scale amounts with >98 % enantiopurity.

1 aJachak, G.R.1 aReddy, D.S. uhttps://library.ncl.res.in/content/scalable-synthesis-both-enantiomers-vigabatrin-antiepileptic-drug01578nas a2200169 4500008004100000022001400041245012400055210006900179260000900248300001400257490000700271520093500278100002101213700002201234700002001256856013201276 2019 eng d a0276-733300aScope and mechanistic aspect of nickel-catalyzed alkenylation of benzothiazoles and related azoles with styryl bromides0 aScope and mechanistic aspect of nickelcatalyzed alkenylation of  cJUN  a2422-24300 v383 a

Alkenylation of benzothiazoles and related azoles with alkenyl bromides is achieved employing the well-defined and air-stable nickel complexes, (bpy)NiBr2 and [Ni(bpy)(3)] [NiBr4], as catalysts. Numerous electronically distinct alkenyl bromides efficiently coupled with substituted benzothiazoles, oxazoles, and benzimidazoles under the catalytic conditions to afford 2-alkenylated azoles. An extensive mechanistic study of the alkenylation of benzothiazole using (bpy)NiBr2 highlights a single-electron transfer process for the reaction involving the two-step one-electron oxidative addition of alkenyl bromide. The substrate benzothiazole plays a significant and diverse role in the reaction, and C-H bond cleavage is reversible in nature. Detailed kinetic analysis and control reactivity studies are indicative of a Ni(I)/Ni(III) pathway for the alkenylation comprising the rate-influencing reductive elimination step.

1 aPatel, Ulhas, N.1 aJagtap, Rahul, A.1 aPunji, Benudhar uhttps://library.ncl.res.in/content/scope-and-mechanistic-aspect-nickel-catalyzed-alkenylation-benzothiazoles-and-related-azoles02450nas a2200289 4500008004100000022001400041245012900055210006900184260000800253300001200261490000700273520149600280653001301776653002401789653002301813653001601836653001601852100001801868700002001886700002301906700001801929700002701947700001601974700002101990700002102011856012802032 2019 eng d a0959-665800aSemirational design and engineering of grapevine glucosyltransferases for enhanced activity and modified product selectivity0 aSemirational design and engineering of grapevine glucosyltransfe cNOV a765-7750 v293 a

Uridine diphosphate-dependent glycosyltransferases (UGTs) catalyze the transfer of a diversity of sugars to several acceptor molecules and often exhibit distinct substrate specificity. Modulation of glycosyltransferases for increased catalytic activity and altered substrate or product specificity are the key manipulations for the biotechnological use of glycosyltransferases in various biosynthetic processes. Here, we have engineered the binding pocket of three previously characterized Vitis vinifera glycosyltransferases, UGT88F12, UGT72B27 and UGT92G6, by structure-guided in silico mutagenesis to facilitate the interactions of active site residues with flavonol glucosides and thus modify substrate specificity and activity. Site-directed mutagenesis at selected sites, followed with liquid chromatography-mass spectrometry based activity assays, exhibited that mutant UGTs were altered in product selectivity and activity as compared to the wild-type enzymes. Mutant UGTs produced larger amounts of flavonol di-monosaccharide glucosides, which imply that the mutations led to structural changes that increased the volume of the binding pocket to accommodate a larger substrate and to release larger products at ease. Mutants showed increased activity and modified product specificity. Thus, structure-based systematic mutations of the amino acid residues in the binding pocket can be explored for the generation of engineered UGTs for diverse biotechnological applications.

10aflavonol10aGlycosyltransferase10ain silico analysis10aMutagenesis10aselectivity1 aJoshi, Rakesh1 aTrinkl, Johanna1 aHaugeneder, Annika1 aHaertl, Katja1 aFranz-Oberdorf, Katrin1 aGiri, Ashok1 aHoffmann, Thomas1 aSchwab, Wilfried uhttps://library.ncl.res.in/content/semirational-design-and-engineering-grapevine-glucosyltransferases-enhanced-activity-and02310nas a2200253 4500008004100000022001400041245013000055210006900185260000900254300001400263490000600277520143200283653001901715653001601734653001601750653002401766653001701790100002901807700001801836700001701854700002501871700003101896856012901927 2019 eng d a2365-654900aSize-controlled cobalt ferrite nanocrystals: magnetically separable reusable nanocatalysts for selective oxidation of styrene0 aSizecontrolled cobalt ferrite nanocrystals magnetically separabl cJUN  a6524-65310 v43 a

Superparamagnetic cobalt ferrite (CFO) nanocrystals (NCs) with sizes similar to 6 nm and similar to 4 nm were synthesized using a facile solvothermal method using fatty acids, lauric acid and stearic acid, as the capping agents. The synthesized nanocrystals were well characterized by XRD, FT-IR, XPS, SEM and TEM. The formation mechanism was explored and it was shown that the fatty acid was actually chemisorbed as a carboxylate onto the surface of CFO NCs. The experimental results specify that the size and size distribution of the CFO NCs were highly dependent on the length of fatty acid hydrophobic chain. Corresponding changes of the magnetic properties were investigated by measuring magnetization as a function of field and temperature, which suggest that the CFO NCs were superparamagnetic in nature. The catalytic properties for the oxidation of styrene in organic medium were examined by using the synthesized CFO NCs with sizes similar to 6 nm and similar to 4 nm. The synthesized CFO NCs, well dispersible in organic media, were demonstrated to be highly catalytically active, reached 100% conversion of styrene in 12 h with similar to 77% and similar to 82% selectivity for styrene oxide respectively. The magnetic CFO nanocatalysts were easily separated and recovered from the reaction medium by an external magnet, and reused for several cycles without losing catalytic selectivity for styrene oxide.

10aCobalt ferrite10aepoxidation10aFatty acids10amagnetic properties10ananocrystals1 aJeyavani, Vijayakrishnan1 aPawar, Sayali1 aDadwal, Arun1 aJoy, Pattayil, Alias1 aMukherjee, Shatabdi, Porel uhttps://library.ncl.res.in/content/size-controlled-cobalt-ferrite-nanocrystals-magnetically-separable-reusable-nanocatalysts01524nas a2200157 4500008004100000022001400041245009700055210006900152260000800221300001400229490000800243520094500251100001901196700002401215856012701239 2019 eng d a1520-610600aSlow motion protein dance visualized using red-edge excitation shift of a buried fluorophore0 aSlow motion protein dance visualized using rededge excitation sh cFEB a1256-12640 v1233 a

It has been extremely challenging to detect protein structures with a dynamic core, such as dry molten globules, that remain in equilibrium with the tightly packed native (N) state and that are important for a myriad of entropy-driven protein functions. Here, we detect the higher entropy conformations of a human serum protein, using red-edge excitation shift experiments. We covalently introduced a fluorophore inside the protein core and observed that in a subset of native population, the side chains of the polar and buried residues have different spatial arrangements than the mean population and that they solvate the fluorophore on a timescale much slower than the nanosecond timescale of fluorescence. Our results provide direct evidence for the dense fluidity of protein core and show that alternate side-chain packing arrangements exist in the core that might be important for multiple binding functions of this protein.

1 aMishra, Prajna1 aJha, Santosh, Kumar uhttps://library.ncl.res.in/content/slow-motion-protein-dance-visualized-using-red-edge-excitation-shift-buried-fluorophore02586nas a2200325 4500008004100000022001400041245011200055210006900167260000800236300001200244490000800256520159300264653002001857653001301877653001801890653000801908653000801916100001601924700002001940700001801960700002101978700002401999700001902023700001902042700001702061700002002078700001802098700002002116856012402136 2019 eng d a1862-630000aSolvothermal growth of PbBi2Se4 nano-flowers: a material for humidity sensor and photodetector applications0 aSolvothermal growth of PbBi2Se4 nanoflowers a material for humid cJUN a19000650 v2163 a

In the present work, lead bismuth selenide (PbBi2Se4) nano-flowers are synthesized by using a simple solvothermal method. Humidity sensor and photodetector based on PbBi2Se4 nano-flowers are fabricated on indium tin oxide (ITO) substrates and their sensing properties are investigated. Formation of PbBi2Se4 is confirmed by XRD, EDS, and XPS whereas formation of nano-flowers is confirmed by SEM and TEM analysis. XRD analysis reveals the hexagonal crystal structure of PbBi2Se4 phase with a = b = 4.22 angstrom, and c= 17.42 angstrom. The surface morphology of PbBi2Se4 clearly shows the formation of well-organized flower-like nanostructures which closely resembles the shape of Dahlia. The elemental mapping of chemical constituents obtained from SEM-EDS analysis shows uniform distribution of chemical constituents for the Pb, Bi, and Se in PbBi2Se4 nano-flowers. The PbBi2Se4 nano-flowers based humidity sensor has a typical response time of approximate to 65s and recovery time of approximate to 75 s. In case of PbBi2Se4 nano-flowers-based photodetector, the response and recovery time are observed approximate to 121 and approximate to 123 s, respectively, under visible light illumination with photoresponsivity (5 x 10(-6)), photosensitivity (2.16%), and quantum efficiency (1.5 x 10(4)). The obtained results demonstrate the potential applications of solvothermally grown PbBi2Se4 nano-flowers-based devices for humidity sensors and photodetectors. The ease of the present work is to develop novel material to obtain device quality humidity sensors and photodetectors.

10ahumidity sensor10aPbBi2Se410aphotodetector10aXPS10aXRD1 aAher, Rahul1 aBhorde, Ajinkya1 aNair, Shruthi1 aBorate, Haribhau1 aPandharkar, Subhash1 aNaik, Dhirsing1 aVairale, Priti1 aKarpe, Smita1 aLate, Dattatray1 aPrasad, Mohit1 aJadkar, Sandesh uhttps://library.ncl.res.in/content/solvothermal-growth-pbbi2se4-nano-flowers-material-humidity-sensor-and-photodetector02207nas a2200289 4500008004100000022001400041245010800055210006900163260000900232300001100241490000700252520125200259653001701511653002901528653001501557653003001572653002501602100001901627700003001646700001601676700002001692700001701712700001601729700001601745700002501761856013101786 2019 eng d a0957-448400aStealth emulsion based on natural rubber latex, core-shell ferrofluid/carbon black in the S and X bands0 aStealth emulsion based on natural rubber latex coreshell ferrofl cAUG  a3157030 v303 a

A lossy dielectric with an appropriate magnetic property is one of the requirements of a stealth material. The thickness of the absorber and the corresponding bandwidth of absorption are also other deciding factors that determine the choice of the material as microwave absorbers. A stable emulsion, which is lossy as well as magnetic, is promising, since it can be coated on surfaces with required thickness in the desired band. A magnetic nanofluidic emulsion serves the purpose. A microwave absorbing emulsion based on natural rubber latex with core-shell magnetic nanoparticles, based on superparamagnetic iron oxide nanoparticles (SPIONs), was developed. The effect of additives like carbon black on the bandwidth of absorption was also studied as a function of weight percentage of carbon black. The complex dielectric permittivity and magnetic permeability were evaluated using a vector network analyser in the S and X bands. Furthermore, these results were modelled using surface impedance equations. These investigations revealed that the incorporation of carbon black enhances the bandwidth of absorption and an emulsion with the required dielectric permittivity and magnetic permeability can be tailored for stealth applications.

10acarbon black10acore-shell nanoparticles10aferrofluid10amicrowave absorbing paint10anatural rubber latex1 aVinayasree, S.1 aNair, Ajalesh, Balachandr1 aMani, Manoj1 aArchana, V., N.1 aJoseph, Rani1 aMohanan, P.1 aJoy, P., A.1 aAnantharaman, M., R. uhttps://library.ncl.res.in/content/stealth-emulsion-based-natural-rubber-latex-core-shell-ferrofluidcarbon-black-s-and-x-bands02321nas a2200241 4500008004100000245009000041210006900131260000800200300001700208490000700225520145900232100003701691700002201728700003101750700002301781700002501804700002501829700002701854700002501881700003601906700002801942856010901970 2019 eng d00aStudies on the use of sodium polyacrylate (SPA) for low-salt animal skin preservation0 aStudies on the use of sodium polyacrylate SPA for lowsalt animal cSEP a 27100-271110 v263 a

Salt-based preservation is practiced for decades in the leather industry because of its versatility, cost-effectiveness, and availability. The salt removed from the soaking process causes significant pollution including organic and elevated total dissolved solids (TDS). Hence, a low-salt skin preservation method using commercial sodium polyacrylate with a reduced quantity of sodium chloride aiming to retain leather properties and pollution reduction was the principal focus of the study. Commercial sodium polyacrylate initially characterized for water absorption capacity along with structural and functional properties is confirmed by NMR and IR spectroscopic techniques. In preliminary experiments, the process parameters attained optimized conditions of sodium polyacrylate (SPA) quantity (5%), a minimal amount of salt (15%), and contact time (4 h) required for skin preservation. Besides, reusability studies after SPA recovery (95%) were applied to skins with an optimized quantity of SPA and salt subsequently stored for 15 days along with control (40% salt). The results revealed that SPA with low salt aided an adequate curing efficiency with a substantial reduction (> 65%) of TDS and comparable physical and organoleptic properties on par with the conventional method. Overall, SPA supported low-salt skin preservation reduces pollutant load (TDS) caused due to using of 40% sodium chloride in the conventional curing process.

1 aBalasubramanian, Venkatakrishnan1 aVelappan, Brindha1 aVijayan, Sandhya, Kurvilla1 aJabamani, Hepzibah1 aNagarajan, Vedaraman1 aVictor, John, Sundar1 aRanganath, Suresha, P.1 aBadiger, Manohar, V.1 aChinnaraj, Velappan, kandukalpa1 aChellappa, Muralidharan uhttps://library.ncl.res.in/content/studies-use-sodium-polyacrylate-spa-low-salt-animal-skin-preservation02400nas a2200229 4500008004100000022001400041245011100055210006900166260000800235300001200243490000700255520165800262100001601920700001501936700001601951700001401967700001401981700001701995700001502012700001302027856013002040 2019 eng d a0930-777X00aStudy of rheology and plug assist thermoforming of linear and branched pp homopolymer and impact copolymer0 aStudy of rheology and plug assist thermoforming of linear and br cJUL a339-3550 v343 a

Polypropylene (PP) is one of the fastest growing thermoplastic polymers in the world, second only to polyethylene. This is primarily due to its excellent balance of physical and chemical properties at a lower cost. PP however possesses low melt strength on account of its linear structure and hence is not easily amenable to processing techniques that involve free surface stretching deformations like thermoforming, blow molding and extrusion film casting. One way to enhance the melt strength of PP is to incorporate long chain branches in its molecular architecture. The present study focuses on the impact of rheology of linear and branched PP on their thermoforming characteristics. Two grades each of linear and long chain branched (LCB) PP homopolymer and impact copolymer (ICP) were used. It was observed that the LCB-PP homopolymer and LCB-ICP showed higher flow activation energy, reduced value of loss tangent and nearly equal frequency dependence of storage and loss moduli in shear rheology. Also, a strong strain hardening behavior was displayed in extensional rheology by the LCB grades. Plug assist thermoforming experiments were carried out to assess the effect of long chain branching on surface strain and thickness distribution for axisymmetric cups of two draw ratios. Biaxial surface strain maps of the formed cups were quantified using Grid Strain Analysis (GSA). Thermoformed cups made from LCB-PP homopolymer and LCB-impact copolymer showed lower surface strain and overall higher thickness as compared to cups made from their linear counterparts, which is in accordance with what might be expected from their rheology.

1 aMarathe, D.1 aShelar, S.1 aMahajan, S.1 aAhmad, Z.1 aGupta, S.1 aKulkarni, S.1 aJuvekar, V1 aLele, A. uhttps://library.ncl.res.in/content/study-rheology-and-plug-assist-thermoforming-linear-and-branched-pp-homopolymer-and-impact01705nas a2200277 4500008004100000022001400041245012400055210006900179260000900248300001100257490000800268520078900276653002101065653001501086653001101101653002001112653002401132653002701156100001901183700001901202700001601221700001601237700003001253700001801283856012601301 2019 eng d a0926-860X00aSurfactant free synthesis of Au@Ni core-shell nanochains in aqueous medium as efficient transfer hydrogenation catalyst0 aSurfactant free synthesis of AuNi coreshell nanochains in aqueou cAPR  a93-1000 v5753 a

A surfactant free aqueous phase synthesis method is reported for the generation of highly lattice mismatched Au@Ni core-shell nanochains without using any expensive and hazardous organic ligands. As synthesised Au@Ni nanochain structures showed high thermal stability and bulk oxidation resistance up to 300 degrees C. In situ near ambient pressure XPS (NAPXPS) analysis has been done for the bare Au@Ni nanochain surfaces under oxygen atmosphere and at different temperatures which showed evidence for the surface oxidation resistance of naked Au@Ni nanochains up to 200 degrees C. Ligand or capping agent free Au@Ni nanochain surfaces are found to be highly active for transfer hydrogenation of acetophenone to 1-phenyl ethanol an important commodity in perfumery industry.

10aAu@Ni nanochains10acore-shell10aNAPXPS10aSurfactant free10asynergistic effects10atransfer hydrogenation1 aVysakh, A., B.1 aShebin, K., J.1 aJain, Ruchi1 aSumanta, P.1 aGopinath, Chinnakonda, S.1 aVinod, C., P. uhttps://library.ncl.res.in/content/surfactant-free-synthesis-auni-core-shell-nanochains-aqueous-medium-efficient-transfer02239nas a2200265 4500008004100000022001400041245018100055210006900236260000800305300001200313490000900325520124500334653003701579653003101616653002601647653001801673653002801691100002201719700001801741700001901759700002201778700001901800700002401819856013001843 2019 eng d a0022-286000aSynthesis, characterization, Hirshfeld surface, cytotoxicity, DNA damage and cell cycle arrest studies of N, N-diphenyl-N `-(biphenyl-4-carbonyl/4-chlorobenzoyl) thiocarbamides0 aSynthesis characterization Hirshfeld surface cytotoxicity DNA da cJUN a333-3440 v11863 a

The condensation reaction of biphenyl-4-carbonyl isothiocyanate/4-chlorobenzoyl isothiocyanate with diphenylamine yielded two new compounds; N-diphenyl-N'-(biphenyl-4-carbonyl) thiocarbamide (1) and N, N-diphenyl-N'-(4-chlorobenzoyl) thiocarbamide (2). Structure of the compounds were determined by analytical, spectroscopic (UV-Visible, FT-IR, H-1, & C-13 NMR), powder and single-crystal X-ray diffraction methods. Hirshfeld surface analysis and their associated two dimensional fingerprint plots of compounds were used as theoretical approach to assess driving force for crystal structure formation via the intermolecular interactions in their crystal lattices. The compounds were screened for their in vitro cytotoxicity activity against a panel of five human cancer cell lines namely; cervical (2008 and C13*) and ovarian carcinoma (A2780, A2780/CP and IGROV-1). Both the compounds exhibited promising activity against cervical and IGROV-1 cancer cells whereas for the other two cell lines appreciable activities were observed. The cell cycle arrest at G(0)/G(1) phase is supported by the DNA damage and apoptosis studies of the compounds against 2008, C13* and IGROV-1 cell lines. (C) 2019 Elsevier B.V. All rights reserved.

10aDNA damage and cell cycle arrest10aHirshfeld surface analysis10aIn vitro cytotoxicity10aThiocarbamide10aX-ray crystal structure1 aPandey, Sunil, K.1 aPratap, Seema1 aRai, Sunil, K.1 aMarverti, Gaetano1 aKaur, Manpreet1 aJasinski, Jerry, P. uhttps://library.ncl.res.in/content/synthesis-characterization-hirshfeld-surface-cytotoxicity-dna-damage-and-cell-cycle-arrest02608nas a2200313 4500008004100000022001400041245010700055210006900162260000800231300001000239490000700249520155900256653002801815653002501843653001101868653002101879653001301900653001801913100001601931700002901947700002501976700002602001700002502027700002402052700002202076700003702098700002002135856013902155 2019 eng d a0971-589400aTerpene profiling, transcriptome analysis and characterization of cis–terpineol synthase from Ocimum0 aTerpene profiling transcriptome analysis and characterization of cJAN a47-570 v253 a

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

10aAgro-infiltration assay10aMetabolite profiling10aOcimum10aTerpene synthase10aTerpenes10aTranscriptome1 aAnand, Atul1 aJayaramaiah, Ramesha, H.1 aBeedkar, Supriya, D.1 aDholakia, Bhushan, B.1 aLavhale, Santosh, G.1 aPunekar, Sachin, A.1 aGade, Wasudeo, N.1 aThulasiram, Hirekodathakallu, V.1 aGiri, Ashok, P. uhttps://library.ncl.res.in/content/terpene-profiling-transcriptome-analysis-and-characterization-cis%E2%80%93terpineol-synthase-ocimum02240nas a2200205 4500008004100000022001400041245013500055210006900190260000900259300001400268490000600282520151300288653001401801653001701815653001201832653001501844100002001859700002501879856013001904 2019 eng d a2365-654900aTransition-metal-free glucose-derived carbonaceous catalyst catalyzes direct C-H arylation of unactivated arenes with aryl halides0 aTransitionmetalfree glucosederived carbonaceous catalyst catalyz cMAY  a4848-48530 v43 a

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

10aArylation10acarbonaceous10aglucose10ametal-free1 aJori, Popat, K.1 aJadhav, Vrushali, H. uhttps://library.ncl.res.in/content/transition-metal-free-glucose-derived-carbonaceous-catalyst-catalyzes-direct-c-h-arylation02182nas a2200169 4500008004100000022001400041245013200055210006900187260000900256300001600265490000700281520155000288100001701838700002501855700001601880856011601896 2019 eng d a1463-907600aWater-assisted stability of carbene: cyclic voltammetric investigation of 1-ethyl-3-methylimidazolium ethylsulfate ionic liquid0 aWaterassisted stability of carbene cyclic voltammetric investiga cNOV  a24126-241310 v213 a

In this work, we report electrochemical studies on imidazolium-based ionic liquids with an objective to explore the possibility of carbene formation in their dilute aqueous solutions. Conventionally, water plays a detrimental role during investigations involving ionic liquids, and this role has been investigated via electrochemical studies in aqueous ionic liquid solutions. There are varying opinions regarding the influence of water on the physicochemical behaviour of ionic liquids that require an in-depth understanding. To eludicate the role of water, we attempted to evaluate the electrochemical performance of ionic liquids in water as a solvent, and the influence of water on ionic liquids was explored through feasibility and stability studies on carbene formed in an aqueous imidazolium-based ionic liquid solution. The electrochemical investigation of an aqueous solution of 1-ethyl-3-methylimidazolium ethylsulfate ([EMIM][EtSO4]) revealed a redox couple. Detailed investigations suggest that reduction of the imidazolium cation occurs at the C2 position, with subsequent formation of carbene. Furthermore, an anodic peak was found to be associated with the oxidation of carbene. The coulometric process associated with the anodic peaks indicated that the two-electron oxidation of carbene occurred. The stability of carbene in water was evaluated through the use of different protic and aprotic solvents. The hydrogen bond-forming ability of carbene with water seems to be responsible for its improved stability in water.

1 aJain, Preeti1 aChaudhari, Vijay, R.1 aKumar, Anil uhttps://library.ncl.res.in/content/water-assisted-stability-carbene-cyclic-voltammetric-investigation-1-ethyl-301844nas a2200241 4500008004100000022001400041245010700055210006900162260000800231300001000239490000800249520099800257653002201255653002801277653002901305653001801334653002801352100002301380700002301403700002901426700002301455856012401478 2019 eng d a0021-951700aWater-promoted surface basicity in FeO(OH) for the synthesis of pseudoionones (PS) and their analogues0 aWaterpromoted surface basicity in FeOOH for the synthesis of pse cOCT a80-890 v3783 a

Use of Iron oxyhydroxide (gamma-FeO(OH)) as a robust catalyst for the synthesis of important intermediates like pseudoionones and their analogues through the C-C bond formation reactions like knoevenagel and aldol condensation is explored. These motifs are the building blocks for the construction of the sesquiterpenes as well as the diterpenes such as retinoic acid, Vitamin A etc. Iron oxyhydroxide (gamma-FeO(OH)) was synthesized and well characterized using XRD, FT-IR, TEM, XPS and adsorption studies to establish the catalytic activity. A thorough investigation on the nature of basic sites and the role of water as a promoter was explored based on dye adsorption, in situ methanol dissociation and CO2 adsorption studies. The catalyst also showed a wide range of substrate scope with active methylene groups involving various functional groups such as cyanides, esters and acetophenones along with its stability and reproducibility. (C) 2019 Elsevier Inc. All rights reserved.

10aBronsted basicity10aIron (III) oxyhydroxide10aKnoevenagel condensation10aPseudoionones10aSurface hydroxyl groups1 aVernekar, Dnyanesh1 aSakate, Sachin, S.1 aRode, Chandrashekhar, V.1 aJagadeesan, Dinesh uhttps://library.ncl.res.in/content/water-promoted-surface-basicity-feooh-synthesis-pseudoionones-ps-and-their-analogues02302nas a2200241 4500008004100000022001400041245011100055210006900166260000800235520145800243653002301701653002101724653001301745653002201758653001901780100001701799700002301816700002101839700002301860700002401883700002101907856013201928 2019 eng d a0721-759500aWhole proteome analysis of GA(3) response at panicle stage in Grape (Vitis vinifera) CV. Thompson seedless0 aWhole proteome analysis of GA3 response at panicle stage in Grap cOCT3 a

Rachis elongation is a crucial process in producing good quality table grapes. In compact clustered grape variety like Thompson Seedless, treating the flower panicles with a mild dose of GA(3) results in loose clusters. We sprayed GA(3) on Thompson Seedless panicles immediately after emergence, and the samples were collected at 6 h and 24 h after application. Whole proteome analysis revealed significant differential expression of 530 proteins of the total 1288 expressed proteins at two time-points. GO term enrichment analysis revealed enrichment of GO terms related to translation, biosynthetic processes, and photosynthesis in GA(3)-treated samples. As the process of rachis elongation requires enhanced carbon metabolism and accumulation of sugars through the expansion of phloem area, we attribute this to the overexpression of several proteins involved in these processes. Significantly highly expressed proteins also belonged to biological processes like the generation of precursor metabolites, cellular protein metabolic processes, response to abiotic stimulus, and protein metabolic processes. This study might be the first of its kind in deciphering the contribution of a different group of proteins during rachis elongation as an early response to GA(3) application in seedless grapes. These results provide quality information on various physiological and biochemical changes occurring during early stages of rachis elongation.

10aBunch architecture10aGibberellic acid10aProteome10aRachis elongation10aVitis vinifera1 aMaske, Smita1 aUpadhyay, Anuradha1 aJogaiha, Satisha1 aPatil, Sucheta, S.1 aKadoo, Narendra, Y.1 aGupta, Vidya, S. uhttps://library.ncl.res.in/content/whole-proteome-analysis-ga3-response-panicle-stage-grape-vitis-vinifera-cv-thompson-seedless02239nas a2200241 4500008004100000022001400041245017700055210006900232260000800301300001100309490000800320520138100328653001501709653001701724653000801741653001601749653002001765100002101785700001901806700001901825700002101844856013201865 2020 eng d a0960-076000a6 alpha-Hydroxy-4[14], 10[15]-guainadien-8 beta, 12-olide induced cell cycle arrest via modulation of EMT and Wnt/beta-catenin pathway in HER-2 positive breast cancer cells0 a6 alphaHydroxy414 1015guainadien8 beta 12olide induced cell cycl cMAR a1055140 v1973 a

Cyathocline purpurea has potential biological activities and has been widely used in traditional Chinese and Ayurvedic medicine. The aim of the present study is to elucidate the anticancer effect of its 6 alpha-hydroxy-4[14], 10 [15]-guainadien-8 beta, 12-olide (SRCP1) against HER-2 positive subtype of breast carcinoma. Anticancer effect of SRCP1 was assessed by cell viability, senescence, apoptosis, cell cycle, DNA synthesis, and gene expression assays. The activity was further validated by the molecular docking study. SRCP1 inhibits human HER-2 positive breast cancer growth via inhibition of DNA synthesis in a dose-dependent manner. SRCP1 induces cell cycle arrest at G(2)/M phase, late apoptosis, and necrosis. Further, it induces senescence causing reduction in migration via down-regulation of EMT. A remarkable increase in the number of necrotic cells and Annexin-V staining revealed that exposure to SRCP1 triggers late apoptosis. Treatment with SRCP1 increased E-cadherin, p21, p53, ER-alpha expression and decreased beta-catenin, MMP-9, snaill, TNF-alpha expression. SRCP1 showed binding affinity towards an active site of the HER-2 receptor. Our results of molecular docking and biological assays demonstrated the potent anticancer activity of SRCP1 in MDA-MB-453 cells via multiple pathways including EMT, TNF-alpha, and Wnt/beta-catenin signaling.

10aAnticancer10abeta-Catenin10aEMT10aGuaianolide10aHER-2 inhibitor1 aJavir, Gitanjali1 aJoshi, Kalpana1 aKhedkar, Vijay1 aRojatkar, Supada uhttps://library.ncl.res.in/content/6-alpha-hydroxy-414-1015-guainadien-8-beta-12-olide-induced-cell-cycle-arrest-modulation-emt01452nas a2200169 4500008004100000245008600041210006900127260000800196300001200204490000700216520086000223100002001083700002501103700002601128700001801154856011001172 2020 eng d00aAdsorption of heavy metal on active carbon derived from coconut leaves agro-waste0 aAdsorption of heavy metal on active carbon derived from coconut  cJAN a553-5620 v143 a

In this paper activated carbon is prepared from coconut leaves by chemical activation during slow pyrolysis at 673 K in an inert atmosphere. Activated carbon is prepared in the stiochiometric ratio of 1:1 (CL1), 2:1 (CL2) and 3:1 (CL3). Optimized 3:1 ratio is preferable for further study. BET surface area of CL3 activated carbon was found 1060.57 m2/g. It is greater than those of CL1 and CL2. The batch sorption study experiments were conducted with respect to solute concentration of 2.5–122.8 mg/l and solution temperature of 313–343 K. The Langmuir, Freundlich and Temkin isotherm studies were conducted. The experimental data fitted very well for the pseudo-first order and pseudo-second-order. The results have established good potentiality for the CL3 activated carbon to be used as a sorbent for the removal of lead from wastewater.

1 aJadhav, Abhijit1 aMohanraj, Govindaraj1 aMayadevi, Suseeladevi1 aGokarn, Ashok uhttps://library.ncl.res.in/content/adsorption-heavy-metal-active-carbon-derived-coconut-leaves-agro-waste02352nas a2200205 4500008004100000022001400041245017900055210006900234260000900303300001400312490000600326520155500332100002401887700001801911700002301929700002301952700001801975700002101993856013202014 2020 eng d a2516-023000aAgro-waste extracted cellulose supported silver phosphate nanostructures as a green photocatalyst for improved photodegradation of RhB dye and industrial fertilizer effluents0 aAgrowaste extracted cellulose supported silver phosphate nanostr cJUL  a2870-28840 v23 a

The efficiency and reusability of photocatalysts are the dominant factors for their pragmatic use. The visible light induced semiconductor silver phosphate is a superior photocatalyst effective under visible light but its stability is still an undiscussed issue. To overcome this stability issue in this present manuscript, eco-friendly agro-waste extracted cellulose supported silver phosphate nanostructures have been designed for the first time through a simple chemical process. At first, silver phosphate nanostructures were synthesized by the co-precipitation method. Then, different weights of cellulose were added to the silver nitrate solution to form cellulose supported silver phosphate nanostructures. The photodegradation efficiency for each weight ratio was examined in which the photocatalyst Ag-8 nanostructures showed a high rate (0.024 min(-1)) for degradation of Rhodamine B (RhB) using a low intensity tungsten bulb. Real sample analysis has also been carried out using this photocatalyst for the degradation of industrial fertilizer effluents. The degradation rate of all the nanostructures was found to be high in comparison to pristine silver phosphate as well as the extracted bare cellulose. The photocatalytic activity is enhanced because of the participation of cellulose as a support which makes an interface for silver phosphate and assists it in delaying the charge recombination period under visible light. To understand the photochemical reaction of electrons and holes, scavenger studies were also performed.

1 aDwivedi, Pravin, K.1 aNair, Aathira1 aMehare, Rupali, S.1 aChaturvedi, Vikash1 aJoshi, Kavita1 aShelke, Manjusha uhttps://library.ncl.res.in/content/agro-waste-extracted-cellulose-supported-silver-phosphate-nanostructures-green-photocatalyst02413nas a2200289 4500008004100000022001400041245010300055210006900158260000800227300001100235490000800246520145800254653001401712653002701726653002401753653001501777653001101792100002401803700002301827700002901850700002501879700002201904700002301926700001901949700002801968856012701996 2020 eng d a0882-401000aAntimicrobial profiling of coral reef and sponge associated bacteria from southeast coast of India0 aAntimicrobial profiling of coral reef and sponge associated bact cAPR a1039720 v1413 a

Culturable bacteria associated with marine sponges and coral mucus (collected from Gulf of Mannar and Palk Bay) were screened for their prospective antimicrobial compounds against 9 bacterial pathogens (Bacillus megaterium, B. cereus, Salmonella typhimurium, Staphylococcus aureus, Proteus vulgaris, Klebsillla pneumoniae, Escherichia coli, Pseudomonas aeruginosa and Acinetobacter baumannii) and a fungal pathogen (Candida albicans). Of the 263 bacterial isolates obtained during this study, 52 isolates displayed antimicrobial activity against one or more pathogens. 16S rRNA gene sequencing revealed that these 52 strains affiliated to 14 genera from three phyla Proteobacteria, Firmicutes and Actinobacteria. Sponge associated bacterial strains F-04, 1-23, 1-33 and G-03 inhibited the growth of all the bacterial pathogens tested in this study and significantly the former 2 strains inhibited the growth of fungal pathogen also. Majority of the potential strains (88.4% out of 52 strains) inhibited the growth of Bacillus cereus. Interestingly, an actinomycete strain F-04 (isolated from sponge Orina sagittaria) inhibited the growth of methicillin resistant Staphylococcus aureus. In total, 10 volatile organic compounds were determined from the ethyl acetate and hexane extract of the strain F-04 using GC-MS. Overall, marine bacteria isolated during this study demonstrate the potential for the development of broad spectrum antibiotics.

10aAnti-MRSA10aAntimicrobial activity10aBacterial diversity10aCoral reef10aSponge1 aRajasabapathy, Raju1 aGhadi, Sanjeev, C.1 aManikandan, Balakrishnan1 aMohandass, Chellandi1 aSurendran, Akhila1 aDastager, Syed, G.1 aMeena, Ram, M.1 aJames, Rathinam, Arthur uhttps://library.ncl.res.in/content/antimicrobial-profiling-coral-reef-and-sponge-associated-bacteria-southeast-coast-india02820nas a2200349 4500008004100000022001400041245014900055210006900204260000800273300001100281490000700292520170300299653001102002653001802013653002302031653002402054653003002078100001802108700001902126700001802145700001802163700002002181700001402201700001602215700001902231700001902250700002002269700001602289700001902305700002102324856012502345 2020 eng d a2468-519400aBioinspired synthesis of multifunctional silver nanoparticles for enhanced antimicrobial and catalytic applications with tailored SPR properties0 aBioinspired synthesis of multifunctional silver nanoparticles fo cSEP a1002850 v173 a

In the developing nanotechnology world, numerous attempts have been made to prepare the nobel metallic nanoparticles (NPs), which can improve their applicability in diverse fields. In the present work, the biosynthesis of silver (Ag) NPs has been successfully achieved through the medicinal plant extract (PE) of G. resinifera and effectively used for the catalytic and antibacterial applications. The size dependant tuneable surface plasmon resonance (SPR) properties attained through altering precursor concentrations. The X-ray and selected area diffraction pattern for Ag NPs revealed the high crystalline nature of pure Ag NPs with dominant (111) phase. The high-resolution TEM images show the nonspherical shape of NPs shifting from spherical, hexagonal to triangular, with wide particle size distribution ranging from 13 to 44 nm. Accordingly, the dual-band SPR spectrum is situated in the UV-Vis spectra validating the non-spherical shape of Ag NPs. The functional group present on the Ag NPs surface was analysed by FT-IR confirms the capping and reducing ability of methanolic PE G. resinifera. Further, the mechanism of antimicrobial activity studied using electron microscope showed the morphological changes with destructed cell walls of E. coli NCIM 2931 and S. aureus NCIM 5021 cells, when they treated with Ag NPs. The Ag NPs were more effective against S. aureus and E. coli with MIC 128 mu g/ml as compared to P. aeruginosa NCIM 5029 with MIC 256 mu g/ml. Apart from this, the reduction of toxic organic pollutant 4-NP to 4-AP within 20 min reveals the excellent catalytic activity of Ag NPs with rate constant k = 15.69 s(-1). (C) 2020 Elsevier Ltd. All rights reserved.

10aAg NPs10aAntibacterial10aCatalytic activity10aGardenia resinifera10asurface plasmon resonance1 aParit, S., B.1 aKarade, V., C.1 aPatil, R., B.1 aPawar, V., N.1 aDhavale, R., P.1 aTawre, M.1 aPardesi, K.1 aJadhav, U., U.1 aDawkar, V., V.1 aTanpure, R., S.1 aKim, J., H.1 aJadhav, J., P.1 aChougale, A., D. uhttps://library.ncl.res.in/content/bioinspired-synthesis-multifunctional-silver-nanoparticles-enhanced-antimicrobial-and01617nas a2200193 4500008004100000022001400041245014700055210006900202260000800271300001200279490000700291520087500298100002101173700002301194700002901217700002601246700002301272856012801295 2020 eng d a0340-428500aBio-surfactant: a green and environmentally benign reaction medium for ligand-free Pd-catalyzed Mizoroki-Heck cross-coupling reaction in water0 aBiosurfactant a green and environmentally benign reaction medium cSEP a403-4110 v453 a

A simple and efficient protocol for the ligand-free Mizoroki-Heck coupling reaction of various aryl bromides with different olefins has been reported by using in situ generated PdNPs of size 5-10 nm in aqueous solution of bio-surfactant. The bio-surfactant used in this study is a saponin extract of the seeds of pericarps (pods) of theAcacia concinnaplant. The in situ generated PdNPs have been characterized by various techniques such as HRTEM, EDS and XPS. The influence of various parameters such as the nature and amount of bases, the nature of Pd precatalysts as well as the effect of temperature has been investigated on Mizoroki-Heck coupling reaction. The generated PdNPs significantly coupled the various aryl bromides with different olefins in aqueous extract of the seeds of pericarps (pods) of theAcacia concinnaplant at 100 degrees C. [GRAPHICS] .

1 aPatil, Seema, P.1 aJadhav, Sanjay, N.1 aRode, Chandrashekhar, V.1 aShejwal, Rajendra, V.1 aKumbhar, Arjun, S. uhttps://library.ncl.res.in/content/bio-surfactant-green-and-environmentally-benign-reaction-medium-ligand-free-pd-catalyzed01188nas a2200133 4500008004100000245005800041210005700099260000800156300001200164520074000176100002300916700002600939856008900965 2020 eng d00aChapter 9. continuous flow synthesis of nanomaterials0 aChapter 9 continuous flow synthesis of nanomaterials bRSC a316-3393 a

Continuous flow synthesis of nanoparticles is now a well-accepted and reliable synthesis approach that gives consistent product properties. This chapter aims to do a critical analysis of the recent work in some of the relevant areas and gives specific recommendations where flow synthesis of nanomaterials can be realized as a reliable manufacturing process. The chapter also highlights the typical engineering issues that one needs to consider while transforming a batch synthesis protocol into continuous mode and its scale-up.

1 aKulkarni, Amol, A.1 aJundale, Rajashri, B. uhttps://library.ncl.res.in/content/chapter-9-continuous-flow-synthesis-nanomaterials02661nas a2200241 4500008004100000022001400041245022700055210006900282260000900351520169200360653002002052653001002072653002202082653002602104653001902130653002602149100001802175700002602193700002902219700002402248700002002272856012702292 2020 eng d a0721-759500aCombinatorial approach through in vitro regeneration and phytochemical profiling of ceropegia media (huber) ans.: a potential way forward in the conservation of an endangered medicinal plant from the western ghats in India0 aCombinatorial approach through in vitro regeneration and phytoch cJUN 3 a

Ceropegia mediais an endemic and endangered plant as its propagation through seeds is unreliable due to low germination, slow growth and seedling decay under natural conditions. Also, tubers of this plant are edible serving as carbohydrate source with medicinal values leading to severe population decline in the natural habitat. To provide a sustainable solution, an efficient in vitro propagation protocol along with phytochemical profiling was developed forC. media. Callus cultures were induced from seedling and wild leaf tissues using the most effective Murashige and Skoog's (MS) medium with 2,4-dichlorophenoxyacetic acid (2,4-D; 2 mu M) and sucrose (3%). Somatic embryos were acquired on MS medium with 1 mu M 6-Benzylaminopurine (BAP) and 1 mu M 2,4-D. Conversion into plantlets was attained only from tissue culture-derived seedling leaf (TCDSL) explant. Further, in vitro tuberization was achieved from TCDSL callus with BAP and Naphthalene acetic acid (NAA). AgNO(3)as an elicitor had a positive effect on both fresh and dry weights of callus. Successful acclimatization (58%) was attained after two months resulting in normal phenotype in pots. Further, metabolite profiles of ten different tissues from wild and in vitro plants were compared. Total 82 compounds comprising alkaloids, fatty acids, fatty acid ester, steroids, terpenes and hydrocarbons were identified. Overall, results suggested enhanced production of selected metabolites with in vitro propagation and AgNO3, alleviating the problem of unavailability of planting materials. Thus, the current study might offer potential ways for the conservation of such RED enlisted species asC. media. [GRAHICS]

10aCeropegia media10aGC-MS10aMicrotuberization10aSecondary metabolites10aSilver nitrate10asomatic embryogenesis1 aPandey, Meena1 aDholakia, Bhushan, B.1 aJayaramaiah, Ramesha, H.1 aPunekar, Sachin, A.1 aGiri, Ashok, P. uhttps://library.ncl.res.in/content/combinatorial-approach-through-vitro-regeneration-and-phytochemical-profiling-ceropegia00441nas a2200133 4500008004100000245004700041210004700088260003100135300001200166490000700178100002300185700002000208856007900228 2020 eng d00aContinuous Flow Synthesis of Nanomaterials0 aContinuous Flow Synthesis of Nanomaterials bRoyal Society of Chemistry a316-3390 v621 aKulkarni, Amol, A.1 aJundale, R., B. uhttps://library.ncl.res.in/content/continuous-flow-synthesis-nanomaterials01694nas a2200205 4500008004100000245011000041210006900151260001000220300001400230490000700244520096500251100001901216700002001235700001601255700002601271700001701297700001901314700002601333856012901359 2020 eng d00aDegradation of metaldehyde in aqueous solution by nano-sized photocatalysts and granular activated carbon0 aDegradation of metaldehyde in aqueous solution by nanosized phot cJuly  a4505-45080 v203 a

Metaldehyde has been detected in drinking water system in relatively high concentration exceeding European water quality standard. In order to address this problem, the aim of this project was to treat metaldehyde aqueous solution by advanced oxidation processes (AOPs) and granular activated carbon (GAC) column. Ten novel materials were tested for degradation rates of metaldehyde under ultraviolet light irradiation (UVC). For treatment of 1 mg/L metaldehyde solution by AOPs, the highest degradation rate is 16.59% under UVC light with the aid of nitrogen doped titanium dioxide coated graphene (NTiO2/Gr). Furthermore, 0.5 mg/L is the optimal concentration for degradation of metaldehyde with N-TiO2/Gr under UVC light. Apart from that, the lifetime of GAC column could be elongated on condition that metaldehyde has been treated by AOPs previously. Hence, combination of AOPs and GAC column is promising in treating water containing metaldehyde.

1 aKim, Jong, Kyu1 aJiang, Tingting1 aLi, Zhoujun1 aMayadevi, Suseeladevi1 aBharat, Kale1 aJoo, Jin, Chul1 aCampos, Luiza, Cintra uhttps://library.ncl.res.in/content/degradation-metaldehyde-aqueous-solution-nano-sized-photocatalysts-and-granular-activated02932nas a2200313 4500008004100000022001400041245013200055210006900187260000800256520189100264653001602155653001302171653001102184653000902195653003302204653002302237653000902260653002102269100002202290700002502312700002302337700001902360700002602379700002702405700001702432700002002449700002502469856012402494 2020 eng d a0739-110200aDiscovery of potential multi-target-directed ligands by targeting host-specific SARS-CoV-2 structurally conserved main protease0 aDiscovery of potential multitargetdirected ligands by targeting  cMAY3 a

Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) infection has resulted in the current COVID-19 pandemic. Worldwide this disease has infected over 2.5 million individuals with a mortality rate ranging from 5 to 10%. There are several efforts going on in the drug discovery to control the SARS-CoV-2 viral infection. The main protease (M-Pro) plays a critical role in viral replication and maturation, thus can serve as the primary drug target. To understand the structural evolution of M-Pro, we have performed phylogenetic and Sequence Similarity Network analysis, that depicted divergence of Coronaviridae M-Pro in five clusters specific to viral hosts. This clustering was corroborated with the comparison of M-Pro structures. Furthermore, it has been observed that backbone and binding site conformations are conserved despite variation in some of the residues. These attributes can be exploited to repurpose available viral protease inhibitors against SARS-CoV-2 M-Pro. In agreement with this, we performed screening of similar to 7100 molecules including active ingredients present in the Ayurvedic anti-tussive medicines, anti-viral phytochemicals and synthetic anti-virals against SARS-CoV-2 M-Pro as the primary target. We identified several natural molecules like delta-viniferin, myricitrin, taiwanhomoflavone A, lactucopicrin 15-oxalate, nympholide A, afzelin, biorobin, hesperidin and phyllaemblicin B that strongly binds to SARS-CoV-2 M-Pro. Intrestingly, these molecules also showed strong binding with other potential targets of SARS-CoV-2 infection like viral receptor human angiotensin-converting enzyme 2 (hACE-2) and RNA dependent RNA polymerase (RdRp). We anticipate that our approach for identification of multi-target-directed ligand will provide new avenues for drug discovery against SARS-CoV-2 infection. Communicated by Ramaswamy H. Sarma

10aCoronavirus10aCOVID-1910ahACE-210aMPro10amulti-target-directed ligand10aprotease inhibitor10aRdRp10aSARS-CoV-2 virus1 aJoshi, Rakesh, S.1 aJagdale, Shounak, S.1 aBansode, Sneha, B.1 aShankar, Shiva1 aTellis, Meenakshi, B.1 aPandya, Vaibhav, Kumar1 aChugh, Anita1 aGiri, Ashok, P.1 aKulkarni, Mahesh, J. uhttps://library.ncl.res.in/content/discovery-potential-multi-target-directed-ligands-targeting-host-specific-sars-cov-202205nas a2200289 4500008004100000022001400041245008700055210006900142260000800211300001100219490000800230520126600238653001601504653001301520653003101533653001701564653003601581653003301617100002001650700002101670700002001691700002101711700001801732700001701750700003101767856011701798 2020 eng d a0927-775700aDual responsive cellulose microspheres with high solid-state fluorescence emission0 aDual responsive cellulose microspheres with high solidstate fluo cAPR a1245100 v5913 a

Materials that respond to multiple stimuli such as magnetic field and light are attractive for security and medical diagnostic applications. One of the major challenges in dual functional microspheres is that the presence of magnetic nanoparticles can quench fluorescence emission. Also, there is a probability of solid-state quenching due to the proximity of the fluorophore. We report here a facile approach to prepare cellulose microspheres with high solid-state fluorescence using 40 % tetrabutylammonium hydroxide (TBAH). The fluorescence quenching effect due to the presence of Fe3O4 nanoparticles and solid-state quenching due to aggregation of fluorophore was systematically investigated. Microspheres with the detectable magnetic response and fluorescence quantum yield as high as 0.57 (FMB 414) was obtained by optimizing the reaction conditions. Such a high quantum yield has not been reported before for dual stimuli-responsive fluorescent microspheres. The magnetic and fluorescent properties were found to be durable even after multiple washing cycles. These dual responsive cellulose microspheres can be added as security features to authenticate documents such as passports, degree certificates, currency notes, financial documents etc.

10aFluorescent10aMagnetic10aMicrocrystalline cellulose10amicrospheres10aStimuli responsive microspheres10aTetrabutylammonium hydroxide1 aYadav, Prashant1 aPrajitha, K., P.1 aDhaware, Vinita1 aSubramani, Mohan1 aJoy, Pattayil1 aAsha, S., K.1 aShanmuganathan, Kadhiravan uhttps://library.ncl.res.in/content/dual-responsive-cellulose-microspheres-high-solid-state-fluorescence-emission02471nas a2200205 4500008004100000022001400041245014900055210006900204260000800273300001400281490000800295520173100303100001802034700001302052700001402065700001802079700002302097700001702120856012802137 2020 eng d a1932-744700aDynamics in amine-functionalized mesoporous hybrid materials probed through deuterium magic angle spinning NMR and molecular dynamic simulations0 aDynamics in aminefunctionalized mesoporous hybrid materials prob cMAR a6154-61700 v1243 a

We present a deuterium magic angle spinning (MAS) NMR study on two widely used hybrid materials (3-glycidyloxy propyl)trimethoxysilane (3-GPTMS) and 3-(trimethoxysilyl)propyl methacrylate (3-MATMS) grafted on SBA-15. Methylene-deuterated diamine as a pendent group is anchored to GPTMS (O3Si-CH2-CH2-CH2-O-CH2-CH(OH)- CH2-NH-CD2-CD2-NH2) and MATMS (O3Si-CH2-CH2-CH2-O-C(N-CD2-CD2-NH2)-C(CH3)=-CH2) postgrafting. Proton and deuterium solid state NMR experiments under MAS were performed at two hydration levels and temperatures ranging from 253 to 315 K. Deuterium spectra were deconvoluted into three A Dr, components with different average quadrupolar parameters: a relatively rigid component arising from local or librational motion of C-H-2(2) corresponding to ``small angle'' jumps, an intermediate dynamic component, and a large amplitude dynamic component. Population ratios of rigid versus dynamic components show that diamine-MATMS is more rigid when compared with diamine-GPTMS at high hydration. The role of the length of the linkers, steric hindrance, grafting concentration, etc. in defining mobility is investigated. Finally, by correlating proton and deuterium MAS NMR spectral analysis, the role of a few water molecules in inducing dynamics of the linkers was investigated. Molecular dynamic (MD) simulations support the experimental analysis. MD simulations indicate different types of mobility arising from the same molecular binding configuration of diamine-MATMS. Dynamics induced by a few hydroxyls on the pore surface accessible to the linker, various molecular conformations, and stabilization of the linker through hydrogen bonding with the surface, derived from MD simulations, are discussed.

1 aVeena, V., S.1 aKavya, I1 aLazar, A.1 aVinod, C., P.1 aAjithkumar, T., G.1 aJayanthi, S. uhttps://library.ncl.res.in/content/dynamics-amine-functionalized-mesoporous-hybrid-materials-probed-through-deuterium-magic02315nas a2200157 4500008004100000022001400041245013700055210006900192260000800261300001200269490000700281520169200288100002201980700002402002856013102026 2020 eng d a0006-296000aEarly metastable assembly during the stress-induced formation of worm-like amyloid fibrils of nucleic acid binding domains of TDP-430 aEarly metastable assembly during the stressinduced formation of  cJAN a315-3280 v593 a

TDP-43 protein travels between the cytosol and the nucleus to perform its nucleic acid binding functions through its two tandem RNA recognition motif domains (TDP-43(tRRM)). When exposed to various environmental stresses, it forms abnormal aggregates in the cytosol of neurons, which are the hallmarks of amyotrophic lateral sclerosis and other TDP-43 proteinopathies. However, the nature of early structural changes upon stress sensing and the consequent steps during the course of aggregation are not well understood. In this study, we show that under low-pH conditions, mimicking starvation stress, TDP-43(tRRm) undergoes a conformational opening reaction linked to the protonation of buried ionizable residues and grows into a metastable oligomeric assembly (called the ``low-pH form'' or the ``L form''). In the L form, the protein molecules have disrupted tertiary structure, solvent-exposed hydrophobic patches, and mobile side chains but the native-like secondary structure remains intact. The L form structure is held by weak interactions and has a steep dependence on ionic strength. In the presence of as little as 15 mM KCl, it fully misfolds and further oligomerizes to form a beta-sheet rich ``beta form'' in at least two distinct steps. The beta form has an ordered, stable structure that resembles worm-like amyloid fibrils. The unstructured regions of the protein gain structure during L (sic) beta conversion. Our results suggest that TDP-43(tRRm) could function as a stress sensor and support a recent model in which stress sensing during neurodegeneration occurs by assembly of proteins into metastable assemblies that are precursors to the solid aggregates.

1 aPillai, Meenakshi1 aJha, Santosh, Kumar uhttps://library.ncl.res.in/content/early-metastable-assembly-during-stress-induced-formation-worm-amyloid-fibrils-nucleic-acid01926nas a2200157 4500008004100000022001400041245016900055210006900224260000900293300001400302490000800316520128400324100001801608700001701626856012501643 2020 eng d a1089-563900aEffect of solvent-substrate noncovalent interactions on the diastereoselectivity in the intramolecular carbonyl-ene and the staudinger [2+2] cycloaddition reactions0 aEffect of solventsubstrate noncovalent interactions on the diast cOCT  a8019-80280 v1243 a

Noncovalent interactions (NCIs) have been identified as important contributing factors for determining selectivity in organic transformations. However, cases where NCIs between solvents and substrates are responsible for a major extent for determining selectivity are rare. The current computational study with density functional theory identifies two important transformations where this is the case: the intramolecular carbonyl-ene reaction and the Staudinger [2 + 2] cycloaddition reaction. In both cases, the role of explicit solvent molecules interacting non-covalently with the substrate has been taken into account. Calculations indicate that the diastereomeric ratio would be 95.0:5.0 for the formation of tricyclic tetrahydrofuran diastereomers via the intramolecular carbonyl-ene reaction and 94.0:6.0 for the formation of the triflone diastereomers via the Staudinger [2 + 2] cycloaddition reaction, which corroborates with the experiment. Interestingly, in both the cases, the calculations indicate that noninclusion of explicit solvent molecules would lead to only a small difference between the competing transition states, which leads to the conclusion that solvent-substrate NCIs are the major cause for diastereoselectivity in both the cases considered.

1 aJain, Shailja1 aVanka, Kumar uhttps://library.ncl.res.in/content/effect-solvent-substrate-noncovalent-interactions-diastereoselectivity-intramolecular02050nas a2200253 4500008004100000022001400041245012500055210006900180260000800249300001100257490000800268520116800276653001601444653003201460653002201492653002901514100002301543700002401566700001701590700001901607700002301626700001601649856013101665 2020 eng d a0301-462200aEffect of tert-alcohol functional imidazolium salts on oligomerization and fibrillization of amyloid beta (1-42) peptide0 aEffect of tertalcohol functional imidazolium salts on oligomeriz cDEC a1064800 v2673 a

Imidazolium based IL's has gained vast interest in developing biological applications. Oligomerization and fibrillization of amyloid beta (1-42) peptide are mainly responsible for the extra-neuronal deposition of amyloid fibrils in neurodegenerative disorders like Alzheimer's disease (AD). Here, we report an effect of tert-BuOH-functional imidazolium ILs on oligomerization and fibrillization of amyloid beta (1-42) Peptide in vitro. In this study, a series of these [alkyl-(t)OHim][OMs] ILs with methyl sulphonate counter anion by varying alkyl chains were used. Among the seven protic ILs, four showed strong binding and inhibition activity for the formation of amyloid beta (1-42) aggregation by using Thioflavin T fluorescence binding assay. The secondary structural analysis of the peptide, pre-incubated with active ILs shows the loss of ordered beta-sheet amyloid structure. The longer alkyl chain ILs showed that an increased in amyloid binding and hence an inhibition effect on amyloid aggregation was enhanced. Thus, we propose that ILs could be presented as potential candidates for therapeutic intervention against Alzheimer's disease (AD).

10aAggregation10aAmyloid beta (1-42) peptide10aBiofilm inhibitor10aImidazolium ionic liquid1 aSaid, Madhukar, S.1 aNavale, Govinda, R.1 aYadav, Ashok1 aKhonde, Nilesh1 aShinde, Sandip, S.1 aJha, Anjali uhttps://library.ncl.res.in/content/effect-tert-alcohol-functional-imidazolium-salts-oligomerization-and-fibrillization-amyloid01269nas a2200277 4500008004100000022001400041245009900055210006900154260000800223300001400231490000700245520035000252653001600602653001500618653002300633653001600656653002100672653002400693100002900717700002100746700002200767700002700789700002600816700002900842856012000871 2020 eng d a0922-616800aEfficient method for the synthesis of quinoxaline derivatives catalyzed by titanium silicate-10 aEfficient method for the synthesis of quinoxaline derivatives ca cDEC a5219-52300 v463 a

A series of quinoxaline derivatives were efficiently synthesized by convenient and simple procedure in excellent yields using 1 wt.% of titanium silicate (TS-1) catalyzed reaction of 1,2-diamines and 1,2-diketones in methanol at room temperature. This reaction is scalable to multigram scale and the catalyst is recyclable. [GRAPHICS] .

10a2-Diketones10aAromatic 110ao-Phenylenediamine10aQuinoxaline10aRoom temperature10aTitanium silicate-11 aChandrachood, Pranav, S.1 aJadhav, Amol, R.1 aGarud, Dinesh, R.1 aDeshpande, Nirmala, R.1 aPuranik, Vedavati, G.1 aKashalkar, Rajashree, V. uhttps://library.ncl.res.in/content/efficient-method-synthesis-quinoxaline-derivatives-catalyzed-titanium-silicate-101656nas a2200205 4500008004100000022001400041245016300055210006900218260000800287300001400295490000800309520088300317653002401200653001801224653001901242653001301261100002001274700002501294856013101319 2020 eng d a1011-372X00aEfficient synthesis of gamma-valerolactone-a potential fuel from biomass derived levulinic acid using catalytic transfer hydrogenation over Hf@CCSO3H catalyst0 aEfficient synthesis of gammavalerolactonea potential fuel from b cJUL a2038-20440 v1503 a

A new hafnium based carbonaceous catalyst (Hf@CCSO3H) was prepared by simultaneous carbonization and sulfonation of readily available glucose, followed by incorporation of hafnium metal on the surface of catalyst. The catalyst was well characterized using FT-IR, PXRD, EDX, SEM, C-13 CPNMR, XPS and BET analysis. The catalytic activity of Hf@CCSO3H was evaluated for synthesis of gamma-valerolactone-a potential fuel and green solvent. gamma-valerolactone was synthesized from biomass derived levulinic acid by catalytic transfer hydrogenation using 150 wt% of catalyst at 200 celcius for 24 h in isopropanol solvent as a hydrogen donor. 100% conversion of levulinic acid was achieved with an excellent yield of 96% with more than 99% selectivity of gamma-valerolactone as evident from GC analysis. The method developed is simple, efficient and economical. [GRAPHICS] .

10agamma-Valerolactone10aHydrogenation10alevulinic acid10aTransfer1 aJori, Popat, K.1 aJadhav, Vrushali, H. uhttps://library.ncl.res.in/content/efficient-synthesis-gamma-valerolactone-potential-fuel-biomass-derived-levulinic-acid-using02408nas a2200265 4500008004100000022001400041245013100055210006900186260000900255300001400264490000600278520151800284653001401802653001801816653002601834653001201860653002101872100001801893700001701911700002001928700002101948700002101969700002101990856013102011 2020 eng d a2196-021600aElectrochemical evaluation of the stability and capacity of r-GO-wrapped copper antimony chalcogenide anode for Li-ion battery0 aElectrochemical evaluation of the stability and capacity of rGOw cAUG  a3291-33000 v73 a

Poor cycling stability and capacity fade are primary concerns for next-generation anode materials for Li-ion batteries. In non-carbonaceous anode materials, alloying with Li leads to volume increase that affects practical applications, and increase in particle size, amorphization and reduced conductivity can all lead to a loss of performance. In this work, binary antimony sulfide (Sb2S3) and ternary copper antimony sulfide (CuSbS2) are synthesized by a convenient solvothermal process. These materials are used to study the Li-active/inactive concept, by incorporating Cu into Sb(2)S(3)forming CuSbS(2)wherein Cu is Li inactive whereas Sb is Li active. By direct comparison, we have shown that incorporating Cu into binary antimony sulfide (Sb2S3) resulting into ternary copper antimony sulfide (CuSbS2) addresses the problem of poor conductivity and capacity loss, as Cu provides conductivity leading to enhanced charge transfer and prevents Sb particle aggregation while charge-discharge by exhibiting spectator or diluent ion effect. The better performance of CuSbS(2)is associated with the better Li(+)ion diffusion in the CuSbS2(D=8.97x10(-15) cm(2) s(-1)) compared to Sb2S3(D=2.76x10(-15) cm(2) s(-1)) and lower series resistance of CuSbS2(R=4.70x10(5) omega) compared to Sb2S3(R=5.81x10(8) omega). We have also investigated the composite with the addition of rGO. The CuSbS2-rGO delivered a reversible capacity of 672 mAh g(-1)after 1000 cycles at 200 mA g(-1)which has shown best performance.

10aBatteries10achalcogenides10aDiffusion coefficient10alithium10aTernary sulfides1 aYadav, Poonam1 aSharma, Neha1 aPatrike, Apurva1 aSabri, Ylias, M.1 aJones, Lathe, A.1 aShelke, Manjusha uhttps://library.ncl.res.in/content/electrochemical-evaluation-stability-and-capacity-r-go-wrapped-copper-antimony-chalcogenide01985nas a2200301 4500008004100000022001400041245012400055210006900179260000800248300001000256490000800266520101800274653002201292653002101314653001901335653001701354653002101371653002601392100002301418700001601441700001501457700002401472700002201496700000501518700001401523700001501537856013101552 2020 eng d a1876-107000aElectrochemical performance of pre-lithiated ZnMoO4 and r-GO@ZnMoO4 composite anode for lithium-ion battery application0 aElectrochemical performance of prelithiated ZnMoO4 and rGOZnMoO4 cJUL a60-660 v1123 a

Exploring a safer replacement of Li metal anode is crucial for technological, and fundamental importance. Li-metal is a preferred choice as anode material for lithium-ion battery (LIB) applications. However, parasitic dendritic growth on the Li metal surface during cycling causes instability and safety dreads. In the present study, we have investigated that the pre-lithiated ZnMoO4 is superior to its carbon-based counterparts (r-GO@ZnMoO4), moreover safer and sustainable than Li metal anode. The pre-lithiated ZnMoO4 delivers a better reversible capacity (similar to 1000 mAhg(-1) at 0.1 Ag-1), superior rate capability (similar to 400 mAh g(-1) at 2 Ag-1), and excellent cycling stability over 300 cycles at 0.1 Ag-1, as compared to bare ZnMoO4 and r-GO@ZnMoO4 composite. The present investigation is an attempt to provide a substitute for commonly used Li-metal/carbon anodes with better performance. (C) 2020 Taiwan Institute of Chemical Engineers. Published by Elsevier B.V. All rights reserved.

10aCycling stability10aElectrochemistry10aLi-ion battery10aNyquist plot10aRate performance10aZnMoO4 nanocomposites1 aBin Masood, Khalid1 aParte, Golu1 aJain, Neha1 aDwivedi, Pravin, K.1 aKumar, Pushpendra1 a1 aPatel, Rp1 aSingh, Jai uhttps://library.ncl.res.in/content/electrochemical-performance-pre-lithiated-znmoo4-and-r-goznmoo4-composite-anode-lithium-ion02042nas a2200217 4500008004100000022001400041245012900055210006900184260000900253300001400262490000700276520126400283653002601547653002501573653002801598653001401626653000801640100001601648700003001664856013001694 2020 eng d a1867-388000aElectronic structure evolution of Pd@Co nanocatalysts under oxidation and reduction conditions and preferential CO oxidation0 aElectronic structure evolution of PdCo nanocatalysts under oxida cAUG  a4176-41840 v123 a

Herein, we present the surface electronic structure and morphological evolution under reduction and oxidation conditions for Pd@Co (PC) core-shell nanoparticles with different Pd : Co ratio (PC=2 : 1, 1 : 1 and 1 : 2). Extensive measurements have been made with NAPXPS (near ambient pressure x-ray photoelectron spectroscopy) under oxidising and reducing conditions, and ex-situ HRTEM. It has been demonstrated that PC catalysts are thermally stable towards morphological changes, at least up to 575 K. Nonetheless, it shows a significant surface electronic structure changes under reaction environments, which are highly relevant to heterogeneous catalysis. As expected, high (low) population of metallic (oxidised) Co was observed, while retaining core shell structure under reduction (H(2)and vacuum annealing) environment. Interestingly, the Pd-Co metallic interface helps to overcome the pyrophoric nature of cobalt and stabilised a significant amount of metallic Co at Pd-Co interface even in the presence of 0.1 mbar O(2)up to 575 K. The presence of Pd-Co and Pd-Co@Co(3)O(4)interfaces in reaction environment makes the catalyst dual functional. The proof of concept has been explored in terms of oxidation of CO in the presence of H(2)or O-2.

10aCore-Shell morphology10aElectronic Structure10aheterogeneous catalysis10ainterface10aXPS1 aJain, Ruchi1 aGopinath, Chinnakonda, S. uhttps://library.ncl.res.in/content/electronic-structure-evolution-pdco-nanocatalysts-under-oxidation-and-reduction-conditions03393nas a2200397 4500008004100000245009600041210006900137260000800206300000800214490000700222520206400229653002002293653003202313653002902345653002002374653002002394100003102414700002302445700002402468700001902492700002302511700003102534700003702565700002502602700002702627700002302654700003202677700002002709700002502729700001802754700002602772700002002798700002102818700003402839856012202873 2020 eng d00aElectrospun fibers and sorbents as a possible basis for effective composite wound dressings0 aElectrospun fibers and sorbents as a possible basis for effectiv cAPR a4410 v113 a

Skin burns and ulcers are considered hard-to-heal wounds due to their high infection risk. For this reason, designing new options for wound dressings is a growing need. The objective of this work is to investigate the properties of poly (epsilon-caprolactone)/poly (vinyl-pyrrolidone) (PCL/PVP) microfibers produced via electrospinning along with sorbents loaded with Argovit (TM) silver nanoparticles (Ag-Si/Al2O3) as constituent components for composite wound dressings. The physicochemical properties of the fibers and sorbents were characterized using scanning electron microscopy (SEM), differential scanning calorimetry (DSC), Fourier transform infrared spectroscopy (FTIR) and inductively coupled plasma optical emission spectroscopy (ICP-OES). The mechanical properties of the fibers were also evaluated. The results of this work showed that the tested fibrous scaffolds have melting temperatures suitable for wound dressings design (58-60 degrees C). In addition, they demonstrated to be stable even after seven days in physiological solution, showing no macroscopic damage due to PVP release at the microscopic scale. Pelletized sorbents with the higher particle size demonstrated to have the best water uptake capabilities. Both, fibers and sorbents showed antimicrobial activity against Gram-negative bacteria Pseudomona aeruginosa and Escherichia coli, Gram-positive Staphylococcus aureus and the fungus Candida albicans. The best physicochemical properties were obtained with a scaffold produced with a PCL/PVP ratio of 85:15, this polymeric scaffold demonstrated the most antimicrobial activity without affecting the cell viability of human fibroblast. Pelletized Ag/Si-Al2O3-3 sorbent possessed the best water uptake capability and the higher antimicrobial activity, over time between all the sorbents tested. The combination of PCL/PVP 85:15 microfibers with the chosen Ag/Si-Al2O3-3 sorbent will be used in the following work for creation of wound dressings possessing exudate retention, biocompatibility and antimicrobial activity.

10aelectrospinning10apoly (epsilon-caprolactone)10apoly (vinyl pyrrolidone)10asilver sorbents10awound dressings1 aAlvarez-Suarez, Alan, Saul1 aDastager, Syed, G.1 aBogdanchikova, Nina1 aGrande, Daniel1 aPestryakov, Alexey1 aGarcia-Ramos, Juan, Carlos1 aPerez-Gonzalez, Graciela, Lizeth1 aJuarez-Moreno, Karla1 aToledano-Magana, Yanis1 aSmolentseva, Elena1 aPaz-Gonzalez, Juan, Antonio1 aPopova, Tatiana1 aRachkovskaya, Lyubov1 aNimaev, Vadim1 aKotlyarova, Anastasia1 aKorolev, Maksim1 aLetyagin, Andrey1 aVillarreal-Gomez, Luis, Jesus uhttps://library.ncl.res.in/content/electrospun-fibers-and-sorbents-possible-basis-effective-composite-wound-dressings01612nas a2200193 4500008004100000022001400041245015700055210006900212260000800281300001400289490000700303520086700310100001801177700001701195700002801212700002101240700002501261856013201286 2020 eng d a0887-062400aElectrospun nanofibers of Tin phosphide (SnP0.94) nanoparticles encapsulated in a carbon matrix: a tunable conversion-cum-alloying lithium storage anode0 aElectrospun nanofibers of Tin phosphide SnP094 nanoparticles enc cJUN a7648-76570 v343 a

Anodes with improved Li storage capability are required for next-generation lithium batteries. In this work we report a convenient synthesis strategy, based on electrospinning followed by reduction and phosphorization, to prepare a tin phosphide (SnP0.94) phase in a carbon nanofiber matrix. The layered structure offered by the SnP0.94 phase, along with its small size (5-20 nm) encapsulated in the conducting carbon matrix, leads to promising electrochemical Li storage characteristics. This composite has a capacity of 750 mAh g(-1) at 100 mA g(-1) with good cycling and rate stability. Electrochemical studies revealed a faster diffusion coefficient (1.86 x 10(-11) cm(2) s(-1)) for Li in the composite compared to the bare SnP0.94 (8.57 x 10(-14) cm(2) s(-1)), confirming the promise of this class of materials for cation storage in battery anodes.

1 aYadav, Poonam1 aMalik, Wahid1 aDwivedi, Pravin, Kumari1 aJones, Lathe, A.1 aShelke, Manjusha, V. uhttps://library.ncl.res.in/content/electrospun-nanofibers-tin-phosphide-snp094-nanoparticles-encapsulated-carbon-matrix-tunable16135nas a2200313 45000080041000000220014000412450111000552100069001662600009002353000011002444900008002555201507500263653003115338653005615369653002515425653001915450100001915469700002315488700001915511700001715530700001815547700002215565700001815587700002315605700001815628700002315646700002015669856013215689 2020 eng d a0925-838800aElucidating the effect of CaF 2 on structure, biocompatibility and antibacterial properties of S53P4 glass0 aElucidating the effect of CaF 2 on structure biocompatibility an cAUG  a1547040 v8313 a

The present work focuses on the synthesis and structural elucidation of fluoride containing bioactive glasses in the system (in mol%) given by (53.86) SiO2 – (22.65) Na2O – (21.77-x) CaO – (1.72) P2O5 – x CaF2, where, x = 0, 5.44, 10.885 and 16.33. The role of the incorporated fluoride and its distribution within the glass were interpreted and analyzed using Molecular dynamics (MD) simulations and the results were compared with the modified random network (MRN) model. The interpretations from the model have been verified using the MAS-NMR spectroscopy technique. According to this model, fluoride containing bioactive glasses have been proposed to consist of silicate rich network regions and modifier cation – fluoride rich inter-network regions. The interface region was found to consist of non-bridging oxygen species (NBO) and phosphate cations which are either isolated orthophosphates (Q0P) or bridged with silicates in the form of pyrophosphate (Q1P) units forming Si–O–P bonds. The gradual substitution of CaF2 for CaO in the base glass resulted in an increase in the silicate network connectivity with a reduction in the NBOs and lead to an increase in the association of modifier cations with fluoride ions. However, fluoride ions were found to show a marginal preference to associate with Na+ cations leading to a decrease in the association of Na+ ions with orthophosphate and silicate units. These overall structural findings were correlated with the in vitro ion dissolution behaviour of the bioactive glasses as well as with the thermal properties. The glasses were tested for their in vitro cell viability towards mouse osteoblast type (MC3T3) cells in which fluoride containing bioactive glasses did not show any toxicity and exhibited better cell proliferation. The antibacterial efficacy of the fluoride containing glasses was tested at various concentrations (5, 10 and 20 mg/ml) in E.coli bacterial inoculum in which bactericidal action was evidenced.

10aFluoride bioactive glasses10aIn vitro apatite formation and bactericidal action10aMAS-NMR spectroscopy10aMD simulations1 aPrasad, Sakthi1 aGanisetti, Sudheer1 aJana, Anuradha1 aKant, Shashi1 aSinha, P., K.1 aTripathy, Sucheta1 aIllath, Kavya1 aAjithkumar, T., G.1 aAnnapurna, K.1 aAllu, Amarnath, R.1 aBiswas, Kaushik uhttps://library.ncl.res.in/content/elucidating-effect-caf-2-structure-biocompatibility-and-antibacterial-properties-s53p4-glass01338nas a2200241 4500008004100000022001400041245014300055210006900198260000800267300001100275490000700286520050900293653003700802653002000839653001400859653001000873100002100883700000500904700001600909700002400925700002200949856012500971 2020 eng d a0040-403900aEnolate-mediated regioselective synthesis of 1,2,3-triazoles via azide-aldehydes or ketones [3+2]-cycloaddition reactions in aqueous phase0 aEnolatemediated regioselective synthesis of 123triazoles via azi cMAR a1516620 v613 a

A synthetic route for the direct conversion of arylazides into the corresponding trizoles via phase transfer catalyst-assisted [3+2] cycloaddition reaction under basic conditions in aqueous medium is reported. This synthetic methodology, which offers high yields and excellent regioselectivity for varieties of triazoles at 100 degrees C for 24 h-48 h and this `greener' synthesis constitutes an alternative to the previously reported well established click reactions. Published by Elsevier Ltd.

10aAzides plus aldehydes or ketones10aClick chemistry10atriazoles10aWater1 aTripathi, Anupam1 a1 aLlop, Jordi1 aChavan, Subhash, P.1 aJoshi, Sameer, M. uhttps://library.ncl.res.in/content/enolate-mediated-regioselective-synthesis-123-triazoles-azide-aldehydes-or-ketones-3201137nas a2200289 4500008004100000022001400041245015900055210006900214260000800283300001000291490000700301520011300308100002200421700002700443700003300470700002300503700001700526700001800543700002300561700001900584700002700603700002100630700002300651700002700674700002100701856012500722 2020 eng d a2045-232200aEvaluation of uttroside B, a saponin from Solanum nigrum Linn, as a promising chemotherapeutic agent against hepatocellular carcinoma (vol 6, 36318, 2016)0 aEvaluation of uttroside B a saponin from Solanum nigrum Linn as  cNOV a204310 v103 a

An amendment to this paper has been published and can be accessed via a link at the top of the paper.

1 aNath, Lekshmi, R.1 aGorantla, Jaggaiah, N.1 aThulasidasan, Arun, Kumar T.1 aVijayakurup, Vinod1 aShah, Shabna1 aAnwer, Shabna1 aJoseph, Sophia, M.1 aAntony, Jayesh1 aVeena, Kollery, Suresh1 aSundaram, Sankar1 aMarelli, Udaya, K.1 aLankalapalli, Ravi, S.1 aAnto, Ruby, John uhttps://library.ncl.res.in/content/evaluation-uttroside-b-saponin-solanum-nigrum-linn-promising-chemotherapeutic-agent-000752nas a2200217 4500008004100000022001400041245011000055210006900165260000900234300000900243490000700252653001400259653001900273653001700292653002600309653001100335100002200346700001800368700002000386856012800406 2020 eng d a1864-563100aExpeditious and solvent-free nickel-catalyzed c-h arylation of arenes and indoles (vol 10, pg 2242, 2017)0 aExpeditious and solventfree nickelcatalyzed ch arylation of aren cNOV  a57710 v1310aArylation10aC-H activation10aheterocycles10aHomogeneous catalysis10aNickel1 aJagtap, Rahul, A.1 aSoni, Vineeta1 aPunji, Benudhar uhttps://library.ncl.res.in/content/expeditious-and-solvent-free-nickel-catalyzed-c-h-arylation-arenes-and-indoles-vol-10-pg01844nas a2200241 4500008004100000022001400041245017000055210006900225260000800294300001100302490000800313520098400321653002201305653001801327653001301345653002201358653001901380653000801399100002101407700002101428700002101449856013201470 2020 eng d a0021-961400aExperimental analysis of vapour-liquid phase equilibria for binary systems of diethyl carbonate with methyl, ethyl, isopropyl, n-butyl and isoamyl acetates at 95 kPa0 aExperimental analysis of vapourliquid phase equilibria for binar cNOV a1061890 v1503 a

Experimental analysis of vapour-liquid phase equilibrium (VLE) for five binary pairs of diethyl carbonate (DEC) with methyl acetate, ethyl acetate, isopropyl acetate, n-butyl acetate and isoamyl acetate was carried out in this study. VLE data were generated experimentally at local atmospheric pressure of 95 kPa in a glass dynamic recirculation still. Reliability of data was checked with the thermodynamic consistency tests by Van Ness, infinite dilution, pure component and mean absolute deviation test. Experimental data was found to be thermodynamically consistent with all tests and data was regressed with Wilson, NRTL and UNIQUAC activity coefficient models to determine binary interaction parameters. Binary pair of DEC with n-butyl acetate has shown azeotropic behaviour with minimum boiling azeotrope and a close boiling behaviour through-out the composition range. No azeotropic behaviour was observed for the rest of the binary pairs. (c) 2020 Elsevier Ltd.

10aDiethyl carbonate10aethyl acetate10aIsobaric10aIsopropyl acetate10amethyl acetate10aVLE1 aBhoi, Bharat, R.1 aMali, Nilesh, A.1 aJoshi, Sunil, S. uhttps://library.ncl.res.in/content/experimental-analysis-vapour-liquid-phase-equilibria-binary-systems-diethyl-carbonate-methyl02245nas a2200205 4500008004100000022001400041245022100055210006900276260000900345300001400354490000600368520142800374100002401802700001801826700002301844700002301867700001801890700000501908856012601913 2020 eng d a2516-023000aExperimental and theoretical investigations of the effect of heteroatom-doped carbon microsphere supports on the stability and storage capacity of nano-Co3O4 conversion anodes for application in lithium-ion batteries0 aExperimental and theoretical investigations of the effect of het cJUL  a2914-29240 v23 a

Conversion-type anode materials have been intensely studied for application in Li-ion batteries (LIBs) due to their potentially higher capacities than current graphite-based anodes. This work reports the development of a high-capacity and stable anode from a nanocomposite of N and S co-doped carbon spheres (NSCSs) with Co3O4 (NSCS-Co3O4). A hydrothermal reaction of saccharose withl-cysteine was carried out, followed by its carbonization. CSs when used as supports for conversion-type materials provide efficient electron/ion transfer channels, enhancing the overall electrochemical performance of the electrodes. Additionally, the heteroatoms doped in a carbon matrix alter the electronic properties, often increasing the reactivity of the carbon surface, and they are reported to be effective for anchoring metal oxide nanoparticles. Consequently, the NSCS-Co3O4 nanocomposites developed in this work exhibit enhanced and stable reversible specific capacity over several cycles. Stable cycling behavior was observed at 1 A g(-1)with 1285 mA h g(-1) of specific capacity retained after 350 cycles along with more than 99% of coulombic efficiency. This material shows excellent rate capability with a specific capacity of 745 mA h g(-1) retained even at a high current density of 5 A g(-1). Detailed DFT-based calculations revealed the role of doped supports in controlling the volume expansion upon lithiation.

1 aDwivedi, Pravin, K.1 aNair, Aathira1 aMehare, Rupali, S.1 aChaturvedi, Vikash1 aJoshi, Kavita1 a uhttps://library.ncl.res.in/content/experimental-and-theoretical-investigations-effect-heteroatom-doped-carbon-microsphere01373nas a2200169 4500008004100000022001400041245012300055210006900178260000800247300001400255490000700269520073000276100002501006700002101031700002101052856013001073 2020 eng d a0021-956800aExperimental vapor-liquid phase equilibrium analysis of the binary systems of aniline with xylene isomers at 93.13 kPa0 aExperimental vaporliquid phase equilibrium analysis of the binar cMAY a2619-26240 v653 a

In the present work, vapor-liquid phase equilibrium (VLE) analyses of binary systems of aniline with four isomers of xylene, comprising p-xylene, m-xylene, o-xylene, and ethylbenzene, are reported at 93.13 kPa. The experimental VLE data was generated in a dynamic circulating vapor-liquid, and the data was found thermodynamically consistent using the Van Ness point-to-point consistency test. The experimental VLE data was regressed with the Wilson, NRTL, and UNIQUAC activity coefficient models to obtain the binary interaction parameters. No azeotropic or close-boiling behavior was observed in any of the binary pair, and these pairs were found suitable for separation through a conventional distillation method.

1 aYadav, Satyajeet, S.1 aMali, Nilesh, A.1 aJoshi, Sunil, S. uhttps://library.ncl.res.in/content/experimental-vapor-liquid-phase-equilibrium-analysis-binary-systems-aniline-xylene-isomers01652nas a2200217 4500008004100000022001400041245011700055210006900172260000900241300001400250490000700264520090000271100001701171700001701188700002301205700001501228700001801243700002201261700002101283856013001304 2020 eng d a0020-166900aExploring magnetic XY behavior in a quasi-2D anisotropic triangular lattice of Cu(II) by functionalized graphene0 aExploring magnetic XY behavior in a quasi2D anisotropic triangul cMAY  a6214-62190 v593 a

Study on magnetism in two-dimensional (2D) spin-lattices is advancing rapidly. In this work, phase-pure botallackite (Bo) (Cu-2(OH)(3)Br), a quasi-2D S = 1/2 anisotropic triangular spin-lattice is stabilized over 2D reduced graphene oxide (rGO) nanosheets via simple oxidation-reduction reaction chemistry. In comparison to polycrystalline Bo, such an anchoring resulted in the oriented growth of Bo crystallites in the Bo-rGO system. The Bo-rGO nanocomposite was found to be magnetically active with a Neel transition at 8.9 K, crossing over to possible XY anisotropy at similar to 5 K-as revealed by complementary dc and ac susceptibility measurements-an unprecedented observation in the field assigned to an interfacial effect. This work demonstrates the potential usage of nonmagnetic 2D functionalized graphene to significantly modulate the magnetic properties of 2D spin-lattices.

1 aGupta, Kriti1 aDadwal, Arun1 aJha, Plawan, Kumar1 aJain, Anil1 aYusuf, S., M.1 aJoy, Pattayil, A.1 aBallav, Nirmalya uhttps://library.ncl.res.in/content/exploring-magnetic-xy-behavior-quasi-2d-anisotropic-triangular-lattice-cuii-functionalized01766nas a2200169 4500008004100000022001400041245010300055210006900158260000900227300001400236490000700250520114600257100002201403700002101425700002101446856012901467 2020 eng d a0888-588500aExtractive distillation configuration for nitric acid dehydration using sulfuric acid as a solvent0 aExtractive distillation configuration for nitric acid dehydratio cAPR  a6183-61930 v593 a

In this work, an extractive distillation configuration for dehydration of nitric acid is proposed with sulfuric acid as a solvent. Thermodynamic modeling of the vapor-liquid equilibrium of binary and ternary systems of nitric acid/water/sulfuric acid is carried out using the electrolyte non-random two-liquid (eNRTL-RK) thermodynamic property method in the Aspen plus process simulator. The model performance is validated by comparing the experimental data with the estimated data by the eNRTL-RK model and is found to be in good agreement. The thermodynamic model is then used for developing a triple-column extractive distillation sequence, comprising a preconcentration column, an extractive distillation column, and a solvent recovery column. The configuration is designed, simulated, and optimized to concentrate dilute nitric acid using sulfuric acid as a solvent to break the nitric acid-water azeotrope. The operating and structural parameters of the distillation configuration are optimized simultaneously with an objective of minimizing the energy consumption and the total annual cost (TAC) of the overall configuration.

1 aGhuge, Pravin, D.1 aMali, Nilesh, A.1 aJoshi, Sunil, S. uhttps://library.ncl.res.in/content/extractive-distillation-configuration-nitric-acid-dehydration-using-sulfuric-acid-solvent02440nas a2200277 4500008004100000022001400041245013600055210006900191260000800260300001100268490000800279520148000287653001401767653001801781653003401799653002501833653001701858653002501875653001101900100002201911700002901933700002401962700002601986700002002012856013002032 2020 eng d a0926-669000aGeneration of novelties in the genus Ocimum as a result of natural hybridization: a morphological, genetical and chemical appraisal0 aGeneration of novelties in the genus Ocimum as a result of natur cNOV a1128590 v1563 a

The genus Ocimum is a boutique of a diverse set of specialized metabolites such as terpenoids and phenylpropanoids. Each Ocimum species and its cultivars represent a characteristic chemical profile. The present study explored the two interspecific Ocimum hybrids originating through a serendipitous natural cross between O. kilimandscharicum and O. basilicum. These two novel Ocimum hybrids exhibited intermediate morphological features of two parental species. Inter simple sequence repeats (ISSR) analysis and DNA barcoding with the plastid non-coding trnH-psbA intergenic spacer region reaffirmed unambiguous parental identification and differentiation of these natural hybrids from other available Ocimum species. Consequently, gas chromatographymass spectrometry-based metabolite profiling of two hybrids identified them as specific chemotypes with the presence of a unique blend of specialized metabolites from the parental species, which are either rich in terpenes or phenylpropanoids. Additionally, expression analysis of key genes from terpenoid and phenylpropanoid pathways corroborated with differential metabolite accumulation. Thus, these two Ocimum hybrids represented the novel chemotypes, which could be useful in commercial cultivation to produce novel essential oil and bioactive constituents. Further, the resulting metabolite diversity could have potential industrial applications in the areas of healthcare, bioremediation, and crop protection.

10aChemotype10aDNA barcoding10aInter Simple Sequence Repeats10aInterspecific hybrid10aO. basilicum10aO. kilimandscharicum10aOcimum1 aGurav, Tanuja, P.1 aJayaramaiah, Ramesha, H.1 aPunekar, Sachin, A.1 aDholakia, Bhushan, B.1 aGiri, Ashok, P. uhttps://library.ncl.res.in/content/generation-novelties-genus-ocimum-result-natural-hybridization-morphological-genetical-and02789nas 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-cerpegin00641nas a2200169 4500008004100000022001400041245011900055210006900174260000800243300001200251490000800263100002000271700001700291700001800308700001800326856012700344 2020 eng d a0254-629900aInduction of somatic embryogenesis in leaf and root explants of Digitalis lanata Ehrh.: direct and indirect method0 aInduction of somatic embryogenesis in leaf and root explants of  cMAY a356-3650 v1301 aBhusare, B., P.1 aJohn, C., K.1 aBhatt, V., P.1 aNikam, T., D. uhttps://library.ncl.res.in/content/induction-somatic-embryogenesis-leaf-and-root-explants-digitalis-lanata-ehrh-direct-and02422nas a2200193 4500008004100000022001400041245008600055210006900141260000800210300001600218490000800234520177600242100001702018700001702035700001902052700002202071700002102093856011402114 2020 eng d a1932-744700aIntegrating structurally perfect s=1/2 kagome-lattice with reduced graphene oxide0 aIntegrating structurally perfect s12 kagomelattice with reduced  cSEP a19753-197590 v1243 a

S = 1/2 kagome-lattice hydroxychlorides are promising candidates for realizing the elusive quantum spin liquid (QSL) state. Herbertsmithite [Cu3Zn(OH)(6)Cl-2], a naturally occurring hydroxychloride mineral from the class of atacamites {[Cu-4-xMx(OH)(6)X-2] where M = Zn, Cu, Co, Ni and X = Cl, Br, I}, is one of the most appealing systems to study the QSL state because of the presence of a structurally perfect S = 1/2 kagome-lattice. It is an electrical insulator. However, realizing phase-pure herbertsmithite without imposing harsh reaction conditions remained synthetically challenging. In this work, for the first time, we have synthesized phase-pure herbertsmithite as well as its structural analogue paratacamite, [ZnxCu4-x(OH)(6)Cl-2; 0.33 = x < 1], at ambient reaction conditions. Furthermore, taking graphene oxide (GO) as an additional precursor in the reaction mixture, we have successfully integrated phase-pure crystallites of herbertsmithite (H) and paratacamite (P) with nanosheets of semiconducting and diamagnetic reduced graphene oxide (rGO) by in situ oxidation-reduction reaction. The isolated H-rGO and P-rGO systems were found to be magnetic semiconductors inheriting strong spin frustration from H and P, and semiconductivity from rGO. The H-rGO system in particular exhibited negative Seebeck coefficient (n-type semiconductor) with a thermoelectric power factor of 0.1 mu W center dot m(-1)center dot K-2 at 400 K. We anticipate the simple chemical principles outlined in this work to be useful for studying a variety of complex QSLs including electron doping. Also, semiconducting and rather unconventional materials of such metal oxochlorides with rGO isolated here need further exploration in view of thermoelectric applications.

1 aGupta, Kriti1 aDadwal, Arun1 aNinawe, Pranay1 aJoy, Pattayil, A.1 aBallav, Nirmalya uhttps://library.ncl.res.in/content/integrating-structurally-perfect-s12-kagome-lattice-reduced-graphene-oxide01849nas a2200217 4500008004100000022001400041245008600055210006900141260000800210300001100218490000800229520110200237653003501339653002601374653003301400653002201433100002001455700002101475700002101496856011401517 2020 eng d a0255-270100aIntensified reactive distillation configurations for production of dimethyl ether0 aIntensified reactive distillation configurations for production  cMAR a1078240 v1493 a

The combustion properties of dimethyl ether (DME) are similar to the conventional fuels; hence it is being used as a promising green energy source. The conventional method of DME production by methanol dehydration is highly energy consuming due to the use of a series of distillation columns. In the present study, an energy efficient reactive distillation configuration is proposed for DME production which leads to higher methanol conversion with less energy requirement as compared to reported configurations. The reactive distillation (RD) and dual reaction zone reactive divided wall column (RDWC) were analyzed using steady state ASPEN simulations. Subsequently, all the design parameters were optimized by sensitivity analysis to minimize the Total Annual Cost (TAC) of the configuration. The results showed that the RD column is more energy efficient than RDWC as it requires 10.68 % less TAC. The proposed RD and dual reaction zone RDWC configurations were found to have less specific energy requirements and less cost per kg of DME than any other configuration reported earlier.

10aEnergy efficient configuration10aReactive distillation10aReactive divided wall column10aTotal annual cost1 aGor, Nikhil, K.1 aMali, Nilesh, A.1 aJoshi, Sunil, S. uhttps://library.ncl.res.in/content/intensified-reactive-distillation-configurations-production-dimethyl-ether02123nas a2200265 4500008004100000022001400041245013800055210006900193260000900262300001400271490000700285520121800292653002001510653001501530653001901545653002501564653001401589653000901603100002201612700002901634700001801663700002601681700002001707856013001727 2020 eng d a2155-543500aIron-catalyzed C(sp(2))-H alkylation of indolines and benzo[h]quinoline with unactivated alkyl chlorides through chelation assistance0 aIroncatalyzed Csp2H alkylation of indolines and benzohquinoline  cJUL  a7312-73210 v103 a

Regioselective C-H bond alkylation of indolines and benzo[h]quinoline with a wide range of unactivated and highly demanded primary and secondary alkyl chlorides is accomplished using a low-cost iron catalyst. This reaction tolerates diverse functionalities, such as C(sp(2))-Cl, fluoro, alkenyl, silyl, ether, thioether, pyrrolyl, and carbazolyl groups including cyclic and acyclic alkyls as well as alkyl-bearing fatty-alcohol and polycyclic-steroid moieties. The demonstrated iron-catalyzed protocol proceeded via either a five-membered or a six-membered metallacycle. Intriguingly, the C-7-alkylated indolines can be readily functionalized into free-NH indolines/indoles and tryptamine derivatives. A detailed mechanistic investigation highlights the participation of an active Fe(I) catalyst and the involvement of a halogen-atom transfer process via a single-electron-based mechanism. Deuterium labeling and kinetics analysis indicate that the C-H metalation of indoline is the probable turnover-limiting step. Overall, the experimental and theoretical studies supported an Fe(I)/Fe(III) pathway for the alkylation reaction comprising the two-step, one-electron oxidative addition of alkyl chloride.

10aalkyl chlorides10aAlkylation10aC-H activation10achelation assistance10aindolines10airon1 aJagtap, Rahul, A.1 aSamal, Pragnya, Paramita1 aVinod, C., P.1 aKrishnamurty, Sailaja1 aPunji, Benudhar uhttps://library.ncl.res.in/content/iron-catalyzed-csp2-h-alkylation-indolines-and-benzohquinoline-unactivated-alkyl-chlorides02899nas a2200157 4500008004100000245005900041210005800100260004400158490000900202520236600211100001702577700001702594700001802611700002102629856009102650 2020 eng d00aMagnetism in bimetallic NiII-CoII coordination polymer0 aMagnetism in bimetallic NiIICoII coordination polymer bAmerican Institute of Physics Inc.cNOV0 v22653 a

Co-BDC ([Co2(OH)2BDC], H2BDC = 1,4-benzenedicarboxylic acid) is known to possess metamagnetism originating from the antiparallel spins and high magneto crystalline anisotropy of Co(II).1 Herein, we have introduced a bimetallic concept by incorporating Ni(II) along with Co(II) in the same coordination polymer to modulate the magneto crystalline anisotropy in the lattice which in turn, affects the overall magnetic response of the coordination polymer. The Curie-Weiss equation fit suggested antiparallel arrangement of the spins (θ ≈ -62.5 K) of Ni(II) and Co(II) arranged in alternate fashion. The cusp in magnetization was observed at 7 K (Tc) with a significant coercive field of ∼750 Oe at 5 K.

1 aGupta, Kriti1 aDadwal, Arun1 aJoy, Pattayil1 aBallav, Nirmalya uhttps://library.ncl.res.in/content/magnetism-bimetallic-niii-coii-coordination-polymer02043nas a2200265 4500008004100000022001400041245007100055210006900126260000800195300001100203490000800214520127000222653000801492653000901500653002901509653001201538100001801550700002001568700002001588700002501608700001701633700001301650700001801663856009601681 2020 eng d a0169-433200aMixed metal oxide: a new class of catalyst for methanol activation0 aMixed metal oxide a new class of catalyst for methanol activatio cDEC a1474490 v5343 a

In this work, we propose a mixed metal oxide as a catalyst and demonstrate it's ability to not only activate the MeOH molecule upon adsorption but also dissociate O-H and one of it's C-H bonds. MeOH activation is compared on two prominent facets of ZnAl(2)O(4 )viz. (2 2 0) and (31 1). While spontaneous O-H bond dissociation is observed on both facets, C-H bond dissociates only on the (3 1 1) surface. Multiple factors like atomic arrangement and steps on the surface, coordination of surface atoms, and their effective charges have a combined effect on MeOH activation. The (3 1 1) surface offers higher catalytic activity in comparison with (2 2 0) surface. Having a stepped surface, availability of multiple sites, and variation in the charge distribution are some of the reasons for better catalytic performance of (3 1 1) facet. Effect of orientation of MeOH with respect to the surface adds both, information and complexity to the problem. Observations pertinent to understanding this effect are also reported. A detailed analysis of atomic arrangement on the two surfaces provides a rationale as to why MeOH gets dissociated spontaneously on the mixed metal oxide. The promising results reported here opens up a new class of catalyst for research.

10aDFT10aMeOH10aSpontaneous dissociation10aZnAl2O41 aMehta, Shweta1 aAgarwal, Sheena1 aKenge, Nivedita1 aMekala, Siva, Prasad1 aPatil, Vipul1 aRaja, T.1 aJoshi, Kavita uhttps://library.ncl.res.in/content/mixed-metal-oxide-new-class-catalyst-methanol-activation01478nas a2200301 4500008004100000022001400041245013000055210006900185260000900254300001400263490000700277520047600284653003400760653000800794653001800802653002700820653001200847653001000859100002400869700002700893700002400920700002200944700002500966700001500991700002201006700001701028856013101045 2020 eng d a0039-791100aMizoroki-Heck reaction of 1,2-disubstituted aryl alkenes: variables of synthesis, solvent and ligand modulation of reactivity0 aMizorokiHeck reaction of 12disubstituted aryl alkenes variables  cDEC  a3796-38030 v503 a

Reaction of aryl iodides with 1,2-disubstituted aryl alkenes in the presence of TBABr/TBACl gave high yields of the Mizoroki-Heck product. Phosphine ligands were used for the modulation of reactivity and stereoselectivity, for the reaction of 4-iodoanisole with cinnamaldehyde. tert-Bu3P.HBF(4)gave the highest E:Z ratio of 1:0.08. The use of PEG-200 and PEG-400 as solvent could activate the reaction of aryl iodides with various 1,2-disubstituetd aryl alkenes.

10a12-Disubstituted aryl alkenes10a40010aligand effect10aMizoroki-Heck reaction10aPEG 20010aTBABr1 aBangar, Pronnoy, G.1 aJawalkar, Priyanka, R.1 aDumbre, Swapnil, R.1 aRaut, Pallavi, K.1 aPatil, Dharmaraj, J.1 aTv, Neethu1 aSudhakaran, Shana1 aIyer, Suresh uhttps://library.ncl.res.in/content/mizoroki-heck-reaction-12-disubstituted-aryl-alkenes-variables-synthesis-solvent-and-ligand01203nas a2200169 4500008004100000022001400041245009000055210006900145260000800214300001400222490000700236520060400243100002200847700002400869700002000893856012000913 2020 eng d a1523-706000aMnBr2-catalyzed direct and site-selective alkylation of indoles and benzo[h]quinoline0 aMnBr2catalyzed direct and siteselective alkylation of indoles an cJUN a4643-46470 v223 a

Manganese-catalyzed regioselective C-H alkylation of indoles and benzo[h]quinoline with a variety of unactivated alkyl iodides is reported. Unlike other Mn-catalyzed C-H functionalization, this protocol does not require a Grignard reagent base and employs a simple and inexpensive MnBr2 as a catalyst. This method tolerates diverse functionalities, including fluoro, chloro, bromo, iodo, alkenyl, alkynyl, pyrrolyl, and carbazolyl groups. The alkylation proceeds through a single-electron transfer pathway comprising reversible C-H manganesation and involving an alkyl radical intermediate.

1 aJagtap, Rahul, A.1 aVerma, Suryadev, K.1 aPunji, Benudhar uhttps://library.ncl.res.in/content/mnbr2-catalyzed-direct-and-site-selective-alkylation-indoles-and-benzohquinoline02635nas a2200229 4500008004100000022001400041245012200055210006900177260000800246300001100254490000900265520184800274653001602122653001802138653002802156653001102184653002702195100002202222700002202244700002002266856011902286 2020 eng d a0304-416500aMolecular determinant for specificity: differential interaction of alpha-amylases with their proteinaceous inhibitors0 aMolecular determinant for specificity differential interaction o cDEC a1297030 v18643 a

Background: alpha-Amylase inhibitors (alpha-AIs) belong to the discrete classes, and exhibited differential specificities against alpha-amylases from various sources. Several alpha-amylases and their complexes with inhibitors at the molecular level have been studied in detail. Interestingly, some alpha-AIs depict specific and selective interactions amid different insect alpha-amylases. Scope of review: There are studies to understand evolutionary variability and functional differentiation of insect alpha-amylases and their cognate inhibitors. We have examined sequence, structural, and interaction diversity between various alpha-amylases and alpha-AIs. Based on these analyses, we are providing a potential basis for the functional differentiation among certain insect a-amylases concerning mammalian counterparts and their interactions with different proteinaceous alpha-AIs. Major conclusions: Insect alpha-amylases have conserved domain architecture with differences in length, number of disulfide bonds, and secondary structure. Furthermore, few of them exhibit variable characteristics like chloride dependent activity, the presence of N-terminal glutamine residue to protect against proteolytic degradation, and loop variations near the enzyme active site. Conformation of alpha-AI protein could be an essential factor for their specificity and binding affinities towards target alpha-amylase(s). Furthermore, variation into the enzyme binding pocket residues might contribute to differential interactions with inhibitors. General significance: Molecular insights in the interactions between insect alpha-amylases and plant alpha-AI will provide the details of mechanisms assisting the inhibitor specificity. Furthermore, this information will help to design potent and effective alpha-AIs against specific alpha-amylase.

10aActive site10aalpha-amylase10aalpha-amylase inhibitor10aInsect10amolecular interactions1 aRane, Ashwini, S.1 aJoshi, Rakesh, S.1 aGiri, Ashok, P. uhttps://library.ncl.res.in/content/molecular-determinant-specificity-differential-interaction-alpha-amylases-their02489nas a2200241 4500008004100000022001400041245010400055210006900159260000800228300001400236490000800250520167700258653001801935653002801953653001801981653001501999653001702014100002202031700002102053700002202074700002002096856013102116 2020 eng d a0141-813000aMolecular investigation of coleopteran specific alpha-amylase inhibitors from amaranthaceae members0 aMolecular investigation of coleopteran specific alphaamylase inh cNOV a1444-14500 v1633 a

alpha-Amylase inhibitors (alpha-AIs) target alpha-amylases and interfere with the carbohydrate digestion of insects. Among different classes of alpha-AIs, a knottin-type inhibitor from Amaranthus hypochondriacus (AhAI) was found to be specific against coleopteran storage pests. In this report, we have characterized three previously unidentified knottin-type alpha-AIs from various Amaranthaceae plants namely, Amaranthus hypochondriacus (AhAI2), Alternanthera sessilis (AsAI) and Chenopodium quinoa (CqAI). They contain a signal peptide, pro-peptide, and mature peptide. The mature peptides of the new alpha-AIs shared 68 to 78% identity with AhAI and have highly variable pro-peptide regions. Along with the cystine-knot fold, they showed conservation of reactive site residues. All recombinant alpha-AIs were successfully expressed in their active form and native state using an oxidative cytoplasmic environment. Inhibition studies against various amylases revealed that these inhibitors showed selective inhibition of coleopteran recombinant insect alpha-amylases viz., Tribolium castaneum, and Callosobruchus chinensis. Tribolium castaneum alpha-amylase inhibition potency was highest for AhAI2 (Ki similar to 15 mu M) followed by AsAI (Ki similar to 43 mu M) and CqAI (Ki similar to 61 mu M). Interaction analysis of these inhibitors illustrated that the reactive site of inhibitors make several non-covalent interactions with the substrate-binding pocket of coleopteran alpha-amylases. The selectivity of these inhibitors against coleopteran a-amylases highlights their potential in storage grain pest control. (C) 2020 Elsevier B.V. All rights reserved.

10aalpha-amylase10aalpha-amylase inhibitor10aAmaranthaceae10aColeoptera10aKnottin-type1 aRane, Ashwini, S.1 aVenkatesh, Varun1 aJoshi, Rakesh, S.1 aGiri, Ashok, P. uhttps://library.ncl.res.in/content/molecular-investigation-coleopteran-specific-alpha-amylase-inhibitors-amaranthaceae-members02308nas a2200181 4500008004100000022001400041245009000055210006900145260000900214300001600223490000700239520167700246100002701923700001701950700001601967700002301983856012002006 2020 eng d a0888-588500aNovel flow reactor for handling suspensions: hydrodynamics and performance evaluation0 aNovel flow reactor for handling suspensions hydrodynamics and pe cSEP  a16462-164720 v593 a

A novel reactor concept that can handle solid particles without any moving components in the reactor is proposed and demonstrated in this work. The proposed reactor is designed by arranging the unique shape cavities in a sequence where inlet and outlets are positioned off-center to each other at specific angles and distance. Detailed flow simulation suggested that cavities with diameter D, having aspect ratio H/D similar to 1.53, outlet (having a diameter of 0.2D) positioned at 0.3D from the center and at 180 degrees with reference to the inlet is suitable for the expected performance. The proposed geometry of the reactor with the optimal geometrical configuration was fabricated and hydrodynamics (viz. pressure drop, mass transfer, and heat transfer, and residence time distribution) were studied. The reactor also offered high mass transfer coefficients and is useful for liquid-liquid reactions and extraction. A variety of solid suspensions (glass particles, activated carbon, starch particles, magnesium hydroxide) were tested over a wide range of flow rates for checking the solid handling capability of the reactor. The neutralization reaction of NaOH (with dissolved a-naphthol) with concentrated HCl that results in almost instantaneous precipitation of a-naphthol from the solution is used as a test reaction for a range of a-naphthol concentrations to change the suspension loading. It is shown that the proposed reactor can handle up to 22% (w/v) solid concentration without any clogging for a longer duration of the operation. However, for sticky solid particles, the same reactor would get clogged at the outlet ports for smaller diameters.

1 aSharma, Mrityunjay, K.1 aSuru, Aditya1 aJoshi, Anuj1 aKulkarni, Amol, A. uhttps://library.ncl.res.in/content/novel-flow-reactor-handling-suspensions-hydrodynamics-and-performance-evaluation01579nas a2200229 4500008004100000022001400041245015900055210006900214260000800283300001400291490000700305520072400312653004101036653001801077653003601095653001501131653001301146100002201159700002101181700002101202856012601223 2020 eng d a0922-616800aNovel synthesis of 3-((benzo[d]thiazol-2-ylamino)(phenyl)methyl)-4-hydroxy-1-methylquinol in-2(1H)-one via consecutive C-C and C-N bond formation in water0 aNovel synthesis of 3benzodthiazol2ylaminophenylmethyl4hydroxy1me cAUG a3801-38150 v463 a

A simple, efficient, and eco-friendly protocol has been developed for the synthesis of novel 3-((benzo[d]thiazol-2-ylamino)(4-methoxyphenyl)methyl)-4-hydroxy-1-met hylquinolin-2(1H)-one derivatives using a one-pot C-C and C-N bond forming strategy from the reaction of 4-hydroxy-1-methylquinolin-2(1H)-one, 2-aminobenzothiazole and aromatic aldehydes in aqueous solvent without using any metal catalyst. Several advantages of this protocol include its operational simplicity, short reaction time, mild reaction condition, efficient utilization of all the reactants, wide functional group tolerance, using water as an environmentally friendly solvent and non-chromatographic purification procedure. [GRAPHICS] .

10a4-Hydroxy-1-methylquinolin-2(1H)-one10aGreen solvent10aMulticomponent reactions (MCRs)10aQuinolines10aThiazole1 aYadav, Maruti, B.1 aVagh, Sandip, S.1 aJeong, Yeon, Tae uhttps://library.ncl.res.in/content/novel-synthesis-3-benzodthiazol-2-ylaminophenylmethyl-4-hydroxy-1-methylquinol-21h-one02644nas a2200265 4500008004100000022001400041245013600055210006900191260000800260300001400268490000800282520168600290653002501976653004102001653002202042653003902064653001902103100002302122700002102145700002402166700001902190700002102209700002902230856011902259 2020 eng d a1011-372X00aOrganocatalytic cascade knoevenagel-michael addition reactions: direct synthesis of polysubstituted 2-amino-4H-chromene derivatives0 aOrganocatalytic cascade knoevenagelmichael addition reactions di cAUG a2331-23510 v1503 a

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

10a2-Amino-4H-chromines10aAmine functionalized solid catalysts10acascade synthesis10aDiversity oriented syntheses (DOS)10aflow chemistry1 aJadhav, Sanjay, N.1 aPatil, Seema, P.1 aSahoo, Dipti, Prava1 aRath, Dharitri1 aParida, Kulamani1 aRode, Chandrashekhar, V. uhttps://library.ncl.res.in/content/organocatalytic-cascade-knoevenagel-michael-addition-reactions-direct-synthesis02455nas a2200157 4500008004100000022001400041245012000055210006900175260000900244300001100253490000800264520186100272100001702133700001602150856013102166 2020 eng d a0167-732200aParticle size effect in different base fluids on the thermal conductivity of fatty acid coated magnetite nanofluids0 aParticle size effect in different base fluids on the thermal con cAPR  a1126500 v3033 a

The effect of particle size on the thermal conductivity of nanofluids is studied by dispersing myristic acid coated magnetite (Fe3O4) nanoparticles in two different base fluids; toluene and kerosene. Magnetite nanoparticles of three different sizes 4, 7 and 10 nm dispersed in toluene and kerosene showed a linear increase in the thermal conductivity with increasing concentration of the nanopartides, above a critical concentration. The critical concentration below which the thermal conductivity remained unchanged with the concentration of the nanopartides is found to be lower for the kerosene-based fluids. The variation of thermal conductivity with particle size is without any clear trend. However, within the measurement errors (+/- 1%), the toluene-based fluids showed a decrease in the thermal conductivity with increasing particle size, whereas the opposite trend is observed for the kerosene-based fluids. Also, the kerosene-based fluids at similar concentrations of the nanopartides showed relatively larger enhancement in the thermal conductivity than the toluene-based fluids. The observed role of the base fluid in enhancing the thermal conductivity is correlated with the difference in the solvent-surfactant interactions which in turn affect the interfacial thermal resistance at the particle-fluid interface. The thermal conductivity of the nanofluids in toluene and kerosene is also found to show different trends with the size of the particles in the presence of an external magnetic field. The difference in the enhancement of thermal conductivity of the fluids in a magnetic field is explained in terms of the differences in the magnetic dipolar interactions, clustering/ agglomeration, and magnetic characteristics of the samples as well as the characteristics of the base fluid. (C) 2020 Elsevier B.V. All rights reserved.

1 aDadwal, Arun1 aJoy, P., A. uhttps://library.ncl.res.in/content/particle-size-effect-different-base-fluids-thermal-conductivity-fatty-acid-coated-magnetite02148nas a2200301 4500008004100000022001400041245013100055210006900186260000800255300001100263490000800274520114300282653002001425653002501445653001701470653003501487653001901522653001301541653001201554653001401566653002001580100002101600700002201621700002101643700002501664700002501689856013201714 2020 eng d a0306-987700aPossible role of glycation in the regulation of amyloid beta precursor protein processing leading to amyloid beta accumulation0 aPossible role of glycation in the regulation of amyloid beta pre cSEP a1097990 v1423 a

Alzheimer's disease (AD) is one of the most common forms of neurodegenerative diseases amongst the aged population. The disease is multifactorial, and diabetes has been considered as one of the major risk factors for the development of AD. Chronic hyperglycemic condition in diabetes promotes non-enzymatic protein modification by glucose termed as glycation, which affects protein structure and function. Previous studies have shown that many of the enzymes, including proteases, are affected by glycation. Conversely, glycated proteins are known to become resistant to protease action. In these hypotheses, we have extended these two concepts to the regulation of amyloid-beta protein precursor (A beta PP) by secretases leading to amyloid-beta (Af3) accumulation. The first hypothesis deals with the glycation of alpha-secretases leading to its reduced activity, while in the second hypothesis, A beta PP glycation may prevent a-secretases action, rendering its processing by beta secretase. As diabetes is a risk factor for the development of AD, either or both these pathways may operate, leading to the manifestation of AD.

10aAlpha-secretase10aAlzheimer `s disease10aAmyloid-beta10aAmyloid-beta protein precursor10aBeta-secretase10aDiabetes10aglucose10aGlycation10aType-3 diabetes1 aPatil, Gouri, V.1 aJoshi, Rakesh, S.1 aKazi, Rubina, S.1 aKulsange, Shabda, E.1 aKulkarni, Mahesh, J. uhttps://library.ncl.res.in/content/possible-role-glycation-regulation-amyloid-beta-precursor-protein-processing-leading-amyloid02703nas a2200373 4500008004100000245020100041210006900242260000800311300000900319490000700328520137100335653002501706653003501731653001901766653002001785653002101805100002901826700002601855700001701881700002701898700002701925700002201952700002801974700002102002700002102023700002302044700002102067700001502088700002702103700001502130700002602145700002802171856013002199 2020 eng d00aPreparation, spectroscopic characterization, theoretical investigations, and in vitro anticancer activity of Cd(II), Ni(II), Zn(II), and Cu(II) complexes of 4(3H)-quinazolinone-derived schiff base0 aPreparation spectroscopic characterization theoretical investiga cDEC a59730 v253 a

Herein, we report the synthesis and characterization of a new Schiff base ligand 3-[[(E)-(3-hydroxyphenyl)-methylidene]amino]-2-methyl-quinazolin-4(3 H)-one (HAMQ) and its Cd(II), Ni(II), Zn(II), and Cu(II) complexes (C-1-C-4). The ligand HAMQ was synthesized by reacting 3-hydroxybenzaldehyde and 3-amino-2-methyl-4(3H)-quinazolinone in a 1:1 molar ratio. The structure of the ligand and its complexes (C-1-C-4) were evaluated using ultraviolet (UV)-visible (Vis) light spectroscopy, H-1-NMR, Fourier-transform infrared (FT-IR) spectroscopy, MS, elemental analysis, conductance data, and thermogravimetric analysis (TGA). The characterization results suggested that the bidentate ligand, HAMQ, coordinated to the metal center through the lactum oxygen and the azomethine nitrogen. Moreover, all the metal complexes were analyzed using powder X-ray diffraction studies, which revealed that all of them belong to a triclinic crystal system. The research was supplemented by density functional theory (DFT) studies on the IR and UV-Vis spectra, as well as the chemical reactivity of the HAMQ and its four metallic derivatives making use of conceptual density functional theory (CDFT) by means of KID (Koopmans in DFT) methodology. The synthesized complexes displayed significant in vitro anticancer activity against human cancer cell lines (HeLa and HCT-115).

10a3-quinolin-4(3H)-one10achemical reactivity properties10aconceptual DFT10aMetal complexes10aspectral studies1 aAshok, Ubale, Panchsheel1 aKollur, Shiva, Prasad1 aAnil, Nishad1 aArun, Bansode, Prakash1 aJadhav, Sanjay, Namdev1 aSarsamkar, Sanjay1 aHelavi, Vasant, Baburao1 aSrinivasan, Asha1 aKaulage, Sandeep1 aVeerapur, Ravindra1 aAl-Rashed, Sarah1 aSyed, Asad1 aOrtega-Castro, Joaquin1 aFrau, Juan1 aFlores-Holguin, Norma1 aGlossman-Mitnik, Daniel uhttps://library.ncl.res.in/content/preparation-spectroscopic-characterization-theoretical-investigations-and-vitro-anticancer00794nas a2200193 4500008004100000022001400041245016300055210006900218260000800287300001100295490000800306100002400314700002900338700002900367700002500396700002900421700002400450856012600474 2020 eng d a1874-391900aProteomic analysis detects deregulated reverse cholesterol transport in human subjects with ST-segment elevation myocardial infarction (vol 222, 103796, 2020)0 aProteomic analysis detects deregulated reverse cholesterol trans cJUL a1038280 v2241 aDas, Apabrita, Ayan1 aChoudhury, Kamalika, Roy1 aJagadeeshaprasad, M., G.1 aKulkarni, Mahesh, J.1 aMondal, Prakash, Chandra1 aBandyopadhyay, Arun uhttps://library.ncl.res.in/content/proteomic-analysis-detects-deregulated-reverse-cholesterol-transport-human-subjects-st03322nas a2200277 4500008004100000022001400041245013900055210006900194260000800263300001100271490000800282520236100290653002002651653001002671653000902681653002202690653003402712653001002746100002402756700002902780700002902809700002502838700002902863700002402892856012802916 2020 eng d a1874-391900aProteomic analysis detects deregulated reverse cholesterol transport in human subjects with ST-segment elevation myocardial infarction0 aProteomic analysis detects deregulated reverse cholesterol trans cJUN a1037960 v2223 a

Reverse cholesterol transport (RCT) plays a critical role in removing cholesterol from the arterial wall. However, very few reports directly relate chronic inflammation and RCT with atherosclerosis. The present study was undertaken to investigate clinical implications of significantly altered circulating proteins in subjects with ST-segment elevation myocardial infarction (STEMI) in the manifestation of atherosclerotic events. Using a casecontrol design, more than 2500 proteins in both STEMI and healthy control subjects were identified by Orbitrap mass spectrometer. Quantitative proteomics study revealed downregulation of 26 proteins while expression of 38 proteins increased significantly in STEMI subjects compared to healthy controls. Pathway enrichment analyses indicated that most of the identified proteins were related to chronic inflammation, atherosclerosis, and RCT. Altered proteins such as AZGP1, ABCA5, Calicin, PGLYRP2, HAVCR2 and C17ORF57 were further validated by Western blotting analysis of human plasma. Pathophysiological significance was studied using macrophage derived foam cell for their critical role in RCT which indicated the imbalance of RCT via the interaction of AZGP1 with CD36. In summary, this study revealed a unique relationship of some novel proteins apparently responsible for impaired RCT and chronic inflammation leading to atherothrombosis and myocardial infarction. Significance: In the present study we identified >= 2500 unique circulating proteins in healthy control and clinically diagnosed STEMI subjects among which 423 proteins were found to be common in both the groups. We further show 64 proteins significantly different between healthy control and STEMI subjects. Proteomic analyses reveal a panel of proteins associated with atherosclerosis and STEMI. One of the proteins, AZGP1, an adipokine, is likely to act as the missing link between chronic inflammation and cholesterol transport. Deregulation of reverse cholesterol transport might be orchestrated by AZGP1, CD36, ABCA5, and PPARy in STEMI subjects. The present study employs shotgun and quantitative proteomics followed by in vitro validations demonstrating a biochemical basis for reverse cholesterol transport in the local milieu of the luminal wall of the artery which are critical for plaque build-up and atherosclerosis.

10aAtherosclerosis10aAZGP110aCD3610aPlasma proteomics10aReverse cholesterol transport10aSTEMI1 aDas, Apabrita, Ayan1 aChoudhury, Kamalika, Roy1 aJagadeeshaprasad, M., G.1 aKulkarni, Mahesh, J.1 aMondal, Prakash, Chandra1 aBandyopadhyay, Arun uhttps://library.ncl.res.in/content/proteomic-analysis-detects-deregulated-reverse-cholesterol-transport-human-subjects-st-001257nas a2200145 4500008004100000245008900041210006900130260000800199490000700207520073300214100001700947700001800964700001800982856011101000 2020 eng d00aRole of exposed crystal facets in the atmospheric pressure CO hydrogenation on Co3O40 aRole of exposed crystal facets in the atmospheric pressure CO hy cJUL0 v233 a

Co3O4 nanostructures with different exposed planes are studied for atmospheric pressure CO hydrogenation. Existence of different facets is characterized by HR-TEM and found Co3O4 - NSP (nanospheres) expose (112) facet, NB (nanobelts) exhibit (110) plane and (100) is the dominant surface facet in NC (nanocubes). Different catalytic activity is demonstrated by the specific facet of Co3O4 catalysts. CO hydrogenation is facet dependent and the catalytic activity follows the order of Co3O4-NB > Co3O4-NC > Co3O4-NSP.

1 aJain, Preeti1 aGupta, Sharad1 aVinod, C., P. uhttps://library.ncl.res.in/content/role-exposed-crystal-facets-atmospheric-pressure-co-hydrogenation-co3o401780nas a2200169 4500008004100000022001400041245008800055210006900143260000900212300001200221490000700233520119400240100002201434700001901456700002101475856011401496 2020 eng d a2044-475300aSelective, bifunctional Cu-WOx/Al2O3 catalyst for hydrodeoxygenation of fatty acids0 aSelective bifunctional CuWOxAl2O3 catalyst for hydrodeoxygenatio cJAN  a268-2770 v103 a

Selective hydrodeoxygenation of oleic acid (OA; in a batch reactor, at 300 degrees C, 30 bar H-2 pressure, reaction time of 1 h and reactant-to-catalyst weight ratio of 2 g OA/0.2 g) forming n-octadecane in yields as high as 93% over a non-noble metal, sulfur-free, bimetallic Cu-WOx/Al2O3 catalyst is reported for the first time. Several Cu-WOx/Al2O3 compositions were prepared by a sequential wet-impregnation method and evaluated. A catalyst with 10 wt% Cu and 4 wt% W enabled the highest activity and selectivity. Upon adding WOx, the amount of moderate and strong acid sites increased and more Cu in the catalyst was in reduced electron-rich metallic (Cu-0) state. The crystallite size and dispersion of Cu were little affected. WOx promoted the fatty acid hydrodeoxygenation activity of Cu. While a monometallic Cu catalyst (10Cu/Al2O3) yielded n-octadecane and n-heptadecane along with high amounts of intermediate octadecanol and octadecanal products, the bimetallic catalyst (10Cu-4WO(x)/Al2O3) gave mainly n-octadecane. Acidity and the high amount of reduced Cu-0 species are responsible for the high catalytic hydrodeoxygenation performance of this bimetallic catalyst.

1 aJanampelli, Sagar1 aSethia, Govind1 aDarbha, Srinivas uhttps://library.ncl.res.in/content/selective-bifunctional-cu-woxal2o3-catalyst-hydrodeoxygenation-fatty-acids02093nas a2200229 4500008004100000022001400041245011100055210006900166260000800235300001400243490000700257520131100264653002001575653001701595653001701612653001801629653001701647100002701664700002101691700002101712856013001733 2020 eng d a2585-729000aSelective monoalkylation of hydroquinone in the presence of SO3H-functionalized ionic liquids as catalysts0 aSelective monoalkylation of hydroquinone in the presence of SO3H cDEC a4461-44710 v743 a

A process aiming atO-alkylation of hydroquinone (HQ), where ionic liquids (ILs) act as catalyst is objectively described. Five SO3H-functionalized ILs having different cations were prepared and characterized by NMR and FTIR techniques. The acidity and thermal stability of ILs were determined by Hammett function and thermogravimetric analysis (TGA), respectively. The catalytic activity of these ILs were tested forO-alkylation of HQ with methanol in 4-methoxyphenol (4MP) in the presence of small amount of benzoquinone (BQ). The effect of reaction parameters such as temperature, time, catalyst loading and substrate concentration on the conversion of HQ and product distribution was examined and optimized to maximize the yield of 4MP using 1,3-disulfonic acid imidazolium hydrogen sulfate (IL2) catalyst. Maximum yield of desired product 4MP 93.79% was obtained at 338 K temperature, 5.45 x 10(-2) mol HQ, 8.33 x 10(-3) mol BQ, and 10.37 mol% catalyst loading in 120 min reaction time. Single-product formation was observed up to 338 K temperature but higher temperature (above 338 K) and longer reaction time resulted in the formation of 2,4-dimethoxyphenol (24DMP) as a by-product. Catalyst recyclability was also established up to the fifth run which showed no declination in its activity.

10a4-Methoxyphenol10aBenzoquinone10aHydroquinone10aionic liquids10aO-alkylation1 aBhongale, Priyanka, V.1 aJoshi, Sunil, S.1 aMali, Nilesh, A. uhttps://library.ncl.res.in/content/selective-monoalkylation-hydroquinone-presence-so3h-functionalized-ionic-liquids-catalysts02108nas a2200169 4500008004100000022001400041245013300055210006900188260000900257300001400266490000700280520145700287100001901744700001801763700002601781856013101807 2020 eng d a1744-683X00aSelf-assembly of novel Fmoc-cardanol compounds into hydrogels - analysis based on rheological, structural and thermal properties0 aSelfassembly of novel Fmoccardanol compounds into hydrogels anal cJUL  a6294-63030 v163 a

Hydrogels of low molecular weight molecules are particularly appealing for various biomedical applications such as drug delivery, tissue engineering, and antitumor therapy due to their excellent biocompatibility, biodegradability, and easy availability. Fmoc-peptide hydrogels form an essential category of these hydrogels. Herein we report a new class of Fmoc hydrogels in which cardanol (3-pentadecyl phenol (PDP)) is covalently linked with fluorenylmethyloxycarbonyl group. Cardanol is a plant-based renewable raw material, readily obtained from Cashew Nut Shell Liquid (CNSL). The long aliphatic chain of pentadecyl phenol helps in bringing a structural incompatibility and generates different nanostructures such as nanospheres, nanotapes, and nanofibers depending on Fmoc substitution and the solvents used. Stable hydrogels were formed from Fmoc-PDP in DMSO/H2O, and the critical aggregation concentration (CAC) and critical gelation concentration (CGC) were determined. The role of non-covalent forces such as hydrogen-bonding, hydrophobicity, and pi-pi stacking interactions in governing self-assembly to hydrogel formation was studied for Fmoc, DiFmoc and Boc groups attached to PDP. The thermal properties were analyzed, and smectic and nematic phases were identified for the molecules depending on the substitutions involved. Overall the study supports the mechanisms of aggregation and gelation in novel Fmoc-cardanol derivatives.

1 aKadeeja, Aliya1 aJoseph, Seena1 aAbraham, Jancy, Nixon uhttps://library.ncl.res.in/content/self-assembly-novel-fmoc-cardanol-compounds-hydrogels-analysis-based-rheological-structural01675nas a2200241 4500008004100000022001400041245009400055210006900149260000900218490000800227520077000235653006901005653003901074653002001113653005701133653002001190100002401210700002701234700001601261700001801277700001601295856012201311 2020 eng d a0026-897600aShape resonance of sulphur dioxide anion excited states using the CAP-CIP-FSMRCCSD method0 aShape resonance of sulphur dioxide anion excited states using th cAUG 0 v1183 a

We have studied the shape resonance of excited states of sulphur dioxide (SO2) anion by using the correlated independent particle Fock space multi-reference coupled cluster (CAP-CIP-FSMRCCSD) method augmented by complex absorption potential. These resonant states have been trapped experimentally in recent years by electron collision. In particular, we have investigated e(-)-SO2 scattering and computed the negative-ion resonance states of the anion responsible for the two resonances around 4.45 and 6.56 eV and compared the results with the existing experimental observations. From the computational results using the CAP-CIP-FSMRCCSD method, it has been observed that both the resonances near 4.45 and 6.56 eV result from A(1) symmetries. [GRAPHICS] .

10aCAP augmented correlated independent particle (CAP-CIP-FSMRCCSD)10acomplex absorption potential (CAP)10acoupled cluster10aFock space multireference coupled cluster (FSMRCCSD)10ashape resonance1 aBasumallick, Suhita1 aBhattacharya, Sumantra1 aJana, Irina1 aVaval, Nayana1 aPal, Sourav uhttps://library.ncl.res.in/content/shape-resonance-sulphur-dioxide-anion-excited-states-using-cap-cip-fsmrccsd-method01931nas a2200205 4500008004100000245016400041210006900205260000800274300001000282490000700292520115900299100001701458700001801475700002501493700001701518700002001535700001901555700002401574856012701598 2020 eng d00aSimultaneous determination of anthraquinone, flavonoids, and phenolic antidiabetic compounds from cassia auriculata seeds by validated UHPLC based MS/MS method0 aSimultaneous determination of anthraquinone flavonoids and pheno cDEC a82-890 v113 aA systematic isolation and characterization study for Cassia auriculata (CA) seeds resulted in identifying antidiabetic compounds 1,3,8-trihydroxyanthraquinone and quercetin, quercetin-3-O-rutinoside, gallic acid, caffeic acid, ferulic acid, and ellagic acid. The ultra-high-performance liquid chromatography based triple quadrupole mass spectrometry methodology was developed and validated for simultaneous identification and confirmation of these compounds from CA seeds. Multiple reaction monitoring (MRM) based quantification method was developed with MRM optimizer software for MS1 and MS2 mass analysis. The method was optimized on precursor ions and product ions with the ion ratio of each compound. The calibration curves of seven bioactive analytes showed excellent linearity (r2 ≥ 0.99). The quantitation results found precise (RSD, < 10 %) with good recoveries (84.58 to 101.42%). The matrix effect and extraction recoveries were found within the range (91.66 to 102.11%) for the CA seeds. This is the first MS/MS-based methodology applied to quantifying seven antidiabetic compounds in CA seeds and its extract for quality control purposes.1 aGirme, Aboli1 aSaste, Ganesh1 aChinchansure, Ashish1 aJoshi, Swati1 aKunkulol, Rahul1 aHingorani, Lal1 aPatwardhan, Bhushan uhttps://library.ncl.res.in/content/simultaneous-determination-anthraquinone-flavonoids-and-phenolic-antidiabetic-compounds01893nas a2200301 4500008004100000022001400041245016000055210006900215260000900284300001100293490000800304520086400312653001701176653002701193653002101220653001101241653003101252100001701283700002101300700002301321700001801344700001601362700002201378700002301400700001901423700001801442856013101460 2020 eng d a0926-337300aSpectroscopic evidences for the size dependent generation of pd species responsible for the low temperature CO oxidation activity on Pd-SBA-15 nanocatalyst0 aSpectroscopic evidences for the size dependent generation of pd  cSEP  a1189340 v2723 a

A comprehensive size dependent CO oxidation activity has been demonstrated for Pd-SBA-15 catalysts with Pd NPs of varying sizes such as 1-2, 4-6 and 7-10 nm. Pd-SBA-15 catalyst with smallest sized NPs (Pd-S-N) has been synthesized by modified deposition precipitation method recently developed in our lab. Pd-S-N catalyst (reduced at 400 degrees C) demonstrated CO oxidation activity with lower light off temperature (50 degrees C), clearly one of the best reported for a Pd-silica system. A detailed XPS and in-situ DRIFTS analyses further supported by XAS and DFT calculations reveal the presence of easily decomposable highvalent Pd-oxide on co-ordinatively unsaturated Pd sites (Pdcus). Weak binding of CO on Pdcus sites in small Pd NPs leaving sites for oxygen activation is attributed to the low temperature activity of Pd-S-N for CO oxidation.

10aCO oxidation10ahigh-valent Pd species10aPd nanoparticles10aSBA-1510aunder coordinated Pd atoms1 aSoni, Yogita1 aPradhan, Sumanta1 aBamnia, Mahesh, K.1 aYadav, A., K.1 aJha, S., N.1 aBhattacharyya, D.1 aKhan, Tuhin, Suvra1 aHaider, M., A.1 aVinod, C., P. uhttps://library.ncl.res.in/content/spectroscopic-evidences-size-dependent-generation-pd-species-responsible-low-temperature-co02434nas a2200277 4500008004100000022001400041245011600055210006900171260000900240300001200249490000800261520151600269653001501785653001501800653002801815653002701843653001501870653002001885100001801905700002101923700001701944700001701961700002201978700002402000856013202024 2020 eng d a0141-813000aStructural and physical analysis of underwater silk from housing nest composites of a tropical chironomid midge0 aStructural and physical analysis of underwater silk from housing cNOV  a934-9420 v1633 a

Chironomids are an abundant group of aquatic silk spinning insects. They offer a unique opportunity of silk harvestation without killing them; however, they remained underappreciated models in silk research. Here, we investigate the structural and biomechanical characteristics of silk from the midge, Chironomus ramosus. A combination of microscopic (SEM), spectroscopic (CD and IR), structural (XRD), thermal (DSC and TGA) and mechanical measurement tools and techniques were employed to gain critical insights on midge silk. Maximum yield of silk was obtained from Chironomus in similar to 2.5 h, the shortest time reported among insects. The network of water-insoluble silk fibres possessed the smallest diameter of 110 +/- 35 nm, known for any insect silk, qualifying its superiority in fibre fineness. We demonstrate a cruelty-free silk extraction method in contrast to the conventional violent techniques. Structural characterization indicated coexistence of various secondary conformations, beta sheets being predominant. We compare and contrast these features to well-characterized caddisfly and silk-worm silks and highlight the uniqueness in midge silk that render mechanical stability and potentially contribute to its multi-functionalization. We thus propose Chironomus as an emerging candidate of water-borne silk, especially in the context of the `Peace silk' industry, aiming to develop non-violent methods for silk harvestation from animals. (C) 2020 Elsevier B.V. All rights reserved.

10abiopolymer10aChironomus10aCommercial applications10aHousing nest composite10aPeace silk10aUnderwater silk1 aThorat, Leena1 aJoseph, Emmanuel1 aNisal, Anuya1 aShukla, Ekta1 aRaviKumar, Ameeta1 aNath, Bimalendu, B. uhttps://library.ncl.res.in/content/structural-and-physical-analysis-underwater-silk-housing-nest-composites-tropical-chironomid01232nas a2200169 4500008004100000022001400041245012300055210006900178260000900247300001600256490000700272520058700279100001700866700002600883700002400909856012900933 2020 eng d a1463-907600aSurface functionalization: an efficient alternative for promoting the catalytic activity of closed shell gold clusters0 aSurface functionalization an efficient alternative for promoting cOCT  a23351-233590 v223 a

{Surface functionalization through adsorption of ligands or non-metal atoms is considered to be an interesting and viable approach for tuning the physicochemical properties of gold clusters. Highly stable and magic numbered electronic configurations of thiolate protected gold clusters such as Au-25(SR)(18), Au-38(SR)(24)etc. with intriguing properties are the direct manifestation of the rich chemistry of the Au-S interface. The present investigation discerns the CO oxidation activity of structurally well characterized sulphur functionalized gold cluster anions AumS4-

1 aJoshi, Krati1 aKrishnamurty, Sailaja1 aDar, Manzoor, Ahmad uhttps://library.ncl.res.in/content/surface-functionalization-efficient-alternative-promoting-catalytic-activity-closed-shell02068nas a2200253 4500008004100000022001400041245018500055210006900240260000900309300001100318490000800329520112700337100002801464700001701492700002001509700002801529700002001557700002601577700001801603700002101621700002501642700001701667856013001684 2020 eng d a1874-391900aSWATH-MS based quantitative proteomics analysis to evaluate the antileishmanial effect of Commiphora wightii- Guggul and Amphotericin B on a clinical isolate of Leishmania donovani0 aSWATHMS based quantitative proteomics analysis to evaluate the a cJUL  a1038000 v2233 a

The present study provides comprehensive proteomics analyses of the response of L. donovani parasite to pharamacological stress in vitro. Identification of differentially expressed proteins with associated molecular functions and metabolic pathways, clearly provides an insight into the potential mechanism of the antileishmanial effects as well as a comparative response of the parasite to Guggul and AmB. Treatment of parasite with AmB results in an enhanced modulatory mechanism to counteract the drug induced stress which may have contributed to relapse. In the case of Guggul treatment, an effective antipromastigote activity was observed, which is being reported for the first time. Thus, a deeper understanding of the molecular pathways in the Leishmania parasite in response to pharmacological stress would help in designing novel and effective strategies in targeting the key molecules essential for parasite survival. It will also help in screening of new lead molecules targeting these vital pathways which could be used as an adjunct therapy along with the limited repertoire of antileishmanial drugs.

1 aBar Routaray, Chinmayee1 aBhor, Renuka1 aBai, Shakuntala1 aKadam, Nitin, Suryakant1 aJagtap, Surabhi1 aDoshi, Pooja, Jignesh1 aSundar, Shyam1 aSawant, Sangeeta1 aKulkarni, Mahesh, J.1 aPai, Kalpana uhttps://library.ncl.res.in/content/swath-ms-based-quantitative-proteomics-analysis-evaluate-antileishmanial-effect-commiphora01923nas a2200241 4500008004100000022001400041245015200055210006900207260000900276300001400285490000700299520108500306653001301391653002501404653001301429653002401442653001401466100001901480700002801499700002301527700000501550856012601555 2020 eng d a2470-155600aSynthesis and characterization of supported heteropoly acid: efficient solid acid catalyst for glycerol esterification to produce biofuel additives0 aSynthesis and characterization of supported heteropoly acid effi cNOV  a1157-11650 v503 a

Esterification of glycerol with acetic acid has been studied with different solid acid catalysts, prepared by impregnating phospotungustic, silicotungstic, and phosphomolybdic acids on polymeric material polyvinylpyrrolidone. These results were compared with commercially available montmorillonite KSFO catalyst showed that PVP-DTP gave higher selectivity to di- and triacetins. This study was mainly focused on increasing the selectivity toward triacetin which is an excellent alternative to fossil fuel based fuel additives. The detail characterization was done for the PVP-DTP catalyst which gave complete conversion of glycerol and maximum selectivity of 34% toward triacetin. Complete conversion of glycerol was achieved at 110 degrees C within 6 h of reaction time. The characterization of the catalyst was performed by SEM/EDX, X-ray diffraction, thermogravimetic techniques, and FT-IR analysis.TPD-NH3 characterization showed that DTP supported on PVP increases the catalyst acidity of PVP. The highest acidity of PVP-DTP is also confirmed using NH3-TPD analysis.

10aGlycerol10aphospostugustic acid10apovidone10asolid acid catalyst10atriacetin1 aMagar, Subhash1 aMohanraj, Govindraj, T.1 aJana, Sumit, Kumar1 a uhttps://library.ncl.res.in/content/synthesis-and-characterization-supported-heteropoly-acid-efficient-solid-acid-catalyst02239nas a2200253 4500008004100000022001400041245014700055210006900202260000800271300001100279490000900290520132800299653003101627653002601658653001801684653002801702100002201730700001801752700001901770700002201789700001901811700002401830856013101854 2020 eng d a0022-286000aSynthesis, characterisation, Hirshfeld surface and in vitro cytotoxicity evaluation of new N-aryl-N `-Alkoxycarbonyl thiocarbamide derivatives0 aSynthesis characterisation Hirshfeld surface and in vitro cytoto cFEB a1272690 v12023 a

Four new compounds N-(4-nitrophenyl)-N'-(isobutoxycarbonyl) thiocarbamide (1), N-(2, 4-nitrophenyl)-N'-(isobutoxycarbonyl) thiocarbamide (2), N-(4-nitrophenyl)-N'-(ethoxycarbonyl) thiocarbamide (3) and N-(2-Chloro- 4-nitrophenyl)-N'-(ethoxycarbonyl) thiocarbamide (4) were prepared and their structures confirmed by using various spectroscopic (FT-IR, UV-Visible, H-1 and C-13 NMR) and single crystal X-ray studies of 1 and 3. The presence of intramolecular (N-H center dot center dot center dot O=C) hydrogen bond in the crystal structure of both the compounds causes planarity of carbonyl thiocarbamide unit and trans orientation of C=O and C=S group. The intermolecular contacts (C-H center dot center dot center dot S, C-H center dot center dot center dot O and N-H center dot center dot center dot S) present in crystal structures have been examined by Hirshfeld surface analysis and their associated 2D fingerprint plots. All the compounds were assessed for their in vitro cytotoxic properties against a panel of seven human cancer cells such as cervical carcinoma (2008, C13*), colorectal (HT29 and HCT116) and ovarian carcinoma (A2780, A2780/CP and IGROV-1). Among them, compounds 2 and 4 exhibited better activity than 1 and 3 against all the cell lines tested. (C) 2019 Elsevier B.V. All rights reserved.

10aHirshfeld surface analysis10aIn vitro cytotoxicity10aThiocarbamide10aX-ray crystal structure1 aPandey, Sunil, K.1 aPratap, Seema1 aRai, Sunil, K.1 aMarverti, Gaetano1 aKaur, Manpreet1 aJasinski, Jerry, P. uhttps://library.ncl.res.in/content/synthesis-characterisation-hirshfeld-surface-and-vitro-cytotoxicity-evaluation-new-n-aryl-n01740nas a2200229 4500008004100000022001400041245015300055210006900208260000800277300001100285490000700296520087400303653003301177653002101210653002301231653004201254653001301296100002901309700002101338700002101359856013001380 2020 eng d a0040-403900aSynthesis of diverse nitrogen fused polycyclic dihydroisoquinoline (DHIQ) derivatives via GBB-based cyclic iminium induced double-annulation cascade0 aSynthesis of diverse nitrogen fused polycyclic dihydroisoquinoli cJUL a1521010 v613 a

A highly efficient and distinct Bronsted acid-mediated unprecedented cyclic iminium induced double annulation cascade (DAC) protocol for the synthesis of novel dihydroindazolo[30,20:2,3]imidazo[5,1-a]isoquinolinamines has been achieved through the three-component Groebke-Blackburn-Bienayme reaction. The transformation is based on sequential cascade processes involving imine formation followed by an intramolecular nucleophilic substitution to generate a highly reactive cyclic iminium species, which would undergo a rapid [4 + 1] formal cycloaddition steps in one-pot fashion. This strategy provides novel skeletally diverse complex nitrogen fused polycyclic DHIQ derivatives by employing readily available substrates and a simple procedure, which would render this method potentially useful in organic synthesis. (C) 2020 Elsevier Ltd. All rights reserved.

10adiversity-oriented synthesis10aExcellent yields10aGBB-based approach10aNovel polycyclic N-fused architecture10aScalable1 aBalwe, Sandip, Gangadhar1 aVagh, Sandip, S.1 aJeong, Yeon, Tae uhttps://library.ncl.res.in/content/synthesis-diverse-nitrogen-fused-polycyclic-dihydroisoquinoline-dhiq-derivatives-gbb-based02016nas a2200253 4500008004100000022001400041245019700055210006900252260000800321300001100329490000800340520110300348653001801451653001901469653001201488653000901500653002501509653001601534100001301550700002001563700002001583700003101603856012801634 2020 eng d a0921-510700aTemperature assisted reorganization of silver nanoparticles in free-standing, flexible chitosan functionalized reduced graphene oxide thick films: A potential SERS probe for folic acid sensing0 aTemperature assisted reorganization of silver nanoparticles in f cFEB a1144540 v2523 a

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

10aFree-standing10agraphene oxide10asensing10aSERS10asilver nanoparticles10aThick-films1 aAsha, S.1 aAnanth, Nimrodh1 aJose, Sujin, P.1 aRajan, Michael, Anjello Jo uhttps://library.ncl.res.in/content/temperature-assisted-reorganization-silver-nanoparticles-free-standing-flexible-chitosan02549nas a2200265 4500008004100000022001400041245016000055210006900215260000800284300001400292490000700306520161000313653003601923653001201959653001001971653003101981653001602012100002002028700001802048700002602066700002402092700001802116700001902134856013002153 2020 eng d a0971-589400aTIAs pathway genes and associated miRNA identification in Vinca minor: supporting aspidosperma and eburnamine alkaloids linkage via transcriptomic analysis0 aTIAs pathway genes and associated miRNA identification in Vinca  cAUG a1695-17110 v263 a

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

10ade novo transcriptomic analysis10aEST-SSR10amiRNA10aTerpenoid indole alkaloids10aVinca minor1 aVerma, Priyanka1 aSingh, Noopur1 aKhan, Shamshad, Ahmad1 aMathur, Ajay, Kumar1 aSharma, Ashok1 aJamal, Farrukh uhttps://library.ncl.res.in/content/tias-pathway-genes-and-associated-mirna-identification-vinca-minor-supporting-aspidosperma01987nas a2200253 4500008004100000022001400041245010100055210006900156260000900225300001400234490000600248520113200254653001001386653003101396653002301427653002301450653001901473653002401492100002401516700002401540700002101564700002001585856012801605 2020 eng d a2365-654900aTiO2 nanoparticles decorated on BiOCl flakes with enhanced visible light photocatalytic activity0 aTiO2 nanoparticles decorated on BiOCl flakes with enhanced visib cFEB  a2618-26260 v53 a

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

10aBiOCl10aHydoxyl radical evaluation10ap-n heterojunction10aphenol degradation10aPhotocatalysis10aTiO2 nanocomposites1 aShinde, Deepali, S.1 aBhange, Pallavi, D.1 aJha, Ratnesh, K.1 aBhange, Deu, S. uhttps://library.ncl.res.in/content/tio2-nanoparticles-decorated-biocl-flakes-enhanced-visible-light-photocatalytic-activity02097nas a2200217 4500008004100000022001400041245013700055210006900192260000800261300001400269490000700283520130600290100002201596700002001618700002401638700001801662700001601680700002601696700002601722856013101748 2020 eng d a0305-104800aTransient alpha-helix in the N-terminal RNA recognition motif of polypyrimidine tract binding protein senses RNA secondary structure0 aTransient alphahelix in the Nterminal RNA recognition motif of p cMAY a4521-45370 v483 a

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

1 aMaris, Christophe1 aJayne, Sandrine1 aDamberger, Fred, F.1 aBeusch, Irene1 aDorn, Georg1 aRavindranathan, Sapna1 aAllain, Frederic, H-T uhttps://library.ncl.res.in/content/transient-alpha-helix-n-terminal-rna-recognition-motif-polypyrimidine-tract-binding-protein02326nas a2200313 4500008004100000022001400041245011700055210006900172260000800241300001200249490000600261520128000267653002301547653001701570653001701587653002401604653002201628653002801650100001601678700003401694700001501728700001801743700001801761700002401779700002401803700003101827700002701858856012701885 2020 eng d a2365-709X00aUltrahigh sensitive carbon-based conducting rubbers for flexible and wearable human-machine intelligence sensing0 aUltrahigh sensitive carbonbased conducting rubbers for flexible  cDEC a20006900 v53 a

The wearable strain sensors with multifunctional applications can fuel the rapid development of human-machine intelligence for various sectors like healthcare, soft robotics, and Internet of Things applications. However, achieving the low-cost and mass production of wearable sensors with ultra-high performance remains challenging. Herein, a simple, cost-effective, and scalable methodology to fabricate the flexible and highly sensitive strain sensors using carbon black and latex rubbers (LR) is presented. The LR-based strain sensor demonstrates excellent flexibility, fast response (approximate to 600 ms), ultra-high sensitivity (maximum gauge factor of 1.2 x 10(4) at 250% strain), and long-term stability over 1000 cycles. The LR-based strain sensors are sensitive to monitor subtle human motions such as heart pulse rate and voice recognition along with high-strain human joint operations. Additionally, the sensing mechanism of LR bands is investigated by surface topographies and electromechanical response under various strained/unstrained conditions. Further, a smart glove-based sensor module made of LR strain bands with an Arduino reader for the human-machine intelligence device for non-verbal communication in military applications is demonstrated.

10aconducting rubbers10agauge factor10ahuman&\#821110amachine interfacing10avoice recognition10awearable strain sensors1 aAjeev, Arya1 aJavaregowda, Bharathkumar, H.1 aAli, Ashik1 aModak, Mrudul1 aPatil, Shreya1 aKhatua, Saumyakanta1 aRamadoss, Marimuthu1 aKothavade, Premkumar, Anil1 aArulraj, Arul, Kashmir uhttps://library.ncl.res.in/content/ultrahigh-sensitive-carbon-based-conducting-rubbers-flexible-and-wearable-human-machine02809nas a2200229 4500008004100000245015400041210006900195260000900264300001600273490000700289520194400296100002402240700002202264700002702286700002202313700002302335700002102358700002402379700002502403700002202428856012902450 2020 eng d00aUncovering the origin of enhanced field emission properties of rGO-MnO(2)heterostructures: a synergistic experimental and computational investigation0 aUncovering the origin of enhanced field emission properties of r cJUL  a25988-259980 v103 a

The unique structural merits of heterostructured nanomaterials including the electronic interaction, interfacial bonding and synergistic effects make them attractive for fabricating highly efficient optoelectronic devices. Herein, we report the synthesis of MnO(2)nanorods and a rGO/MnO(2)nano-heterostructure using low-cost hydrothermal and modified Hummers' methods, respectively. Detailed characterization and confirmation of the structural and morphological properties are doneviaX-ray Diffraction (XRD), Field Emission Scanning Electron Microscopy (FESEM) and Transmission Electron Microscopy (TEM). Compared to the isolated MnO(2)nanorods, the rGO/MnO(2)nano-heterostructure exhibits impressive field emission (FE) performance in terms of the low turn-on field of 1.4 V mu m(-1)for an emission current density of 10 mu A cm(-2)and a high current density of 600 mu A cm(-2)at a relatively very low applied electric field of 3.1 V mu m(-1). The isolated MnO(2)nanorods display a high turn-on field of 7.1 for an emission current density of 10 mu A cm(-2)and a low current density of 221 mu A cm(-2)at an applied field of 8.1 V mu m(-1). Besides the superior FE characteristics of the rGO/MnO(2)nano-heterostructure, the emission current remains quite stable over the continuous 2 h period of measurement. The improvement of the FE characteristics of the rGO/MnO(2)nano-heterostructure can be ascribed to the nanometric features and the lower work function (6.01 and 6.12 eV for the rGO with 8% and 16% oxygen content) compared to the isolated alpha-MnO2(100) surface (phi= 7.22 eV) as predicted from complementary first-principles electronic structure calculations based on density functional theory (DFT) methods. These results suggest that an appropriate coupling of rGO with MnO(2)nanorods would have a synergistic effect of lowering the electronic work function, resulting in a beneficial tuning of the FE characteristics.

1 aRondiya, Sachin, R.1 aKarbhal, Indrapal1 aJadhav, Chandradip, D.1 aNasane, Mamta, P.1 aDavies, Thomas, E.1 aShelke, Manjusha1 aJadkar, Sandesh, R.1 aChavan, Padmakar, G.1 aDzade, Nelson, Y. uhttps://library.ncl.res.in/content/uncovering-origin-enhanced-field-emission-properties-rgo-mno2heterostructures-synergistic02322nas a2200241 4500008004100000022001400041245014000055210006900195260000800264300001100272490000700283520143600290653002701726653002901753653002001782653002301802653002701825653002701852100001801879700002801897700002701925856012801952 2020 eng d a1773-224700aUnderstanding fundamentals of hepatocellular carcinoma to design next-generation chitosan nano-formulations: Beyond chemotherapy stride0 aUnderstanding fundamentals of hepatocellular carcinoma to design cAUG a1017230 v583 a

Hepatocellular carcinoma (HCC) is the deadliest form of liver cancer. Clinically, the main strategies currently being used for the treatment of HCC are surgery, radiotherapy and chemotherapy. Conventional chemotherapy has major drawbacks such as poor bioavailability, high-dose requirements, adverse side effects, low therapeutic indices, and non-specific drug targeting. Therefore, targeted drug delivery systems are fast becoming new tools for the selective killing of cancer cells. Chitosan (CS) is a biodegradable, biocompatible, cationic and natural biopolymer that also exhibits anti-cancer property which is now being explored as a promising candidate for targeted drug delivery. This review outlines an overview of the causative agents, microenvironment, pathophysiology, surface-biomarkers and physiological barriers of HCC. Then, the cellular internalization pathways of nanomedicine and the important physicochemical properties of delivery agents are discussed. The benefits of targeted therapy over conventional therapy with regard to HCC are also discussed. The main objective of this review was to summarize the current knowledge in the field of chitosan-based drug delivery for the management of HCC along with its limitations in a comprehensive and systematic way. This review attempts to provide a holistic roadmap for designing the next-generation chitosan-based drug delivery systems for HCC management.

10achitosan nanoparticles10aHepatocellular carcinoma10aPathophysiology10aSurface biomarkers10aTargeted Drug Delivery10aTumor microenvironment1 aJaiswal, Neha1 aChaudhari, Ravindra, D.1 aChaudhari, Bhushan, P. uhttps://library.ncl.res.in/content/understanding-fundamentals-hepatocellular-carcinoma-design-next-generation-chitosan-nano02295nas a2200169 4500008004100000022001400041245010700055210006900162260000900231300001400240490000700254520167800261100002001939700001801959700001801977856013001995 2020 eng d a1144-054600aUnderstanding the ML black box with simple descriptors to predict cluster-adsorbate interaction energy0 aUnderstanding the ML black box with simple descriptors to predic cMAY  a8545-85530 v443 a

Density functional theory (DFT) is currently one of the most accurate and yet practical theories used to gain insight into the properties of materials. Although successful, the computational cost required is still the main hurdle even today. In recent years, there has been a trend of combining DFT with Machine Learning (ML) to reduce the computational cost without compromising accuracy. Finding the right set of descriptors that are simple to understand in terms of giving insights about the problem at hand, lies at the heart of any ML problem. In this work, we demonstrate the use of nearest neighbor (NN) distances as descriptors to predict the interaction energy between the cluster and an adsorbate. The model is trained over a size range of 5 to 75 atom clusters. When the training and testing is carried out on mutually exclusive cluster sizes, the mean absolute error (MAE) in predicting the interaction energy is similar to 0.24 eV. MAE reduces to 0.1 eV when testing and training sets include information from the complete range. Furthermore, when the same set of descriptors are tested over individual sizes, the MAE further reduces to similar to 0.05 eV. We bring out the correlation between dispersion in the nearest neighbor distances and variation in MAE for individual sizes. Our detailed and extensive DFT calculations provide a rationale as to why nearest neighbor distances work so well. Finally, we also demonstrate the transferability of the ML model by applying the same recipe of descriptors to systems of different elements like (Na-10), bimetallic systems (Al6Ga6, Li4Sn6, and Au40Cu40) and also different adsorbates (N-2, O-2, and CO).

1 aAgarwal, Sheena1 aMehta, Shweta1 aJoshi, Kavita uhttps://library.ncl.res.in/content/understanding-ml-black-box-simple-descriptors-predict-cluster-adsorbate-interaction-energy01736nas a2200241 4500008004100000022001400041245010800055210006900163260000800232300001100240490000800251520094200259653001701201653001501218653001301233653002101246653001301267653001901280100001901299700002601318700002401344856012601368 2020 eng d a1385-894700aUnderstanding the role of solvent properties on reaction kinetics for synthesis of silica nanoparticles0 aUnderstanding the role of solvent properties on reaction kinetic cOCT a1254270 v3983 a

The effect of various alcoholic solvents and their compositions on the size of silica particles synthesized through hydrolysis and condensation of tetraethyl orthosilicate (TEOS) is studied. The alcohols used are: Methanol, ethanol, propanol, i-propanol, butanol, pentanol, hexanol, octanol, decanol and do-decanol. Ethanol was used as a co-solvent with the higher molecular weight alcohols. Silica particles of size between 100 nm and 2 mu m were obtained by changing solvent composition. Concentrations of total soluble silica and silicic acid were measured and used for exploring the kinetics of hydrolysis and condensation reactions. Polarity, steric hindrance and viscosity of solvent were found to have a strong influence on the rate constants and size of silica nanoparticles. An attempt is made to correlate both final particle size and rate constants with dielectric constant, Wiener index and viscosity of the solvent.

10acondensation10aHydrolysis10akinetics10asilica particles10aSolvents10aStober process1 aBari, Atul, H.1 aJundale, Rajashri, B.1 aKulkarni, Amol., A. uhttps://library.ncl.res.in/content/understanding-role-solvent-properties-reaction-kinetics-synthesis-silica-nanoparticles02701nas a2200265 4500008004100000022001400041245016000055210006900215260000800284300001100292490000800303520172400311653003002035653003202065653001702097653001902114653003702133100002202170700001902192700001702211700002502228700002602253700002702279856012902306 2020 eng d a0304-389400aUnravelling the distinct surface interactions of modified graphene nanostructures with methylene blue dye through experimental and computational approaches0 aUnravelling the distinct surface interactions of modified graphe cAPR a1217550 v3883 a

Nanoscopic modifications leading to multi-dimensional graphene structures are known to significantly influence their candidature for several applications including catalysis, energy storage, molecular sensing and most significantly adsorption and remediation of harmful materials such as dyes. The present work attempts to identify the key trajectories that connect the structural qualification with a chosen application, viz., the interactive forces in dye remediation. Various physico-chemically Modified Graphene Nanostructures (MGNs) such as 2 dimensional Graphite, Graphene Oxide (GO), reduced GO (rGO), holey rGO, and 3 dimensional GO hydrogel and Holey GO hydrogel are chosen and synthesised herein. These represent varieties of physicochemical features with respect to their dimensionality, surface features such as oxygen functionality, nanoscopic holes etc., that contribute to their characteristic overall surface interactions. Methylene Blue (MB), a popular industrial effluent posing major environmental concern is chosen to be a probe adsorbate in this case study. An exclusive real time in-situ UV visible spectral experiment provides the revealing reasons behind the outstanding performance of 2D GO sheets with an adsorption capacity of greater than 92 % even at high MB concentrations (>2000 ppm). A complex dependency of various factors such as surface oxygen, morphology, nanoporosity etc. on the unique overall interaction with an adsorbent such as MB by all these adsorbates is demonstrated using experimental and DFT based computational studies. Electrostatics and hydrogen bonding are understood to be the two dominant forces driving the MB adsorption on the best performing GO here.

10aDensity functional theory10aIn-situ UV-vis spectroscopy10aInteractions10aMethylene blue10aModified Graphene Nanostructures1 aManappadan, Zinoy1 aKumar, Shubham1 aJoshi, Krati1 aGovindaraja, Thillai1 aKrishnamurty, Sailaja1 aSelvaraj, Kaliaperumal uhttps://library.ncl.res.in/content/unravelling-distinct-surface-interactions-modified-graphene-nanostructures-methylene-blue03405nas a2200229 4500008004100000022001400041245021300055210006900268260000800337300001600345490000800361520247400369100002702843700002202870700003402892700001802926700001902944700002602963700003002989700002703019856012903046 2020 eng d a1932-744700aUnsymmetrical squaraine dyes for dye-sensitized solar cells: position of the anchoring group controls the orientation and self-assembly of sensitizers on the TiO2 surface and modulates its flat band potential0 aUnsymmetrical squaraine dyes for dyesensitized solar cells posit cAUG a18436-184510 v1243 a

The position of the anchoring group is systematically changed with a series of alkyl group wrapped donor-acceptor-donor (D-A-D) based squaraine dyes, 4-SQ to 7-SQ, for the use in dye-sensitized solar cells (DSSCs). By this approach, the orientation as well as the self-assembly of the sensitizers can be controlled on the semiconducting TiO2 surface. All of the dyes functionalized with hydrophobic alkyl groups at sp(3)-C and N atoms of the indoline units that is far away from the TiO2 surface to control the self-assembly of dyes and passivate the surface. Controlling both the orientation as well as the self-assembly of the sensitizers synergistically enhances the V-oc of the DSSC device by imparting the dipole moment on the TiO2 surface and minimizing the interfacial charge recombination process of electrons from TiO2 to the oxidized electrolyte, respectively. Further, the presence of a meta-carboxyl group with respect to the N atom of the indoline donor unit for the dyes 4-SQ and 6-SQ makes them nonconductive for the charge injection process, which sheds light on the importance of through-space electron transfer for the device performance. Emission from the relaxed twisted state was found to be a deactivation pathway for 4-SQ on TiO2 and ZrO2, which revealed the importance of structural factors that promote spatial interaction between the sensitizer and metal oxide surface. Computational studies showed the systematic changes in the dipole moment for the sensitizers 4-SQ, 5-SQ, and 6-SQ upon anchoring to the TiO2 surface. The DSSC device performance varied with the position of anchoring groups in the sensitizers. The DSSC device performance of 5-SQ indicates a J(sc) value of 11.35 mA cm(-2), V-oc of 0.698 V, and ff of 77% corresponding to a power conversion efficiency of 6.08% in the presence of 3 equiv of coadsorbent CDCA, which is nearly 1.5 times higher than 6-SQ (V-oc 0.7 V, J(sc) 7.76 mA cm(-2), ff 76%, and eta 4.14%) and 2.6 times higher than 4-SQ (V-oc 0.658 V, J(sc) 4.42 mA cm(-2), ff 78%, and eta 2.28%). IPCE studies revealed the importance of orientation for the charge injection and self-assembly of dyes, as devices with 5-SQ and 6-SQ as a sensitizer showed 94 and 77% response at 578 nm, respectively, which correspond to the aggregated structure of the dye. Mott-Schottky and IPCE experiments showed that the orientation of sensitizers could modulate the V-oc due to the shift in the flat band potential of TiO2.

1 aSingh, Ambarish, Kumar1 aMaibam, Ashakiran1 aJavaregowda, Bharathkumar, H.1 aBisht, Rajesh1 aKudlu, Ashwath1 aKrishnamurty, Sailaja1 aKrishnamoorthy, Kothandam1 aNithyanandhan, Jayaraj uhttps://library.ncl.res.in/content/unsymmetrical-squaraine-dyes-dye-sensitized-solar-cells-position-anchoring-group-controls02885nas a2200277 4500008004100000022001400041245018000055210006900235260000800304300001200312490000800324520187500332653002102207653002402228653002702252653002102279653002402300100001702324700001802341700001802359700002202377700001802399700002602417700003202443856013202475 2020 eng d a0300-817700aUntargeted metabolomics reveals alterations in metabolites of lipid metabolism and immune pathways in the serum of rats after long-term oral administration of Amalaki rasayana0 aUntargeted metabolomics reveals alterations in metabolites of li cJAN a147-1600 v4633 a

Amalaki rasayana, a traditional preparation, is widely used by Ayurvedic physicians for the treatment of inflammatory conditions, cardiovascular diseases, and cancer. Metabolic alterations induced by Amalaki rasayana intervention are unknown. We investigated the modulations in serum metabolomic profiles in Wistar rats following long-term oral administration of Amalaki rasayana. Global metabolic profiling was performed of the serum of rats administered with either Amalaki rasayana (AR) or ghee + honey (GH) for 18 months and control animals which were left untreated. Amalaki rasayana components were confirmed from AR extract using HR-LCMS analysis. Significant reductions in prostaglandin J2, 11-dehydrothromboxane B2, and higher levels of reduced glutathione and glycitein metabolites were observed in the serum of AR administered rats compared to the control groups. Eleven different metabolites classified as phospholipids, glycerophospholipids, glucoside derivatives, organic acids, and glycosphingolipid were exclusively observed in the AR administered rats. Pathway analysis suggests that altered metabolites in AR administered rats are those associated with different biochemical pathways of arachidonic acid metabolism, fatty acid metabolism, leukotriene metabolism, G-protein mediated events, phospholipid metabolism, and the immune system. Targeted metabolomics confirmed the presence of gallic acid, ellagic acid, and arachidonic acid components in the AR extract. The known activities of these components can be correlated with the altered metabolic profile following long-term AR administration. AR also activates IGF1R-Akt-Foxo3 signaling axis in heart tissues of rats administered with AR. Our study identifies AR components that induce alterations in lipid metabolism and immune pathways in animals which consume AR for an extended period.

10aAmalaki rasayana10aAyurvedic medicines10aLeukotriene metabolism10aLipid metabolism10aMetabolic profiling1 aKumar, Vikas1 aKumar, Aneesh1 aJoseph, Vinod1 aDan, Vipin, Mohan1 aJaleel, Abdul1 aKumar, T., R. Santhos1 aKartha, Chandrasekharan, C. uhttps://library.ncl.res.in/content/untargeted-metabolomics-reveals-alterations-metabolites-lipid-metabolism-and-immune-pathways01520nas a2200277 4500008004100000022001400041245013900055210006900194260000900263300001400272490000900286520054500295653002900840653002500869653000900894653004000903653001900943653003200962100002400994700001801018700001801036700001901054700001701073700002001090856013201110 2020 eng d a1434-193X00aVinylogous michael addition of 3-alkylidene-2-oxindoles to beta,gamma-unsaturated alpha-keto esters by bifunctional cinchona alkaloids0 aVinylogous michael addition of 3alkylidene2oxindoles to betagamm cSEP  a5690-56940 v20203 a

A highly enantioselective vinylogous Michael addition of 3-alkylidene-2-oxindoles with beta,gamma-unsaturated alpha-keto esters using a bifunctional tertiary-amine thiourea catalyst is demontsrated. The challenging Michael reaction with the beta,gamma-unsaturated alpha-keto esters has been accomplished due to the synchronized H-bond guided dual activation of vinylogous nucleophile and electrophile by catalyst. The reaction afforded product in high yield while resulting in excellent stereocontrol (> 19:1E/Zand upto 99 %ee).

10a3-Alkylidene-2-oxindoles10aAsymmetric synthesis10abeta10agamma-Unsaturated alpha-keto esters10aMichael adduct10aVinylogous Michael addition1 aJaiswal, Manish, K.1 aKumar, Rajesh1 aSingh, Sanjay1 aJain, Shailija1 aVanka, Kumar1 aSingh, Ravi, P. uhttps://library.ncl.res.in/content/vinylogous-michael-addition-3-alkylidene-2-oxindoles-betagamma-unsaturated-alpha-keto-esters01840nas a2200181 4500008004100000022001400041245012700055210006900182260000800251300001600259490000700275520115400282100002201436700002801458700002401486700002001510856012801530 2021 eng d a1144-054600aAchiral and chiral NNN-pincer nickel complexes with oxazolinyl backbones: application in transfer hydrogenation of ketones0 aAchiral and chiral NNNpincer nickel complexes with oxazolinyl ba cJUL a11927-119360 v453 aWe describe the synthesis of new NNN-oxazolinyl-pincer nickel complexes and their application in the transfer hydrogenation of ketones. Achiral NNN-ligands, R `(2)-oxazolinyl-2-C6H4-NH-C(O)CH2NEt2 [((R ` 2-OxNNNEt2))-H; R' = H (3a), R ` = Me (3b)], and chiral ligands, (R)-R `-oxazolinyl-2-C6H4-NH-C(O)CH2NEt2 [(R)-((R `-OxNNNEt2))-H; R ` = Ph (3c), R ` = CH2Ph (3d), R ` = Pr-i (3e), R ` = (CH2Pr)-Pr-i (3f)], were efficiently synthesized. Treatment of these ligands with (DME)NiCl2 afforded the desired amido-pincer nickel complexes, ((R ` 2-OxNNNEt2))NiCl [R ` = H (4a), R ` = Me (4b)] and ((R `-OxNNNEt2))NiCl [R ` = Ph (4c), R ` = CH2Ph (4d), R ` = Pr-i (4e), R ` = (CH2Pr)-Pr-i (4f)], in good yields. All the ligand precursors and nickel complexes were thoroughly characterized by various analytical techniques. The molecular structures of 4a, 4d and 4f were established by X-ray crystallography. The developed nickel complexes were found to be efficient catalysts for the transfer hydrogenation of ketones using (PrOH)-Pr-i as a viable hydrogen source. Enantioselectivity in hydrogenation was not observed with the developed chiral catalysts.1 aJagtap, Rahul, A.1 aAnkade, Shidheshwar, B.1 aGonnade, Rajesh, G.1 aPunji, Benudhar uhttps://library.ncl.res.in/content/achiral-and-chiral-nnn-pincer-nickel-complexes-oxazolinyl-backbones-application-transfer02341nas a2200289 4500008004100000022001400041245008700055210006900142260000900211300001400220490000800234520143200242653002101674653001101695653001801706653003301724653001501757100002201772700002001794700002501814700001801839700001801857700002101875700002301896700001701919856011501936 2021 eng d a0011-389100aAntiviral drugs prioritization for COVID-19 management based on rational selection0 aAntiviral drugs prioritization for COVID19 management based on r cMAY  a1464-14700 v1203 a

The SARS-CoV-2 infection has resulted in COVID-19 pandemic worldwide. It has infected around 0.1 billion individuals and caused 2 million fatalities across the globe till mid-January 2021. Drug repurposing has been utilized as the most preferred therapeutic intervention for COVID-19 mitigation due to its necessity and feasibility. To prioritize therapeutic regime against COVID-19, we used 61 antiviral drugs and their combinations. Selected molecules were subjected to virtual screening against: (i) human angiotensin-converting enzyme 2 receptor binding domain (hACE-2) which serves as an anchor for virus attachment and entry, (ii) SARS-CoV-2 RNA dependent RNA polymerase (RdRp) responsible for viral RNA replication, and (iii) SARS-CoV-2 main protease (M-Pro) needed for viral polyprotein slab proteolytic processing. Based on docking score, pharmacodynamic and pharmacokinetic parameters, combinations of Daclatasvir, Elbasvir, Indinavir, Ledipasvir, Paritaprevir and Rilpivirine were analysed further. Our analysis suggested Sofosbuvir in combination with Ledipasvir and Daclatasvir as potential therapeutic agents for SARS-CoV-2. The combined score suggests that these combinations have superior anti-SARS-CoV-2 potential than Remdesivir and other investigational drugs. The present work provides a rationale-based approach to select drugs with possible anti-SARS-CoV-2 activity for further clinical evaluation.

10aDrug repurposing10ahACE-210amain protease10aRNA dependent RNA polymerase10aSARS-CoV-21 aJoshi, Rakesh, S.1 aGiri, Ashok, P.1 aKulkarni, Mahesh, J.1 aGupta, Mahesh1 aVerma, Savita1 aChaudhry, Dhruva1 aDeshmukh, Narendra1 aChugh, Anita uhttps://library.ncl.res.in/content/antiviral-drugs-prioritization-covid-19-management-based-rational-selection01090nas a2200193 4500008004100000245011900041210006900160260000800229520044200237100002500679700001800704700002100722700001700743700002100760700001900781700002000800700002300820856005300843 2021 eng d00aBibliometric analysis of emerging technologies in the field of computer science helping in ovarian cancer research0 aBibliometric analysis of emerging technologies in the field of c cAPR3 aThis study is carried out to provide an analysis of the literature available at the intersection of ovarian cancer and computing. A comprehensive search was conducted using Scopus database for English-language peer-reviewed articles. The study administers chronological, domain clustering and text analysis of the articles under consideration to provide high-level concept map composed of specific words and the connections between them.1 aKothari, Dr., Sonali1 aGupta, Anvita1 aAgrawal, Muskaan1 aJaggi, Kajal1 aGoswami, Adhiraj1 aKotecha, Ketan1 aDr, Karthikeyan1 aKhedkar, Vijayhsri uhttps://digitalcommons.unl.edu/libphilprac/5590/01831nas a2200265 4500008004100000022001400041245012300055210006900178260000900247300001100256490000800267520095300275653001501228653002201243653002601265653001901291653002201310100001901332700001901351700001801370700001601388700001801404700001801422856012501440 2021 eng d a0169-433200aBimetallic ZnFe2O4 nanosheets prepared via electrodeposition as binder-free high-performance supercapacitor electrodes0 aBimetallic ZnFe2O4 nanosheets prepared via electrodeposition as  cSEP  a1499510 v5593 a

Binder-free bimetallic ZnFe2O4 nanosheets were fabricated using one-step electrodeposition, which facilitated excellent electrical contact between the ZnFe2O4 nanosheets and the nickel substrate. The resultant numerous ZnFe2O4 nanosheets with their cubic spinel structures promote interfacial activity to enhance the electrochemical and Faradaic redox reactions. The metallic Zn and Fe from the cubic spinel structure of ZnFe2O4 attract electrolytic ions and increase the energy-storage capability, thus yielding a specific capacitance of 1093 F.g(-1) at a current rate of 1 A.g(-1). Different samples were prepared by varying the amount of metal salts in the electrodeposition solution while maintaining a constant ZnNt:FeSO4 concentration ratio of 1:2 for all cases. The optimal electrode composition, which yielded an energy density of 54 Wh.kg(-1) and a capacitance retention of 93.5% at N = 5000 charge-discharge cycles, was identified.

10aBimetallic10aElectrodeposition10aEnergy storage device10asupercapacitor10aZnFe2O4 nanosheet1 aJoshi, Bhavana1 aSamuel, Edmund1 aPark, Chanwoo1 aKim, Yongil1 aLee, Hae-Seok1 aYoon, Sam, S. uhttps://library.ncl.res.in/content/bimetallic-znfe2o4-nanosheets-prepared-electrodeposition-binder-free-high-performance02005nas a2200253 4500008004100000022001400041245016400055210006900219260000800288300001100296490000700307520111200314653001201426653002001438653002001458653002301478653001901501100001701520700001701537700002201554700002401576700002201600856012901622 2021 eng d a2352-152X00aBiomass-derived activated carbon material from native European deciduous trees as an inexpensive and sustainable energy material for supercapacitor application0 aBiomassderived activated carbon material from native European de cFEB a1021780 v343 a

Activated carbons are one of the possible electrode materials for supercapacitors (SCs), which are widely used in commercial applications. Herein, we reported the synthesis of a novel activated carbon derived through a cavitation process from the mixture of native European deciduous trees, Birch, Fagaceae, and Carpinus betulus (commonly known as European hornbeam), which was employed as the electrode material in SC. From the morphological and structural characterization, we observed that the prepared sample is a desirable carbon with good porosity and high specific surface area of about 614 m(2) g(-1). The electrochemical properties of the synthesized material were evaluated with a three-electrode configuration in 1.0 M H2SO4 electrolyte. It was found that in device mode, the carbon material delivers a specific capacitance of 24 F g(-1) at 0.25 A g(-1) with excellent cycling stability of over 10000 consecutive charge/discharge cycles. Thus, our studies demonstrate the facile synthesis of biomass-derived carbon and its application as a versatile electrode material for SC applications.

10aBiomass10aCarbon material10aDeciduous trees10aElectrode material10asupercapacitor1 aJain, Amrita1 aGhosh, Meena1 aKrajewski, Marcin1 aKurungot, Sreekumar1 aMichalska, Monika uhttps://library.ncl.res.in/content/biomass-derived-activated-carbon-material-native-european-deciduous-trees-inexpensive-and02082nas a2200361 4500008004100000022001400041245011700055210006900172260000800241300001100249490000900260520094000269653001501209653000901224653001701233653001801250653001501268653003001283100002101313700002201334700002001356700002401376700001901400700001701419700001801436700002301454700002801477700001301505700002301518700002201541700002701563856013001590 2021 eng d a1388-198100aChronic systemic exposure to IL6 leads to deregulation of glycolysis and fat accumulation in the zebrafish liver0 aChronic systemic exposure to IL6 leads to deregulation of glycol cMAY a1589050 v18663 a

Inflammation is a constant in Non-Alcoholic Fatty Liver Disease (NAFLD), although their relationship is unclear. In a transgenic zebrafish system with chronic systemic overexpression of human IL6 (IL6-OE) we show that inflammation can cause intra-hepatic accumulation of triglycerides. Transcriptomics and proteomics analysis of the IL6-OE liver revealed a deregulation of glycolysis/gluconeogenesis pathway, especially a striking down regulation of the glycolytic enzyme aldolase b. Metabolomics analysis by mass spectrometry showed accumulation of hexose monophosphates and their derivatives, which can act as precursors for triglyceride synthesis. Our results suggest that IL6-driven repression of glycolysis/gluconeogenesis, specifically aldolase b, may be a novel mechanism for fatty liver. This mechanism may be relevant for NAFLD in lean individuals, an emerging class of NAFLD prevalent more in Asian Indian populations.

10aAldolase b10aDHAP10aInflammation10aInterleukin 610aLean NAFLD10aNon-alcoholic fatty liver1 aSingh, Manoj, K.1 aJayarajan, Rijith1 aVarshney, Swati1 aUpadrasta, Sindhuri1 aSingh, Archana1 aYadav, Rajni1 aScaria, Vinod1 aSengupta, Shantanu1 aShanmugam, Dhanasekaran1 aShalimar1 aSivasubbu, Sridhar1 aGandotra, Sheetal1 aSachidanandan, Chetana uhttps://library.ncl.res.in/content/chronic-systemic-exposure-il6-leads-deregulation-glycolysis-and-fat-accumulation-zebrafish02119nas a2200289 4500008004100000245006900041210006800110260000800178300001400186490000600200520126400206653001101470653001401481653002101495653001501516653001401531653001301545100001801558700002201576700002201598700001901620700002601639700001801665700002301683700002301706856010001729 2021 eng d00aCo-decorated tellurium nanotubes for energy storage applications0 aCodecorated tellurium nanotubes for energy storage applications cSEP a9008-90210 v43 aThis paper explicitly discusses the synthesis of Co-decorated Te nanotubes (NTs) using Te NTs as the sacrificial template and the evaluation of their electrochemical performance. First, one-dimensional (1D) Te NTs were synthesized and characterized by spectroscopic and microscopic tools such as UV-visible spectroscopy, X-ray diffraction spectroscopy, X-ray photoelectron spectroscopy, field-emission scanning electron microscopy, high-resolution transmission electron microscopy, and energy-dispersive X-ray spectroscopy analyses. The as-prepared hexagonal Te NTs (h-Te NTs) possess diameters of about 35 +/- 5 nm and lengths of about 500 +/- 50 nm and were used for the synthesis of Co-decorated Te NTs. The 1D nanostructure with excellent conductivity enables the material to show excellent electrochemical performance. The asymmetric assembly of the CoTe-2//AC electrode material displayed a high specific capacitance of 147 F g(-1) (specific capacity, 162 C g(-1) at a current density of 2 A g(-1) in 4 M KOH electrolyte. In addition to that, the assembly of CoTe-2//AC achieved an excellent energy density of 51.1 W h kg(-1) at a power density of 2294 W kg(-1) and confirmed the as-synthesized Co-decorated Te NTs to be an excellent electrode material.10acobalt10ananotubes10apseudocapacitors10asurfactant10aTellurium10atemplate1 aBhol, Prangya1 aSwain, Swarnalata1 aJena, Satyaranjan1 aBhatte, Kushal1 aRout, Chandra, Sekhar1 aSaxena, Manav1 aJadhav, Arvind, H.1 aSamal, Akshaya, K. uhttps://library.ncl.res.in/content/co-decorated-tellurium-nanotubes-energy-storage-applications01513nas a2200241 4500008004100000022001400041245013700055210006900192260000800261300001100269490000800280520067900288653002300967653003400990653002101024653001401045653001201059100002001071700001701091700001801108700001801126856012701144 2021 eng d a0926-669000aColchicine induces tetraploids in in vitro cultures of digitalis lanata Ehrh.: enhanced production of biomass and cardiac glycosides0 aColchicine induces tetraploids in in vitro cultures of digitalis cDEC a1141670 v1743 aThis study describes a promising method for tetraploidy induction in the in vitro grown diploid shoots of the cardiotonic herb Digitalis lanata by colchicine treatment to obtain a higher content of the cardiac glycosides' digoxin and digitoxin. The best frequency of tetraploids (33 %) induction was observed with 0.5 % colchicine treatment for 8 h. The content of digoxin and digitoxin in the tetraploids increased by 1.61-fold and 1.73-fold over the control diploids respectively. The higher cardiotonic glycoside production in the tetraploid plants of D. lanata have the potential to satisfy the increasing demand of superior plant material for pharmaceutical industries.10aCardiac glycosides10aColchicine induced polyploidy10aDigitalis lanata10aDigitoxin10aDigoxin1 aBhusare, B., P.1 aJohn, C., K.1 aBhatt, V., P.1 aNikam, T., D. uhttps://library.ncl.res.in/content/colchicine-induces-tetraploids-vitro-cultures-digitalis-lanata-ehrh-enhanced-production02387nas a2200157 4500008004100000245011200041210006900153260000800222490000700230520177700237100002202014700001802036700002802054700002002082856012702102 2021 eng d00aConformational plasticity and dynamic interactions of the N-terminal domain of the chemokine receptor CXCR10 aConformational plasticity and dynamic interactions of the Ntermi cMAY0 v173 a

The dynamic interactions between G protein-coupled receptors (GPCRs) and their cognate protein partners are central to several cell signaling pathways. For example, the association of CXC chemokine receptor 1 (CXCR1) with its cognate chemokine, interleukin-8 (IL8 or CXCL8) initiates pathways leading to neutrophil-mediated immune responses. The N-terminal domain of chemokine receptors confers ligand selectivity, but unfortunately the conformational dynamics of this intrinsically disordered region remains unresolved. In this work, we have explored the interaction of CXCR1 with IL8 by microsecond time scale coarse-grain simulations, complemented by atomistic models and NMR chemical shift predictions. We show that the conformational plasticity of the apo-receptor N-terminal domain is restricted upon ligand binding, driving it to an open C-shaped conformation. Importantly, we corroborated the dynamic complex sampled in our simulations against chemical shift perturbations reported by previous NMR studies and show that the trends are similar. Our results indicate that chemical shift perturbation is often not a reporter of residue contacts in such dynamic associations. We believe our results represent a step forward in devising a strategy to understand intrinsically disordered regions in GPCRs and how they acquire functionally important conformational ensembles in dynamic protein-protein interfaces.

1 aKharche, Shalmali1 aJoshi, Manali1 aChattopadhyay, Amitabha1 aSengupta, Durba uhttps://library.ncl.res.in/content/conformational-plasticity-and-dynamic-interactions-n-terminal-domain-chemokine-receptor01170nas a2200181 4500008004100000022001400041245007300055210006900128260000800197490000700205520056700212100002100779700002300800700001900823700001900842700002500861856010200886 2021 eng d a1477-052000aConvenient semihydrogenation of azoarenes to hydrazoarenes using H-20 aConvenient semihydrogenation of azoarenes to hydrazoarenes using cJUN0 v193 a

The high atom-economical and eco-benign nature of hydrogenation reactions make them much more superior to conventional reduction and transfer hydrogenation. Herein, a convenient and highly selective hydrogenation reaction of azoarenes using molecular hydrogen to access diverse hydrazoarenes is reported. The present catalytic method is general and operationally simple, and it operates under exceedingly mild conditions (room temperature and 1 atm of hydrogen pressure). The reusability of catalysts used in this method is also successfully demonstrated.

1 aSahoo, Manoj, K.1 aSivakumar, Ganesan1 aJadhav, Sanjay1 aShaikh, Samrin1 aBalaraman, Ekambaram uhttps://library.ncl.res.in/content/convenient-semihydrogenation-azoarenes-hydrazoarenes-using-h-201728nas a2200229 4500008004100000245013600041210006900177260000800246300001600254490000700270520092300277100002201200700001801222700001801240700001601258700002001274700001901294700001801313700001801331700002301349856012601372 2021 eng d00aCopolymers of bipyridinium and metal (Zn & Ni) porphyrin derivatives; theoretical insights and electrochemical activity towards CO20 aCopolymers of bipyridinium and metal Zn Ni porphyrin derivatives cJUN a19844-198550 v113 aThis study reports the electropolymerization of novel keto functionalized octaethyl metal porphyrins (Zn2+ and Ni2+) in the presence of 4,4 `-bipyridine (4,4 `-bpy) as a bridging nucleophile. The polymer films were characterized by electrochemical, spectroscopic (UV-Vis, XPS, FT-IR and Raman spectroscopy) and imaging (AFM and SEM) techniques. The absorption and electronic spectra confirm the presence of both porphyrin and 4,4 `-bipyridine units in the film. The surface morphology reveals homogeneous film deposition with average roughness values of approx. 8 nm. The theoretical studies performed offered insights into the interplay of different metal centres (Zn2+ and Ni2+) and the keto functionality of the porphyrin unit in the formation of copolymer films. The electrochemical interaction of polymer films with CO2 suggests a reversible trap and release of CO2 with low energy barriers for both the polymers.1 aKochrekar, Sachin1 aKalekar, Ajit1 aMehta, Shweta1 aDamlin, Pia1 aSalomaki, Mikko1 aGranroth, Sari1 aMeltola, Niko1 aJoshi, Kavita1 aKvarnstrom, Carita uhttps://library.ncl.res.in/content/copolymers-bipyridinium-and-metal-zn-ni-porphyrin-derivatives-theoretical-insights-and01788nas a2200277 4500008004100000022001400041245012300055210006900178260001000247300001100257490000800268520085600276653001801132653002001150653002901170653002901199100001901228700001901247700001601266700001801282700001901300700002301319700001801342700001801360856013201378 2021 eng d a0169-433200aCotton fabric decorated with manganese oxide nanorods as a supercapacitive flexible electrode for wearable electronics0 aCotton fabric decorated with manganese oxide nanorods as a super cDEC 1 a1509680 v5683 aWe present the fabrication (using a hydrothermal process) and the properties of wearable fabrics decorated with ultrathin manganese oxide (MnO2) nanorods for supercapacitor applications. The superior mechanical durability of the supercapacitor was confirmed by cyclic voltammetry (CV) curves, which showed little change during 1000 bending cycles. The pseudocapacitive properties of the ultrathin MnO2 nanorods were confirmed by recording the CV curves at various scan rates. The galvanostatic charge-discharge curves at various specific currents confirmed the pseudocapacitance of MnO2. The ultrathin MnO2 nanorods exhibited a superior capacitance of 508 F.g(-1) and an energy density of 35.3 Wh.kg(-1). The MnO2 electrode with optimal properties demonstrated stable long-term cycling performance with 90% retention after 10,000 galvanostatic cycles.10aCotton fabric10aManganese oxide10aUltrafine nanostructures10aWearable supercapacitors1 aSamuel, Edmund1 aJoshi, Bhavana1 aKim, Yongil1 aPark, Chanwoo1 aAldalbahi, Ali1 aEl-Newehy, Mohamed1 aLee, Hae-Seok1 aYoon, Sam, S. uhttps://library.ncl.res.in/content/cotton-fabric-decorated-manganese-oxide-nanorods-supercapacitive-flexible-electrode-wearable01316nas a2200289 4500008004100000022001400041245008000055210006900135260000800204300001100212490000800223520045700231653001900688653000800707653001800715653002500733653001900758653002000777100001800797700002000815700001800835700002000853700001900873700001600892700001900908856009900927 2021 eng d a0926-337300aCuO as a reactive and reusable reagent for the hydrogenation of nitroarenes0 aCuO as a reactive and reusable reagent for the hydrogenation of  cNOV a1204170 v2973 a{Copper oxide (CuO) is used as a reusable solid reagent for hydrogenation of nitroarenes to aminoarenes. The use of CuO resulted in 100 % conversion of 2.9 mmol of nitrobenzene to aniline in 45 s at room temperature using hydrazine hydrate as the reducing agent. During the reaction, CuO is converted to inactive metallic Cu which can be regenerated to active CuO by thermal oxidation. DFT simulations indicated facile formation of oxygen vacancies (EO10aCopper vacancy10aCuO10aHydrogenation10aNitroarene reduction10aOxygen defects10aReactive solids1 aRajendran, K.1 aPandurangan, N.1 aVinod, C., P.1 aKhan, Tuhin, S.1 aGupta, Shelaka1 aHaider, Ali1 aJagadeesan, D. uhttps://library.ncl.res.in/content/cuo-reactive-and-reusable-reagent-hydrogenation-nitroarenes02619nas a2200193 4500008004100000022001400041245016300055210006900218260000900287300001600296490000700312520188200319100001702201700002002218700001902238700001802257700002102275856012902296 2021 eng d a1463-907600aDART: deep learning enabled topological interaction model for energy prediction of metal clusters and its application in identifying unique low energy isomers0 aDART deep learning enabled topological interaction model for ene cOCT  a21995-220030 v233 aRecently, machine learning (ML) has proven to yield fast and accurate predictions of chemical properties to accelerate the discovery of novel molecules and materials. The majority of the work is on organic molecules, and much more work needs to be done for inorganic molecules, especially clusters. In the present work, we introduce a simple topological atomic descriptor called TAD, which encodes chemical environment information of each atom in the cluster. TAD is a simple and interpretable descriptor where each value represents the atom count in three shells. We also introduce the DART deep learning enabled topological interaction model, which uses TAD as a feature vector to predict energies of metal clusters, in our case gallium clusters with sizes ranging from 31 to 70 atoms. The DART model is designed based on the principle that the energy is a function of atomic interactions and allows us to model these complex atomic interactions to predict the energy. We further introduce a new dataset called GNC_31-70, which comprises structures and DFT optimized energies of gallium clusters with sizes ranging from 31 to 70 atoms. We show how DART can be used to accelerate the process of identification of low energy structures without geometry optimization. Albeit using a topological descriptor, DART achieves a mean absolute error (MAE) of 3.59 kcal mol(-1) (0.15 eV) on the test set. We also show that our model can distinguish core and surface atoms in the Ga-70 cluster, which the model has never encountered earlier. Finally, we demonstrate the transferability of the DART model by predicting energies for about 6k unseen configurations picked up from molecular dynamics (MD) data for three cluster sizes (46, 57, and 60) within seconds. The DART model was able to reduce the load on DFT optimizations while identifying unique low energy structures from MD data.1 aModee, Rohit1 aAgarwal, Sheena1 aVerma, Ashwini1 aJoshi, Kavita1 aPriyakumar, Deva uhttps://library.ncl.res.in/content/dart-deep-learning-enabled-topological-interaction-model-energy-prediction-metal-clusters00974nas a2200193 4500008004100000022001400041245010700055210006900162260000900231300001600240490000700256520029500263100001700558700002400575700001800599700001700617700001900634856012700653 2021 eng d a1359-734500aDeoxygenative hydroboration of primary and secondary amides: a catalyst-free and solvent-free approach0 aDeoxygenative hydroboration of primary and secondary amides a ca cOCT  a10596-105990 v573 aIn contrast to the recent reports on catalytic hydroboration of amides to amines with pinacolborane (HBpin), a simple catalyst-free and solvent-free method for the hydroboration of a variety of amides has been realized. To get the mechanistic insights, DFT calculations have been performed.1 aKumar, Rohit1 aBisai, Milan, Kumar1 aJain, Shailja1 aVanka, Kumar1 aSen, Sakya, S. uhttps://library.ncl.res.in/content/deoxygenative-hydroboration-primary-and-secondary-amides-catalyst-free-and-solvent-free02661nas a2200253 4500008004100000022001400041245017300055210006900228260000800297300001100305490000800316520177800324653001502102653001202117653002502129653001202154100001702166700001702183700002002200700001902220700002102239700002202260856012502282 2021 eng d a0927-776500aDesign and synthesis of a new topical agent for halting blood loss rapidly: a multimodal chitosan-gelatin xerogel composite loaded with silica nanoparticles and calcium0 aDesign and synthesis of a new topical agent for halting blood lo cFEB a1114540 v1983 a

Uncontrolled hemorrhage often causes death during traumatic injuries and halting exsanguination topically is a challenge. Here, an efficient multimodal topical hemostat was developed by (i) ionically crosslinking chitosan and gelatin with sodium tripolyphosphate for (ii) fabricating a robust, highly porous xerogel by lyophilization having 86.7 % porosity, by micro-CT and large pores similar to 30 mu m by SEM (iii) incorporating 0.5 mg synthesized silica nanoparticles (SiNPs, 120 nm size, -22 mV charge) and 2.5 mM calcium in xemgel composite that was confirmed by FTIR analysis with peaks at 3372, 986 and 788 cm(-1), respectively. XPS analysis displayed the presence of SiNPs (Si2p peak for silicon) and calcium (Ca2p1, Ca2p3 transition peaks) in the composite. Interestingly, in silico percolation simulation for composite revealed interlinked 800 mu m long-conduits predicting excellent absorption capacity and validated experimentally (640 % of composite dry weight). The composite achieved >16-fold improved blood clotting in vitro than commercial Celox and Gauze through multimodal interaction of its components with RBCs and platelets. The composite displayed good platelet activation and thrombin generation activities. It displayed high compressive strength (2.45 MPa) and withstood pressure during application. Moreover, xerogel composite showed high biocompatibility. In vivo application of xerogel composite to lethal femoral artery injury in rats achieved hemostasis (2.5 min) significantly faster than commercial Celox (3.3 min) and Gauze (4.6 min) and was easily removed from the wound. The gamma irradiated composite was stable till 1.5 yr. Therefore, the xerogel composite has potential for application as a rapid topical hemostatic agent.

10aHemostatic10aPolymer10asilica nanoparticles10aXerogel1 aPatil, Gokul1 aTorris, Arun1 aSuresha, P., R.1 aJadhav, Sachin1 aBadiger, Manohar1 aGhormade, Vandana uhttps://library.ncl.res.in/content/design-and-synthesis-new-topical-agent-halting-blood-loss-rapidly-multimodal-chitosan02191nas a2200277 4500008004100000022001400041245012300055210006900178260000900247300001600256490000700272520125600279653001601535653002501551653002401576653003001600653002101630100002301651700002101674700002001695700000501715700001601720700002301736700002301759856013101782 2021 eng d a2155-543500aDirect oxidation of cyclohexane to adipic acid by a WFeCoO(OH) catalyst: role of bronsted acidity and oxygen vacancies0 aDirect oxidation of cyclohexane to adipic acid by a WFeCoOOH cat cSEP  a10754-107660 v113 aThis work reports the catalytic activity of the trimetallic mixed-metal oxyhydroxide WFeCoO(OH) for the direct oxidation of cyclohexane to adipic acid (AA) without the use of concentrated HNO3. WFeCoO(OH) displayed a 40% conversion of cyclohexane and a 67% selectivity to AA under relatively milder conditions of temperature (90 degrees C) and pressure (1 atm). Experimental evidence confirmed the presence of acidic, basic, and redox sites on WFeCoO(OH). The detailed investigation revealed that doping W in the Co-FeO(OH) matrix increased the amount of surface lattice oxygen (OS-L) and caused a significant surge in acidity (5.1 mmol/g). The calculated deprotonation energy of WFeCoO(OH) was 1434 kJ/mol, and the trend in acidity was WCoO(OH) < WFeCoO(OH) < FeCoO(OH) similar to CoO(OH). Energy calculations showed that WFeCoO(OH) had a high propensity to generate oxygen vacancies by the loss of either a water molecule or an oxygen atom (-132.2 or -140.9 kJ/mol, respectively). Basicity was generated due to the presence of conjugate pairs of the surface hydroxyl groups. The combined action of the trifunctional acidic, basic, and redox-active metal centers along with the oxygen vacancies was responsible for the enhanced catalytic performance.10aAdipic Acid10adeprotonation energy10ametal oxyhydroxides10amultifunctional catalysts10aoxygen vacancies1 aVernekar, Dnyanesh1 aDayyan, Mohammad1 aRatha, Satyajit1 a1 aHaider, Ali1 aKhan, Tuhin, Suvra1 aJagadeesan, Dinesh uhttps://library.ncl.res.in/content/direct-oxidation-cyclohexane-adipic-acid-wfecoooh-catalyst-role-bronsted-acidity-and-oxygen01902nas a2200193 4500008004100000022001400041245015300055210006900208260000900277300001400286490000800300520117000308100002401478700002001502700002101522700001801543700003001561856011701591 2021 eng d a1932-744700aDisordered but efficient: understanding the role of structure and composition of the Co-Pt alloy on the electrocatalytic methanol oxidation reaction0 aDisordered but efficient understanding the role of structure and cAPR  a7611-76240 v1253 a

A systematic investigation of the electrocatalytic Methanol Oxidation Reaction (MOR) was carried out using a model Co:Pt alloy system with different compositions and structural arrangements of the Co and Pt atoms. The structural variations with the same alloy composition included those with disordered arrangement of Co and Pt atoms in a face-centered cubic (fcc) lattice and ordered arrangements in face-centered tetragonal (fct) lattices. Our investigations clearly show that structures with disordered arrangements with Co:Pt atomic ratios near to 1:1 display better electrocatalytic efficiencies even when compared to pure Pt. These experimental findings were then rationalized by means of Density Functional Theory (DFT) calculations. Electronic level signatures in terms of charge transfer and relative shift in the peaks of the d band for surface metal atoms are proposed to be the reasons for the superior catalytic activity of a particular composition over the others. An increase in the number of inequivalent sites for methanol adsorption in disordered systems appears to result in better catalytic performance in comparison with ordered systems.

1 aDalavi, Shankar, B.1 aAgarwal, Sheena1 aDeshpande, Pooja1 aJoshi, Kavita1 aPrasad, Bhagavatula L. V. uhttps://library.ncl.res.in/content/disordered-efficient-understanding-role-structure-and-composition-co-pt-alloy02103nas a2200241 4500008004100000022001400041245013500055210006900190260000900259300001100268490000800279520129300287653001401580653001001594653001201604653001001616653002901626653001001655100002201665700002101687700002101708856013201729 2021 eng d a0378-381200aEffect of CaCl2 and ZnCl2 salts on isobaric vapor-liquid equilibrium in separation of the azeotropic mixture of ethanol plus water0 aEffect of CaCl2 and ZnCl2 salts on isobaric vaporliquid equilibr cJUN  a1130000 v5373 a

Present work analyzes potential of calcium chloride (CaCl2) and zinc chloride (ZaCl(2)) salts as entrainer for breaking the minimum boiling azeotrope of ethanol and water. Isobaric vapor-liquid equilibrium (VLE) data for the binary systems of water + ethanol and ternary system of water + ethanol + calcium chloride, and water + ethanol + zinc chloride were measured at a constant pressure of 94.5 kPa. The effect of salts on the relative volatility of ethanol to water as well as on the vapor phase mole fractions of ethanol were also studied experimentally. From the experimental results, it is observed that with addition of salts, the azeotropic point of the ethanol and water system can be eliminated. Salting out effects in case of calcium chloride was more than that zinc chloride salt. The results obtained in this work showed that calcium chloride could be a better choice for separation of the water + ethanol azeotrope. Electrolyte nonrandom two-liquid (eNRTL) model was used to correlate the experimental VLE data. The model prediction with the regressed parameters was found in well agreement with the experimental data. The experimental data obtained in this work was found thermodynamically consistent using van Ness test. (C) 2021 Elsevier B.V. All rights reserved.

10aAzeotrope10aeNRTL10aEthanol10asalts10aVapor-liquid equilibrium10aWater1 aGhuge, Pravin, D.1 aMali, Nilesh, A.1 aJoshi, Sunil, S. uhttps://library.ncl.res.in/content/effect-cacl2-and-zncl2-salts-isobaric-vapor-liquid-equilibrium-separation-azeotropic-mixture01973nas a2200157 4500008004100000022001400041245007500055210006900130260000800199490000700207520144800214100002101662700001301683700002001696856009901716 2021 eng d a1664-462X00aEffectors of root-knot nematodes: an arsenal for successful parasitism0 aEffectors of rootknot nematodes an arsenal for successful parasi cDEC0 v123 aRoot-knot nematodes (RKNs) are notorious plant-parasitic nematodes first recorded in 1855 in cucumber plants. They are microscopic, obligate endoparasites that cause severe losses in agriculture and horticulture. They evade plant immunity, hijack the plant cell cycle, and metabolism to modify healthy cells into giant cells (GCs) – RKN feeding sites. RKNs secrete various effector molecules which suppress the plant defence and tamper with plant cellular and molecular biology. These effectors originate mainly from sub-ventral and dorsal oesophageal glands. Recently, a few non-oesophageal gland secreted effectors have been discovered. Effectors are essential for the entry of RKNs in plants, subsequently formation and maintenance of the GCs during the parasitism. In the past two decades, advanced genomic and post-genomic techniques identified many effectors, out of which only a few are well characterized. In this review, we provide molecular and functional details of RKN effectors secreted during parasitism. We list the known effectors and pinpoint their molecular functions. Moreover, we attempt to provide a comprehensive insight into RKN effectors concerning their implications on overall plant and nematode biology. Since effectors are the primary and prime molecular weapons of RKNs to invade the plant, it is imperative to understand their intriguing and complex functions to design counter-strategies against RKN infection.1 aJagdale, Shounak1 aRao, Uma1 aGiri, Ashok, P. uhttps://library.ncl.res.in/content/effectors-root-knot-nematodes-arsenal-successful-parasitism00890nas a2200253 4500008004100000022001400041245013400055210006900189260000800258300001100266490000800277100001900285700002300304700001900327700001700346700001800363700002200381700001800403700002300421700001800444700002300462700002000485856013100505 2021 eng d a0925-838800aElucidating the effect of CaF2 on structure, biocompatibility and antibacterial properties of S53P4 glass (vol 831, 154704, 2020)0 aElucidating the effect of CaF2 on structure biocompatibility and cNOV a1612530 v8831 aPrasad, Sakthi1 aGanisetti, Sudheer1 aJana, Anuradha1 aKant, Shashi1 aSinha, P., K.1 aTripathy, Sucheta1 aIllath, Kavya1 aAjithkumar, T., G.1 aAnnapurna, K.1 aAllu, Amarnath, R.1 aBiswas, Kaushik uhttps://library.ncl.res.in/content/elucidating-effect-caf2-structure-biocompatibility-and-antibacterial-properties-s53p4-glass02417nas a2200241 4500008004100000022001400041245013200055210006900187260000800256300001200264490000700276520156800283653002301851653002801874653002001902653001601922653002201938653002201960100002601982700002002008700002302028856012402051 2021 eng d a0538-806600aEstimation of reaction kinetics for aromatic and heterocycles nitration in mixed acids through computational chemistry approach0 aEstimation of reaction kinetics for aromatic and heterocycles ni cMAR a319-3320 v533 a

Nitration of aromatic compounds and heterocycles in mixed acid environment is one of the regularly performed large-scale reactions in the chemical industry. Although the reaction mechanism of nitration of aromatics in mixed acid is well established, the development of a methodology for the evaluation of kinetics of exothermic aromatic nitrations in a simplified and accurate way is necessary. Here we evaluate the applicability of a kinetic evaluation methodology based on Hammett's acidity function, acidity function, and empirical activity coefficient for the nitration reaction. The contributions from the functional groups on the aromatic ring and quantitative structure-activity relationships technique are considered for these evaluations. Natural bond orbital and magnetic index nucleus independent chemical shift analyses were carried out to obtain the substitution constants. The rate constant and activation energy values were evaluated at various temperatures and sulfuric acid strengths. The results were validated by comparing with the experimental data from the literature for several molecules. The effect of various functional groups (viz carbonyl, carboxyl, methyl, and amine) substituted on the benzene ring was also evaluated. For a few identified substrates, the data were used for estimation of residence time needed for complete conversion in continuous stirred tank reactor and in a plug flow reactor to quantify the effect of substitution constant and strength of sulfuric acid. The approach will help select a suitable reactor.

10aAromatic nitration10acomputational chemistry10aHammett analogy10amixed acids10aReaction kinetics10areactor selection1 aJadhav, Pandurang, M.1 aPandey, Raj, K.1 aKulkarni, Amol, A. uhttps://library.ncl.res.in/content/estimation-reaction-kinetics-aromatic-and-heterocycles-nitration-mixed-acids-through02151nas a2200181 4500008004100000022001400041245010700055210006900162260000800231300001400239490000700253520149300260100002201753700002601775700001701801700002601818856012501844 2021 eng d a1144-054600aExploring edge functionalised blue phosphorene nanoribbons as novel photocatalysts for water splitting0 aExploring edge functionalised blue phosphorene nanoribbons as no cFEB a3570-35800 v453 a

Hydrogen gas, a highly combustible and eco-friendly fuel is stealing the limelight and its production is one of the major areas of research. An efficient and green method for producing clean hydrogen gas with no harmful by-product is water splitting. With the introduction of low dimensional materials, water splitting has become an easier and cost-effective process. The present work demonstrates the application of one such low dimensional material viz., edge functionalised Blue Phosphorene Nano-Ribbons (BPNRs) as potential photocatalysts. With a carrier mobility of 10(3) cm(2) V-1 s(-1) and a band gap of 1.5-3.0 eV, BPNRs are an attractive candidate for photocatalysis. BPNRs with different edge oreintations, viz. zigzag and armchair are functionalised with CH3O, COOCH3, CHO, COOH, OH, NH2, CONH2, SH, C6H5, and NO2 groups. Their performance towards activating water molecules at different sites on the nanoribbon is studied. The functionalised edges of the BPNRs are the active sites showing similar to 1.2% to 3.2% efficiency in activating the O-H bond of the water molecule. Among the different groups explored, CONH2 functionalised zigzag BPNR clearly exhibits a higher potential towards the adsorption of water molecules (-0.98 eV) and activation of O-H bonds with an elongation of 3.2% and a red shift of 500.6 cm(-1). This is attributed to the lone pair of electrons on the nitrogen atom contributing to the electron donating nature of the CONH2 functional group.

1 aMaibam, Ashakiran1 aChakraborty, Debalina1 aJoshi, Krati1 aKrishnamurty, Sailaja uhttps://library.ncl.res.in/content/exploring-edge-functionalised-blue-phosphorene-nanoribbons-novel-photocatalysts-water01944nas a2200229 4500008004100000022001400041245013300055210006900188260000800257300000800265490000700273520115000280653001401430653001701444653002401461653001701485653002201502100002401524700001901548700002301567856012401590 2021 eng d a1022-976000aFabrication of bacterial nanocellulose/polyethyleneimine (PEI-BC) based cationic adsorbent for efficient removal of anionic dyes0 aFabrication of bacterial nanocellulosepolyethyleneimine PEIBC ba cSEP a3540 v283 aA bacterial cellulose (BC) based adsorbent was prepared by using polyethyleneimine (PEI) using epichlorohydrin as a cross-linker. The physicochemical characterization of the of the developed adsorbent was carried out using FTIR, BET analysis and SEM, respectively. The dye removal efficiency of the adsorbent was assessed towards two anionic model dyes viz. congo red (CR) and reactive red 120(RR). The kinetic data for the removal of both the anionic dyes were fitted better using pseudo-second-order model. Langmuir model describes well the process of adsorption with predicted maximum adsorption capacity (q(max)) 515.46 and 300.3 mg L-1 for CR (at pH 6.0) and RR (at pH 3.0) respectively. The adsorption-desorption study showed that PEI-BC adsorbent is effective with more than 90% dye removal efficiency even after four cycles. Furthermore, the bactericidal activity of the adsorbent was analysed using Escherichia coli and Staphylococcus aureus and adsorbent showed good inhibition against both test organisms. The study reveals that PEI-BC adsorbent can be a good candidate for water remediation purpose bearing multifunctional behaviour.10aadsorbent10aAnionic dyes10aBacterial cellulose10aBactericidal10aPolyethyleneimine1 aThorat, Meghana, N.1 aJagtap, Ashish1 aDastager, Syed, G. uhttps://library.ncl.res.in/content/fabrication-bacterial-nanocellulosepolyethyleneimine-pei-bc-based-cationic-adsorbent02725nas a2200169 4500008004100000022001400041245017900055210006900234260000800303300001400311490000700325520202600332100001702358700002202375700002602397856013202423 2021 eng d a1144-054600aFinite temperature behavior of carbon atom-doped silicon clusters: depressed thermal stabilities, coexisting isomers, reversible dynamical pathways and fragmentation channels0 aFinite temperature behavior of carbon atomdoped silicon clusters cMAY a8217-82270 v453 a

Silicon carbide clusters are significant due to their predominant occurrence in meteoric star dust, particularly in carbon-rich asymptotic giant branch stars. Of late, they have also been recognized as nanoclusters with potential applications in technology. Them both being elements of the same group, there is excellent potential for precise control over the physico-chemical properties of such molecular length-scale materials through atomic engineering and this has been explored recently by various experimentalists. This report simulates one of the significant physical properties, viz. conformational stability, of various carbon-doped silicon clusters as a function of temperature using Born-Oppenheimer molecular dynamics methodology. Single carbon atom-doped silicon clusters with 4-9 atoms (i.e., Si3C-Si8C) are chosen for this study as the gas phase geometries of these clusters have been characterized using a combination of experimental and theoretical methods in the recent past. The simulations ratify that various conformations do not interconvert among themselves at 300 K. The interconversion occurs at 500 K or above, thereby ratifying the possibility of the coexistence of multiple conformations of a given cluster, which are generally synthesized under subroom temperature conditions. Furthermore, the above single carbon atom-doped silicon clusters: (a) have depressed thermal stabilities as compared to their pristine counterparts with the exception of a Si5C conformation; (b) undergo multifarious evolution of the cluster, through the reversible dynamical and fragmentation pathways as a function of temperature and (c) single carbon atom-doped silicon clusters with 7 atoms (starting from Si6C) and above undergo a fragmentation at nearly 2000 K. The underlying electronic and structural properties of various clusters are discussed to explain the above observations with a note on critical fragmentation energy barriers required for the segmentation of clusters with seven or more atoms.

1 aJoshi, Krati1 aMaibam, Ashakiran1 aKrishnamurty, Sailaja uhttps://library.ncl.res.in/content/finite-temperature-behavior-carbon-atom-doped-silicon-clusters-depressed-thermal-stabilities11115nas a2200193 45000080041000002450121000412100069001622600009002313000011002404900008002515201043200259100001610691700001910707700001910726700001810745700001810763700001810781856012210799 2021 eng d00aFlexible metallized carbon nanofibers decorated with two-dimensional NiGa2S4 nanosheets as supercapacitor electrodes0 aFlexible metallized carbon nanofibers decorated with twodimensio cSEP  a1304970 v4203 a

Herein, high-power flexible supercapacitor electrodes were fabricated by decorating Ni-electroplated carbon nanofibers (Ni@CNF) with two-dimensional NiGa2S4 nanosheets. The electrical conductivity of carbon nanofibers was enhanced by the addition of nickel, and the energy storage capability was enhanced by decoration with NiGa2S4. The impact of metal (Ni/Ga) ratio on the overall electrochemical performance of the supercapacitor was studied by varying the Ga concentration. The NiGa2S4 nanosheets promoted diffusion of the electrolyte into the electrode, thereby improving the electrochemical activity. The nanosheets also intensified the charge transfer rate within the composite electrode, which contributed to the overall improvement in the electrochemical performance. The optimal Ga concentration was the concentration at which the specific capacitance was the highest at 488 F·g−1 with a potential window of 1.1 V and current rate of 0.5 A·g−1. The long-term stability test revealed that the capacitance retention of the electrode with this optimal Ni/Ga ratio was 109% after 20,000 cycles. This flexible supercapacitor electrode was subjected to 2000 bending cycles, and the corresponding cyclic voltammetry performance was assessed. In combination, the outstanding electrochemical performance and durable mechanical properties render the NiGa2S4/Ni@CNF electrode highly suitable for flexible energy storage applications.

1 aKim, Yongil1 aSamuel, Edmund1 aJoshi, Bhavana1 aPark, Chanwoo1 aLee, Hae-Seok1 aYoon, Sam, S. uhttps://library.ncl.res.in/content/flexible-metallized-carbon-nanofibers-decorated-two-dimensional-niga2s4-nanosheets02270nas a2200241 4500008004100000022001400041245012300055210006900178260000900247300001200256490000800268520144100276653002701717653001501744653001101759653002901770653002101799100002501820700002201845700002001867700002001887856012101907 2021 eng d a0141-813000aFunctional insights into two Ocimum kilimandscharicum 4-coumarate-CoA ligases involved in phenylpropanoid biosynthesis0 aFunctional insights into two Ocimum kilimandscharicum 4coumarate cJUN  a202-2100 v1813 a

Plant 4-coumarate-CoA ligase (4CL) catalyzes the ligation of CoA to cinnamic acid and its derivatives. Activated CoA esters are utilized for the biosynthesis of phenolic metabolites and lignin that play essential function in plants. Here, we characterize the diversity of Ocimum kilimandscharicum 4CLs (Ok4CLs). Phylogenetic analysis suggest that Ok4CLs could be grouped into three classes, class I -enzymes mostly involved in lignin biosynthesis, class II -non-structural phenylpropanoid biosynthesis and class III -yet to be characterized for specific role(s). We selected two Ok4CLs namely Ok4CL7 and Ok4CL15 for further characterization. Gene expression analysis sug-gested that Ok4CL7 is highly expressed in leaf trichomes, whereas Ok4CL15 is abundant in the roots. The recom-binant Ok4CL7 and Ok4CL15 had optimal enzyme activities at 40 degrees C in pH 8 and 7, respectively. Ok4CL7 showed substrate preference towards p-coumaric acid, ferulic acid and caffeic acid. While, Ok4CL15 preferredp-coumaric acid, ferulic acid and sinapic acid. Feruloyl adenylate showed higher number of contacts and lowers binding en-ergy with Ok4CL7 and 15 compared to cinnamoyl adenylate. Based on root-specific expression and preference for sinapic acid, Ok4CL15 might be involved in lignin biosynthesis. Further exploration is needed to unravel the role of diverse Ok4CLs in O. kilimandscharicum. (c) 2021 Elsevier B.V. All rights reserved.

10a4-Coumarate-CoA ligase10aFlavonoids10alignin10aOcimum kilimandscharicum10aPhenylpropanoids1 aLavhale, Santosh, G.1 aJoshi, Rakesh, S.1 aKumar, Yashwant1 aGiri, Ashok, P. uhttps://library.ncl.res.in/content/functional-insights-two-ocimum-kilimandscharicum-4-coumarate-coa-ligases-involved02009nas a2200217 4500008004100000020001400041245013100055210006900186260000800255300001400263490000700277520121500284100001601499700002001515700002001535700002101555700002301576700002101599700002401620856014701644 2021 eng d a1435-810700aGibberellic acid induces unique molecular responses in ‘thompson seedless’ grapes as revealed by non-targeted metabolomics0 aGibberellic acid induces unique molecular responses in thompson  cFEB a293 - 3040 v403 aCompact clusters and small berry size are the major problems associated with the commercialization of table grapes. The application of gibberellic acid 3 (GA3) has been a long-followed practice to overcome these issues. To analyze the molecular response of ‘Thompson Seedless’ grapes to GA3 treatment, we investigated the metabolomes of its rachises, clusters, and berries, 6 h and 24 h after the treatment. Metabolite profiling using non-targeted metabolomics approach revealed several metabolites, including arginine, proline, tyrosine, kaempferol, resveratrol, catechin, and so on as possible biomarkers of GA3 treatment in grapes. GA3 treatment greatly impacted the alanine, aspartate, and glutamate metabolism pathways, and the GA3-mediated alterations in the levels of certain plant growth regulators and primary metabolites were in accordance with important growth and developmental processes in grapes. This study highlights the effect of GA3 on the profiles of certain polyphenols impacting the flavone and flavonol biosynthesis pathways and hence the nutritional aspect of grapes. The results of this study would be useful to develop self-elongating varieties simplifying the grape cultivation.1 aJadhav, Uma1 aMundhe, Swapnil1 aKumar, Yashwant1 aJogaiah, Satisha1 aUpadhyay, Anuradha1 aGupta, Vidya, S.1 aKadoo, Narendra, Y. uhttps://library.ncl.res.in/content/gibberellic-acid-induces-unique-molecular-responses-%E2%80%98thompson-seedless%E2%80%99-grapes-revealed-non02172nas a2200277 4500008004100000022001400041245012700055210006900182260000800251300001200259490000700271520123000278653002601508653001901534653002001553653001901573653002801592100001601620700002001636700002001656700002101676700002301697700002101720700002401741856012901765 2021 eng d a0721-759500aGibberellic acid induces unique molecular responses in `thompson seedless' grapes as revealed by non-targeted metabolomics0 aGibberellic acid induces unique molecular responses in thompson  cFEB a293-3040 v403 a

Compact clusters and small berry size are the major problems associated with the commercialization of table grapes. The application of gibberellic acid 3 (GA(3)) has been a long-followed practice to overcome these issues. To analyze the molecular response of `Thompson Seedless' grapes to GA(3) treatment, we investigated the metabolomes of its rachises, clusters, and berries, 6 h and 24 h after the treatment. Metabolite profiling using non-targeted metabolomics approach revealed several metabolites, including arginine, proline, tyrosine, kaempferol, resveratrol, catechin, and so on as possible biomarkers of GA(3) treatment in grapes. GA(3) treatment greatly impacted the alanine, aspartate, and glutamate metabolism pathways, and the GA(3)-mediated alterations in the levels of certain plant growth regulators and primary metabolites were in accordance with important growth and developmental processes in grapes. This study highlights the effect of GA(3) on the profiles of certain polyphenols impacting the flavone and flavonol biosynthesis pathways and hence the nutritional aspect of grapes. The results of this study would be useful to develop self-elongating varieties simplifying the grape cultivation.

10aBiosynthetic pathways10aGA(3) response10aGA(3) signaling10aSultana grapes10aUntargeted metabolomics1 aJadhav, Uma1 aMundhe, Swapnil1 aKumar, Yashwant1 aJogaiah, Satisha1 aUpadhyay, Anuradha1 aGupta, Vidya, S.1 aKadoo, Narendra, Y. uhttps://library.ncl.res.in/content/gibberellic-acid-induces-unique-molecular-responses-thompson-seedless-grapes-revealed-non02571nas a2200241 4500008004100000022001400041245009300055210006900148260000800217300000700225490000700232520178400239653001902023653001802042653001602060653001702076653002102093100002102114700002202135700002502157700002202182856012502204 2021 eng d a2190-572X00aGlucosinolate induces transcriptomic and metabolic reprogramming in Helicoverpa armigera0 aGlucosinolate induces transcriptomic and metabolic reprogramming cJAN a260 v113 a

Glucosinolates protect plants from herbivory. Lepidopteran insects have developed resistance to glucosinolates which is well studied. However, the molecular effects of glucosinolate intake on insects are unexplored. To elucidate this, we performed transcriptomics and metabolomics of sinigrin-fed Helicoverpa armigera. Transcriptomics exhibits significant dysregulation of 2375 transcripts, of which 1575 are upregulated and 800 downregulated. Gene Ontology analysis of differentially expressed genes reveals that key hydrolases, oxidoreductases, and transferases are majorly affected. The negative impact of sinigrin is significant and localized in the endomembrane system and mitochondria. It also disturbs various biological processes such as regulation of protein metabolism and cytoskeletal organization. Furthermore, H. armigera putative myrosinase-like enzymes may catalyze the breakdown of sinigrin to allyl isothiocyanate (AITC). AITC targets the electron transport chain causing oxidative stress. KEGG pathway enrichment shows significant upregulation of oxidative phosphorylation, glutathione metabolism and amino acid metabolism. Activation of these pathways induces glutathione synthesis for sinigrin detoxification. Differential gene expression indicates upregulation of glutathione S-transferase and succinate dehydrogenase suggesting mitochondrial impact. Transcriptomics data correlated with metabolomics show changes in serine, methionine, ornithine, and other metabolite levels. It corroborates well with the transcript alterations supporting the increased glutathione production. Thus, our data suggest that sinigrin generates oxidative stress in H. armigera and insects alter their metabolic wiring to overcome sinigrin-mediated deleterious effects.

10aDetoxification10aGlucosinolate10aGlutathione10amitochondria10aOxidative stress1 aJagdale, Shounak1 aTellis, Meenakshi1 aBarvkar, Vitthal, T.1 aJoshi, Rakesh, S. uhttps://library.ncl.res.in/content/glucosinolate-induces-transcriptomic-and-metabolic-reprogramming-helicoverpa-armigera01919nas a2200241 4500008004100000022001400041245007400055210006900129260000800198490000700206520118700213653002001400653001901420653001601439653003101455653001201486100001501498700001601513700001801529700001501547700001401562856010101576 2021 eng d a0962-107500aGlycosyltransferases: the multifaceted enzymatic regulator in insects0 aGlycosyltransferases the multifaceted enzymatic regulator in ins cAPR0 v303 a

Glycosyltransferases (GTs) catalyse the reaction of glyco-conjugation of various biomolecules by transferring the saccharide moieties from an activated nucleotide sugar to nucleophilic glycosyl acceptor. In insects, GTs show diverse temporal and site-specific expression patterns and thus play significant roles in forming the complex biomolecular structures that are necessary for insect survival, growth and development. Several insects exhibit GT-mediated detoxification as a key defence strategy against plant allelochemicals and xenobiotic compounds, as well as a mechanism for pesticide cross-resistance. Also, these enzymes act as crucial effectors and modulators in various developmental processes of insects such as eye development, UV shielding, cuticle formation, epithelial development and other specialized functions. Furthermore, many of the known insect GTs have been shown to play a fundamental role in other physiological processes like body pigmentation, cuticular tanning, chemosensation and stress response. This review provides a detailed overview of the multifaceted functionality of insect GTs and summarizes numerous case studies associated with it.

10aAllelochemicals10aDetoxification10aDevelopment10aglycosyltransferases (GTs)10ainsects1 aNagare, M.1 aAyachit, M.1 aAgnihotri, A.1 aSchwab, W.1 aJoshi, R. uhttps://library.ncl.res.in/content/glycosyltransferases-multifaceted-enzymatic-regulator-insects01750nas a2200229 4500008004100000245008100041210006900122260000800191300001600199490000600215520098800221100002501209700001801234700001701252700002501269700002601294700003001320700001801350700002301368700002101391856010801412 2021 eng d00aIdentification of a novel series of potent organosilicon mosquito repellents0 aIdentification of a novel series of potent organosilicon mosquit cNOV a31236-312430 v63 aMosquito control by personal protection is one of the most efficient ways of curtailing deadly diseases such as malaria and dengue with the potential to save millions of lives per year. DEET (N,N-diethyl-3-methyl benzamide) is currently considered as the gold standard for mosquito repellents, being used for the past several decades. Control by DEET, however, is being threatened by emerging resistance among mosquitoes. To address this concern and also to improve protection times, we synthesized a novel series of 25 silicon-containing acyl piperidines using acid–amine coupling protocol and tested their activity against Aedes aegypti in mosquito-repellent assays. Several compounds from this series appear to possess good mosquito-repellent properties. Most notably, at 0.5 mg/cm2 concentrations, the mean protection time for NDS100100 was 756 min, which was higher than that of DEET (616 min). The details of design, synthesis, and biological evaluation are discussed herein.1 aKulkarni, Akshay, S.1 aRamesh, Remya1 aWalia, Safal1 aSayyad, Shahebaz, I.1 aGathalkar, Ganesh, B.1 aBalamkundu, Seetharamsing1 aJoshi, Manali1 aSen, Avalokiteswar1 aReddy, Srinivasa uhttps://library.ncl.res.in/content/identification-novel-series-potent-organosilicon-mosquito-repellents02178nas a2200241 4500008004100000022001400041245011600055210006900171260000800240300001200248490000700260520139300267653001201660653001301672653001401685653002001699653001301719100002301732700001801755700002101773700001801794856012401812 2021 eng d a0959-810300aInjectabledextran-fluorenylmethoxycarbonylphenylalanine composite hydrogels with improved mechanical properties0 aInjectabledextranfluorenylmethoxycarbonylphenylalanine composite cFEB a222-2290 v703 a

Low molecular weight hydrogels are recently gaining importance owing to their applications in material sciences and biology. A new class of composite hydrogel was developed using polysaccharides such as dextran and fluorenylmethoxycarbonyl phenylalanine (FmocF) in a phosphate buffer. The molecular weight and concentration of the dextran were varied to obtain rigid but injectable hydrogels without using other crosslinking agents. From the different molecular weights of dextran studied (5k, 40k and 70k), a combination of FmocF (0.6% w/v) and dextran 40k (0.012% w/v) composite gels yielded a maximum value of storage modulus of approximately 1500 Pa, which is 3.5 times higher than the storage modulus of pure FmocF gels. Scanning electron microscopy of FmocF/dextran composite gels revealed highly tangled fibrous structures with dense branches and lower fiber diameter compared to pure FmocF gels. The high-intensity hydrogen-bonded N-H peak in the infrared spectra showed enhanced hydrogen bonding in FmocF/dextran composite gels compared to pure FmocF gels. The dextran acts as an impurity in the process of fibrillation, leading to a crystallographic mismatch, and densely packed thin fibers are formed. These gels exhibited gel to sol and sol to gel conversion with temperature or external stress and showed injectable behavior. (c) 2020 Society of Industrial Chemistry

10aDextran10aFmoc-Phe10ahydrogels10ainjectable gels10aRheology1 aAbraham, Jancy, N.1 aJoseph, Seena1 aTrivedi, Rishabh1 aKarle, Mrunal uhttps://library.ncl.res.in/content/injectabledextran-fluorenylmethoxycarbonylphenylalanine-composite-hydrogels-improved01902nas a2200193 4500008004100000022001400041245018300055210006900238260000800307300001400315490000700329520113700336100001901473700002901492700002601521700001501547700002001562856012601582 2021 eng d a1463-926200aAn innovative light assisted production of acetic acid from CO2 and methanol: a first photocatalytic approach using a reusable cobalt(ii) molecular hybrid at atmospheric pressure0 ainnovative light assisted production of acetic acid from CO2 and cNOV a9048-90600 v233 aAcetic acid is an important commodity chemical that is produced either by fermentation processes, or more commonly, through chemical routes such as methanol carbonylation with CO and H-2, acetaldehyde oxidation, or hydrocarbon oxidation. More recently, methanol hydrocarboxylation with CO2 and H-2 under thermal catalytic conditions has attracted interest. The synthesis of acetic acid from easily available CO2 is of great significance yet rarely reported. The present paper describes the first photocatalytic approach for the synthesis of acetic acid from methanol and CO2 under ambient reaction conditions without using molecular hydrogen. The maximum conversion of methanol achieved is 60% with a selectivity of 81% towards acetic acid using an octa-sulfur bound cobalt phthalocyanine (CoPc/S8) photocatalyst without an additional sacrificial electron donor. Product analysis, controlled experiments and DFT calculations suggest the formation of methylene carbene as a reactive intermediate. The developed methodology represents a potentially exciting approach for synthesizing acetic acid utilizing CO2 in a sustainable manner.1 aSaini, Sandhya1 aSamal, Pragnya, Paramita1 aKrishnamurty, Sailaja1 aRay, Anjan1 aJain, Suman, L. uhttps://library.ncl.res.in/content/innovative-light-assisted-production-acetic-acid-co2-and-methanol-first-photocatalytic06307nas a2201765 4500008004100000022001400041245009500055210006900150260000900219300001100228490000700239520113100246100001901377700001901396700002101415700002001436700001701456700002601473700002101499700002301520700001501543700002701558700003401585700002101619700002801640700001701668700001701685700002801702700003001730700002401760700001801784700002301802700001901825700002601844700002601870700003301896700001801929700001801947700002401965700003001989700002702019700002702046700001702073700002602090700002102116700002702137700002402164700003502188700002502223700002802248700002702276700002102303700001802324700002002342700002902362700001602391700001802407700002002425700002002445700001902465700002402484700001902508700002302527700002202550700002402572700001702596700002202613700002102635700002302656700002702679700002202706700001902728700001802747700001802765700001802783700002102801700002002822700002002842700002502862700002102887700001902908700002802927700002502955700001802980700001902998700002203017700002903039700002403068700002603092700002203118700001603140700002403156700002803180700002103208700002203229700002603251700001903277700002703296700001903323700002103342700002303363700002203386700001603408700002703424700001803451700001703469700001503486700001903501700002203520700002003542700002103562700002703583700002303610700002403633700001803657700002103675700002403696700002703720700001803747700002503765700002103790700002103811700003203832700002503864700002203889700002203911700001803933700002503951700001903976700002103995700002004016700002004036700002104056700002204077700002904099700002204128700002304150700003204173700002404205700002904229700002304258700001804281700002104299700002504320700001804345700002004363700001804383700002304401856011704424 2021 eng d a2050-084X00aInsights from a pan India Sero-epidemiological survey (Phenome-India Cohort) for SARS-CoV20 aInsights from a pan India Seroepidemiological survey PhenomeIndi cAPR  ae665370 v103 a

To understand the spread of SARS-CoV2, in August and September 2020, the Council of Scientific and Industrial Research (India) conducted a serosurvey across its constituent laboratories and centers across India. Of 10,427 volunteers, 1058 (10.14%) tested positive for SARS-CoV2 anti-nucleocapsid (anti-NC) antibodies, 95% of which had surrogate neutralization activity. Three-fourth of these recalled no symptoms. Repeat serology tests at 3 (n = 607) and 6 (n = 175) months showed stable anti-NC antibodies but declining neutralization activity. Local seropositivity was higher in densely populated cities and was inversely correlated with a 30-day change in regional test positivity rates (TPRs). Regional seropositivity above 10% was associated with declining TPR. Personal factors associated with higher odds of seropositivity were high-exposure work (odds ratio, 95% confidence interval, p value: 2.23, 1.92-2.59, <0.0001), use of public transport (1.79, 1.43-2.24, <0.0001), not smoking (1.52, 1.16-1.99, 0.0257), non-vegetarian diet (1.67, 1.41-1.99, <0.0001), and B blood group (1.36, 1.15-1.61, 0.001).

1 aNaushin, Salwa1 aSardana, Viren1 aUjjainiya, Rajat1 aBhatheja, Nitin1 aKutum, Rintu1 aBhaskar, Akash, Kumar1 aPradhan, Shalini1 aPrakash, Satyartha1 aKhan, Raju1 aRawat, Birendra, Singh1 aTallapaka, Karthik, Bharadwaj1 aAnumalla, Mahesh1 aChandak, Giriraj, Ratan1 aLahiri, Amit1 aKar, Susanta1 aMulay, Shrikant, Ramesh1 aMugale, Madhav, Nilakanth1 aSrivastava, Mrigank1 aKhan, Shaziya1 aSrivastava, Anjali1 aTomar, Bhawana1 aVeerapandian, Murugan1 aVenkatachalam, Ganesh1 aVijayakumar, Selvamani, Raja1 aAgarwal, Ajay1 aGupta, Dinesh1 aHalami, Prakash, M.1 aPeddha, Muthukumar, Serva1 aSundaram, Gopinath, M.1 aVeeranna, Ravindra, P.1 aPal, Anirban1 aAgarwal, Vinay, Kumar1 aMaurya, Anil, Ku1 aSingh, Ranvijay, Kumar1 aRaman, Ashok, Kumar1 aAnandasadagopan, Suresh, Kumar1 aKaruppanan, Parimala1 aVenkatesan, Subramanian1 aSardana, Harish, Kumar1 aKothari, Anamika1 aJain, Rishabh1 aThakur, Anupama1 aParihar, Devendra, Singh1 aSaifi, Anas1 aKaur, Jasleen1 aKumar, Virendra1 aMishra, Avinash1 aGogeri, Iranna1 aRayasam, Geethavani1 aSingh, Praveen1 aChakraborty, Rahul1 aChaturvedi, Gaura1 aKarunakar, Pinreddy1 aYadav, Rohit1 aSinghmar, Sunanda1 aSingh, Dayanidhi1 aSarkar, Sharmistha1 aBhattacharya, Purbasha1 aAcharya, Sundaram1 aSingh, Vandana1 aVerma, Shweta1 aSoni, Drishti1 aSeth, Surabhi1 aVashisht, Sakshi1 aThakran, Sarita1 aFatima, Firdaus1 aSingh, Akash, Pratap1 aSharma, Akanksha1 aSharma, Babita1 aSubramanian, Manikandan1 aPadwad, Yogendra, S.1 aHallan, Vipin1 aPatial, Vikram1 aSingh, Damanpreet1 aTripude, Narendra, Vijay1 aChakrabarti, Partha1 aMaity, Sujay, Krishna1 aGanguly, Dipyaman1 aSarkar, Jit1 aRamakrishna, Sistla1 aKumar, Balthu, Narender1 aKumar, Kiran, A.1 aGandhi, Sumit, G.1 aJamwal, Piyush, Singh1 aChouhan, Rekha1 aJamwal, Vijay, Lakshmi1 aKapoor, Nitika1 aGhosh, Debashish1 aThakkar, Ghanshyam1 aSubudhi, Umakanta1 aSen, Pradip1 aChaudhury, Saumya, Ray1 aKumar, Rashmi1 aGupta, Pawan1 aTuli, Amit1 aSharma, Deepak1 aRinge, Rajesh, P.1 aAmarnarayan, D.1 aKulkarni, Mahesh1 aShanmugam, Dhansekaran1 aDharne, Mahesh, S.1 aDastager, Sayed, G.1 aJoshi, Rakesh1 aPatil, Amita, P.1 aMahajan, Sachin, N.1 aKhan, Abujunaid, Habib1 aWagh, Vasudev1 aYadav, Rakesh, Kumar1 aKhilari, Ajinkya1 aBhadange, Mayuri1 aChaurasiya, Arvindkumar, H.1 aKulsange, Shabda, E.1 aKhairnar, Krishna1 aParanjape, Shilpa1 aKalita, Jatin1 aSastry, Narahari, G.1 aPhukan, Tridip1 aManna, Prasenjit1 aRomi, Wahengbam1 aBharali, Pankaj1 aOzah, Dibyajyoti1 aSahu, Ravi, Kumar1 aBabu, Elapavalooru, Vssk1 aSukumaran, Rajeev1 aNair, Aiswarya, R.1 aValappil, Prajeesh, Kooloth1 aPuthiyamadam, Anoop1 aVelayudhanpillai, Adarsh1 aChodankar, Kalpana1 aDamare, Samir1 aMadhavi, Yennapu1 aAggarwal, Ved, Varun1 aDahiya, Sumit1 aAgrawal, Anurag1 aDash, Debasis1 aSengupta, Shantanu uhttps://library.ncl.res.in/content/insights-pan-india-sero-epidemiological-survey-phenome-india-cohort-sars-cov200940nas a2200253 4500008004100000022001400041245013700055210006900192260000800261300001100269490000800280100002200288700002100310700001800331700002900349700002200378700002600400700002400426700002600450700002100476700002200497700003700519856013000556 2021 eng d a0031-942200aLimonoid biosynthesis 3: functional characterization of crucial genes involved in neem limonoid biosynthesis (vol 184, 112669, 2021)0 aLimonoid biosynthesis 3 functional characterization of crucial g cJUL a1127510 v1871 aPandreka, Avinash1 aChaya, Patil, S.1 aKumar, Ashish1 aAarthy, Thiagarayaselvam1 aMulani, Fayaj, A.1 aBhagyashree, Date, D.1 aShilpashree, H., B.1 aJennifer, Cheruvathur1 aPonnusamy, Sudha1 aNagegowda, Dinesh1 aThulasiram, Hirekodathakallu, V. uhttps://library.ncl.res.in/content/limonoid-biosynthesis-3-functional-characterization-crucial-genes-involved-neem-limonoid-002952nas a2200349 4500008004100000022001400041245011300055210006900168260000800237300001100245490000800256520180300264653002202067653003202089653002702121653001402148653001402162653001602176653001802192100002202210700002102232700001802253700002902271700002202300700002602322700002402348700002602372700002102398700002202419700003302441856012802474 2021 eng d a0031-942200aLimonoid biosynthesis 3: functional characterization of crucial genes involved in neem limonoid biosynthesis0 aLimonoid biosynthesis 3 functional characterization of crucial g cAPR a1126690 v1843 a

Neem (Azadirachta indica L.) is well known for its medicinal, agricultural, and pesticidal applications since ages. The secondary metabolites, limonoids, confer these biological properties, wherein over 150 different limonoids have been reported from neem. To understand limonoid biosynthesis, we analyzed tissue-specific (kernel, pericarp, leaves, and flower) transcriptome that resulted in the identification of one farnesyl diphosphate synthase (AiFDS), one squalene synthase (AiSQS), three squalene epoxidases (AiSQE1, AiSQE2, and AiSQE3), two triterpene synthases (AiTTS1 and AiTTS2), cycloartenol synthase (AiCAS), two cytochrome P450 reductases, and ten cytochrome P450 systems. Comparative tissue-expression analysis indicated that AiFDS, AiSQS, AiSQE3, and AiTTS1 are expressed higher in the kernel than in the other tissues. Heterologously expressed recombinant AiTTS1 produced tirucalla-7,24-dien-3 beta-ol as the sole product. Expression profile data, phylogeny with triterpene synthases from Meliaceae and Rutaceae families, real-time PCR of different tissues, and transient transformation revealed the involvement of tirucalla-7,24-dien-3 beta-ol synthase (AiTTS1) in limonoid biosynthesis. Further, mutagenesis studies of AiTTS1 indicated that Y125 and F260 are probably involved in stabilization of dammarenyl cation. A 2.6-fold increase in production of tirucalla-7,24-dien-3 beta-ol was observed when AiSQE1 was coexpressed with mutant AiTTS1 in a yeast system. Furthermore, we functionally characterized the highly expressed cytochrome P450 reductases and cycloartenol synthase. This study helps in further analysis and identification of genes involved in limonoid biosynthesis in Meliaceae/Rutaceae and their production in a metabolically tractable heterologous system.

10a24-dien-3 beta-ol10aAzadirachta indica A. Juss.10aCytochrome P450 system10aLimonoids10aMeliaceae10aTirucalla-710aTranscriptome1 aPandreka, Avinash1 aChaya, Patil, S.1 aKumar, Ashish1 aAarthy, Thiagarayaselvam1 aMulani, Fayaj, A.1 aBhagyashree, Date, D.1 aShilpashree, H., B.1 aJennifer, Cheruvathur1 aPonnusamy, Sudha1 aNagegowda, Dinesh1 aThulasiram, Hirekodathakallu uhttps://library.ncl.res.in/content/limonoid-biosynthesis-3-functional-characterization-crucial-genes-involved-neem-limonoid02291nas a2200265 4500008004100000022001400041245012300055210006900178260000800247300001100255490000900266520140300275653003201678653003101710653000901741653002301750653002101773653000801794100002101802700001901823700001901842700001801861700002001879856012601899 2021 eng d a1570-963900aLoss of a water-mediated network results in reduced agonist affinity in a beta(2)-adrenergic receptor clinical variant0 aLoss of a watermediated network results in reduced agonist affin cAPR a1406050 v18693 a

The beta(2)-adrenergic receptor (beta(2)AR) is a member of the G protein-coupled receptor (GPCR) family that is an important drug target for asthma and COPD. Clinical studies coupled with biochemical data have identified a critical receptor variant, Thr164Ile, to have a reduced response to agonist-based therapy, although the molecular mechanism underlying this seemingly ``non-deleterious'' substitution is not clear. Here, we couple molecular dynamics simulations with network analysis and free-energy calculations to identify the molecular determinants underlying the differential drug response. We are able to identify hydration sites in the transmembrane domain that are essential to maintain the integrity of the binding site but are absent in the variant. The loss of these hydration sites in the variant correlates with perturbations in the intra-protein interaction network and rearrangements in the orthosteric ligand binding site. In conjunction, we observe an altered binding and reduced free energy of a series of agonists, in line with experimental trends. Our work identifies a functional allosteric pathway connected by specific hydration sites in beta(2)AR that has not been reported before and provides insight into water-mediated networks in GPCRs in general. Overall, the work is one of the first step towards developing variant-specific potent and selective agonists.

10abeta(2)-Adrenergic receptor10aG protein coupled receptor10aGPCR10amolecular dynamics10aPharmacogenetics10aSNP1 aNikte, Siddhanta1 aSonar, Krushna1 aTandale, Aditi1 aJoshi, Manali1 aSengupta, Durba uhttps://library.ncl.res.in/content/loss-water-mediated-network-results-reduced-agonist-affinity-beta2-adrenergic-receptor01733nas a2200169 4500008004100000022001400041245010900055210006900164260000900233300001000242490000700252520112200259100001701381700002001398700001801418856012701436 2021 eng d a1144-054600aLowering the C-H bond activation barrier of methane by means of SAC@Cu(111): periodic DFT investigations0 aLowering the CH bond activation barrier of methane by means of S cDEC  a70-740 v463 aMethane has long captured the world's attention for being the simplest yet one of the most notorious hydrocarbons. Exploring its potential to be converted into value-added products has raised compelling interest. In the present work, we have studied the efficiency of single-atom catalysts (SACs) for methane activation employing density functional theory (DFT). The climbing image-nudged elastic band (CI-NEB) method is used in tandem with the improved dimer (ID) method to determine the minimum energy pathway for the first C-H bond dissociation of methane. Our study reported that the transition-metal doped Cu(111) surfaces enhance the adsorption, activate the C-H bond, and reduce the activation barrier for first C-H bond cleavage of methane. The results suggest Ru-/Co-/Rh-doped Cu(111) as promising candidates for methane activation with a minimal activation barrier and a less endothermic reaction. For these SACs, the calculated activation barriers for the first C-H bond cleavage are 0.17 eV, 0.24 eV, and 0.26 eV respectively, which is substantially lower than 1.13 eV, the activation barrier for Cu(111).1 aBhati, Meema1 aDhumal, Jignesh1 aJoshi, Kavita uhttps://library.ncl.res.in/content/lowering-c-h-bond-activation-barrier-methane-means-saccu111-periodic-dft-investigations01634nas a2200229 4500008004100000022001400041245007600055210006900131260000800200300001200208490000700220520091200227653001201139653002401151653002101175653001001196653001901206100002301225700002601248700002201274856010801296 2021 eng d a1949-307X00aMagnetic and magnetoelastic properties of Ni-substituted cobalt ferrite0 aMagnetic and magnetoelastic properties of Nisubstituted cobalt f cJAN a25042050 v123 aIn this letter, magnetic and magnetostriction studies were performed on spinel ferrite Co1-xNixFe2O4 (CNF series) with 0.0 < x < 0.5. All the samples were synthesized by the conventional ceramic method and confirmed to be forming pure spinel phase. The unit cell parameter showed gradual decrease with increasing Ni content. A linear decrease in saturation magnetization (M-s) and coercivity (H-c) was observed with increasing Ni substitution, which could be attributed to reduced magneto-crystalline anisotropy. The room temperature magnetostriction studies revealed a slow decrease in maximum magnetostriction, and interestingly, for 20% reduction of cobalt concentration, i.e., for x = 0.2, a magnetostrictive strain of -164 ppm and substantially high stress sensitivity of -56 x 10(-6) A(-1) m were observed, making Co0.8Ni0.2Fe2O4 suitable for application as a magnetostrictive stress-sensing material.10aFerrite10aMagnetism in solids10aMagnetostriction10aoxide10astress sensing1 aBhame, Shekhar, D.1 aShirolkar, Mandar, M.1 aJoy, Pattayil, A. uhttps://library.ncl.res.in/content/magnetic-and-magnetoelastic-properties-ni-substituted-cobalt-ferrite01751nas a2200313 4500008004100000022001400041245006800055210006800123260000800191300001000199490000700209520080600216653002001022653002601042653003801068653002101106100002001127700001901147700001601166700001901182700002001201700001701221700002501238700002001263700002001283700001801303700001601321856010001337 2021 eng d a1580-294900aMechanical properties of anodic titanium dioxide nanostructures0 aMechanical properties of anodic titanium dioxide nanostructures cJAN a19-240 v553 a

Highly ordered and uniform titanium dioxide (TiO2) nanotubes (NTs) with different morphologies (15 nm, 50 nm and 100 nm in diameter) were prepared by the electrochemical anodization of Ti substrates. The TiO2 NTs' surface properties were characterized by X-ray diffraction (XRD) spectroscopy, Raman spectroscopy, scanning electron microscopy (SEM) and atomic force microscopy (AFM). The elastic modulus (E) and the Vickers hardness (HV) of the Ti foil and of the different-morphology TiO2 NTs were evaluated with the nano-indentation technique. E and HV increase with the decreasing length/diameter of the NTs, meaning that NTs with smaller diameters are more resistant to mechanical wear. The elastic modulus of the TiO2 NTs with 15-nm and 50-nm diameters is similar to that of the human bone.

10aElastic modulus10amechanical properties10atitanium dioxide (TiO2) nanotubes10aVickers hardness1 aKulkarni, Mukta1 aSepitka, Josef1 aJunkar, Ita1 aBencina, Metka1 aRawat, Niharika1 aMazare, Anca1 aRode, Chandrashekhar1 aGokhale, Suresh1 aSchmuki, Patrik1 aDaniel, Matej1 aIglic, Ales uhttps://library.ncl.res.in/content/mechanical-properties-anodic-titanium-dioxide-nanostructures02695nas a2200181 4500008004100000022001400041245009400055210006900149260000900218300001400227490000700241520205600248100002102304700002902325700002202354700001702376856012002393 2021 eng d a0743-746300aMechanism of adhesion of natural polymer coatings to chemically modified siloxane polymer0 aMechanism of adhesion of natural polymer coatings to chemically  cMAR  a2974-29840 v373 a

Surface coatings play an important role in improving the performance of biomedical implants. Polydimethylsiloxane (PDMS) is a commonly used material for biomedical implants, and surface-coated PDMS implants frequently face problems such as delamination or cracking of the coating. In this work, we have measured the performance of nano-coatings of the biocompatible protein polymer silk fibroin (SF) on pristine as well as modified PDMS surfaces. The PDMS surfaces have been modified using oxygen plasma treatment and 3-amino-propyltriethoxy-silane (APTES) treatment. Although these techniques of PDMS modification have been known, their effects on adhesion of SF nano-coatings have not been studied. Interestingly, testing of the coated samples using a bulk technique such as tensile and bending deformation showed that the SF nano-coating exhibits improved crack resistance when the PDMS surface has been modified using APTES treatment as compared to an oxygen plasma treatment. These results were validated at the microscopic and mesoscopic length scales through nano-scratch and nano-indentation measurements. Further, we developed a unique method using modified atomic force microscopy to measure the adhesive energy between treated PDMS surfaces and SF molecules. These measurements indicated that the adhesive strength of PDMS-APTES-SF is 10 times more compared to PDMS-O-2-SF due to the higher number of molecular linkages formed in this nanoscale contact. This lower number of molecular linkages in the PDMS-O-2 indicates that only fewer numbers of surface hydroxyl groups interact with the SF protein through secondary interactions such as hydrogen bonding. On the other hand, a larger number of amine groups present on PDMS-APTES surface hydrogen bond with the polar amino acids present on the silk fibroin protein chain, resulting in better adhesion. Thus, APTES modification to the PDMS substrate results in improved adhesion of nano-coating to the substrate and enhances the delamination and crack resistance of the nano-coatings.

1 aJoseph, Emmanuel1 aRajput, Shatruhan, Singh1 aPatil, Shivprasad1 aNisal, Anuya uhttps://library.ncl.res.in/content/mechanism-adhesion-natural-polymer-coatings-chemically-modified-siloxane-polymer03496nas a2200193 4500008004100000245019800041210006900239260000800308300001200316490000700328520269100335100002603026700002103052700002603073700003003099700003103129700001703160856012503177 2021 eng d00aMicro-computed tomographic analysis of the marginal adaptation of a calcium silicate-based cement to radicular dentin after removal of three different intracanal medicaments - an in vitro study0 aMicrocomputed tomographic analysis of the marginal adaptation of cFEB a598-6030 v233 a

Context: This study focuses on the marginal adaptation of a calcium silicate-based cement to the root dentin after retrieval of different intracanal medicaments.

Aim: This study compared the marginal adaptation of a calcium silicate-based cement to radicular dentin in the apical third of the root canal following the use of three different intracanal medicaments.

Materials and methods: Forty single-rooted premolar teeth (n = 40) were decoronated 13 mm above the root apices; then, 3 mm of the root tips were resected to standardize the root length. Orthograde cleaning and shaping were done using the rotary files and apical enlargement using peeso reamers. Depending on the intracanal medicament used, the samples were equally divided into four groups: Group 1 - control, Group 2 - Metapex, Group 3 - triple antibiotic paste (TAP), and Group 4 - calcium hydroxide with Propolis. Subsequently, the medicament was removed and a 3 mm apical barrier of BiodentineTM was placed and later scanned using an ex vivo micro-computed tomography scanner.

1 aJain, Ruchika, Nirmal1 aAbraham, Sathish1 aKarad, Rohini, Ramesh1 aNajan, Harshal, Balasaheb1 aVaswani, Sneha, Dhruvkumar1 aTorris, Arun uhttps://library.ncl.res.in/content/micro-computed-tomographic-analysis-marginal-adaptation-calcium-silicate-based-cement02262nas a2200241 4500008004100000022001400041245009500055210006900150260000800219490000800227520149500235653001201730653002501742653001701767653002301784653002401807653001401831100001701845700000501862700002201867700001801889856011301907 2021 eng d a0022-263100aMolecular characterization of the beta(2)-like octopamine receptor of helicoverpa armigera0 aMolecular characterization of the beta2like octopamine receptor  cJUN0 v2543 a

Helicoverpa armigera is a devastating polyphagous and cosmopolitan crop pest. There are reports of this insect being resistant to a variety of pesticides raising concern worldwide. The Octopamine (OA) binding beta(2)-like receptor (OAR), a GPCR, is widely distributed in the nervous system of the insect and plays essential roles in the physiology and development and thus is an important target for insecticides. Yet, the molecular characterization of the H. armigera OAR (HarmOAR) and rational design of compounds based on this receptor is lacking. As a first step, we performed multiple sequence alignment of all insect OARs, which revealed that the sequences contained all conserved class A GPCR motifs. Phylogenetic studies showed clade-specific variations in the protein sequences primarily arising owing to differences in the ICL3 loop region. Further, a structural model of HarmOAR was built using the inactive human beta(2)AR as a template. 0.9 mu s atomistic simulations revealed conserved inter helical contacts and water molecules of HarmOAR. The detailed binding of octopamine was studied using molecular docking and 0.3 mu s atomistic simulations. Twenty-two insecticides active against octopamine receptors of other insects were compiled and docked to HarmOAR followed by rescoring with binding free energies to prioritize them for H. armigera. Our study suggests alpha-terpineol to be a good candidate as an insecticide or insect repellent for Helicoverpa armigera.

10adocking10aHelicoverpa armigera10aInsecticides10amolecular dynamics10aOctopamine receptor10aPhylogeny1 aGujar, Nidhi1 a1 aJoshi, Rakesh, S.1 aJoshi, Manali uhttps://library.ncl.res.in/content/molecular-characterization-beta2-octopamine-receptor-helicoverpa-armigera02638nas a2200277 4500008004100000022001400041245011500055210006900170260000900239300001100248490000900259520174400268653000802012653001302020653001402033653001802047653001202065653000902077100002202086700002302108700002102131700003202152700002202184700002502206856012902231 2021 eng d a0925-443900aMolecular investigation of glycated insulin-induced insulin resistance via insulin signaling and AGE-RAGE axis0 aMolecular investigation of glycated insulininduced insulin resis cFEB  a1660290 v18673 a

Hyperglycemic condition in diabetes promotes glycation of various plasma proteins including insulin. Glycation of insulin has been reported to reduce its biological activity. Reduced biological activity of glycated insulin could be either due to reduced affinity for the insulin receptor and impaired insulin signaling, or it can act as a ligand for the receptor for advanced glycation end products (RAGE) and activates oxidative stress and pro-inflammatory pathways leading to insulin resistance. This study investigates the effect of glycated insulin on both insulin and RAGE signaling. Glycated insulin treatment to Chinese hamster ovary (CHO-IR-GLUT4) cells stably expressing insulin receptor (IR) and glucose transporter fused with a green fluorescent protein (GLUT4-GFP) resulted in the impairment of insulin signaling, as the phosphorylation of IR and AKT significantly reduced, which affected GLUT4 translocation and glucose uptake. Moreover, it also activated RAGE signaling as observed by increased expression of NADPH oxidase accompanied by an increase in reactive oxygen species (ROS). Immunofluorescence study indicated the translocation of NF-kappa B to the nucleus upon treatment of glycated insulin. This was associated with increased RAGE expression, Caspase 3, and cell death. Downregulation of RAGE with the losartan treatment restored the impaired insulin signaling and glucose uptake. Additionally, in silico study demonstrated that glycated insulin has reduced binding affinity to insulin receptor and increased binding affinity to RAGE. Overall, this study demonstrates the role of glycated insulin in exacerbating insulin resistance by impairing insulin signaling as well as stimulating AGE-RAGE signaling.

10aAGE10aDiabetes10aGlycation10aHyperglycemia10ainsulin10aRAGE1 aWalke, Prachi, B.1 aBansode, Sneha, B.1 aMore, Nikita, P.1 aChaurasiya, Arvindkumar, H.1 aJoshi, Rakesh, S.1 aKulkarni, Mahesh, J. uhttps://library.ncl.res.in/content/molecular-investigation-glycated-insulin-induced-insulin-resistance-insulin-signaling-and02158nas a2200229 4500008004100000022001400041245012900055210006900184260000800253300001100261490000700272520129700279653003401576653001901610653003701629653003001666653003001696653001601726100002901742700002701771856013001798 2021 eng d a2452-262700aMolecularly engineered graphene oxide anchored metal organic assembly: an active site economic bi-functional electrocatalyst0 aMolecularly engineered graphene oxide anchored metal organic ass cSEP a1002690 v293 aLow-temperature fuel cells are the most promising sustainable energy technology as they use hydrogen, an environmentally clean fuel. However, the sluggish kinetics of oxygen electrochemistry, a chronic issue, is holding them from commercialization. Herein, we address this issue through a molecular level design of a Graphene oxide anchored Metal Organic Molecular Assembly (G-MOMA) based catalyst. This non-precious metal catalyst consists of Ni and Fe ions ligated by graphene oxide supported terpyridine, a unique molecular assembly design that maximizes the utilization of active metal centers. This G-MOMA catalyst brings down an over potential (240 mV) for oxygen evolution reaction (OER) as close as that of the bench mark catalyst Ru/C with an impressive Tafel slope of 58 mV/dec and a cyclic stability of >30,000 cycles. G-MOMA excels in oxygen reduction reaction (ORR) too with an onset at 0.88 V (vs RHE). The remarkably stable G-MOMA catalyst surprises with an excellent bi-functionality towards both OER and ORR with an overall potential difference of mere 0.77 V, which is 180 mV and 70 mV lesser than the standard Pt/C and Ru/C catalysts, respectively. The G-MOMA catalyst is well in the activity range of the state-of-art bi-functional catalysts and yet cheaper by many folds.10aBi-functional electrocatalyst10agraphene oxide10aMetal organic molecular assembly10aOxygen Evolution Reaction10aoxygen reduction reaction10aterpyridine1 aJhajharia, Suman, Kumari1 aSelvaraj, Kaliaperumal uhttps://library.ncl.res.in/content/molecularly-engineered-graphene-oxide-anchored-metal-organic-assembly-active-site-economic01544nas a2200253 4500008004100000022001400041245004900055210004900104260000800153300001200161490000800173520084200181653001301023653001801036653001901054653002201073653001801095100002201113700001701135700001801152700001701170700002201187856008101209 2021 eng d a0011-389100aMycology and mycotechnology on postal stamps0 aMycology and mycotechnology on postal stamps cFEB a628-6360 v1203 a

Mycology, the study of fungal biology, and philately, the study of postage stamps, are rarely connected, as they are very different activities. However, philatelic mycology can raise awareness of the facets of fungi which contribute significantly to human welfare. Fungi are photogenic and exhibit physiological wonders such as luminescence. They are important in biotechnology for their secondary metabolites. So, stamps depicting fungi signal the recognition of problems and prospects of prosperity posed by fungi in nutrition and health, agriculture, engineering, industry and ecology. Many countries have issued thousands of stamps on fungi. India with a rich heritage of fungal diversity lags in this respect. This article hopes to inspire action by celebrating the beauty and significance of fungi in the art of philately.

10amycology10amycophilately10aMycotechnology10aphotogenic appeal10apostal stamps1 aGhormade, Vandana1 aPathan, Ejaj1 aJyoti, Jeevan1 aVartak, Ajit1 aDeshpande, Mukund uhttps://library.ncl.res.in/content/mycology-and-mycotechnology-postal-stamps01691nas a2200277 4500008004100000022001400041245012000055210006900175260000900244300001600253490000700269520075600276653002501032653002001057653002101077653002801098653002001126100001801146700001601164700001601180700002401196700001901220700002301239700002201262856012901284 2021 eng d a1433-785100aNHC-catalyzed desymmetrization of N-aryl maleimides leading to the atroposelective synthesis of N-Aryl succinimides0 aNHCcatalyzed desymmetrization of Naryl maleimides leading to the cMAY  a12264-122680 v603 a

Although the construction of axially chiral C-C bonds leading to the atroposelective synthesis of biaryls and allied compounds are well-known, the related synthesis of compounds bearing axially chiral C-N bonds are relatively rare. Described herein is the N-heterocyclic carbene-catalyzed atroposelective synthesis of N-aryl succinimides having an axially chiral C-N bond via the desymmetrization of N-aryl maleimides. The NHC involved intermolecular Stetter-aldol cascade of dialdehydes with prochiral N-aryl maleimides followed by oxidation afforded N-aryl succinimides in good yields and ee values. Preliminary studies on rotation barrier for the C-N bond, the temperature dependence, and detailed DFT studies on mechanism are also provided.

10aasymmetric catalysis10aaxial chirality10adesymmetrization10aN-heterocyclic carbenes10aorganocatalysis1 aBarik, Soumen1 aShee, Sayan1 aDas, Soumik1 aGonnade, Rajesh, G.1 aJindal, Garima1 aMukherjee, Subrata1 aBiju, Akkattu, T. uhttps://library.ncl.res.in/content/nhc-catalyzed-desymmetrization-n-aryl-maleimides-leading-atroposelective-synthesis-n-aryl01434nas a2200217 4500008004100000022001400041245007000055210006800125260000800193300001400201490000700215520076700222653001100989653002301000653002601023653001201049653001101061100002201072700002001094856010201114 2021 eng d a1527-899900aNickel-catalyzed C-H bond functionalization of azoles and indoles0 aNickelcatalyzed CH bond functionalization of azoles and indoles cDEC a3573-35880 v213 a

Direct C-H functionalization of privileged and biologically relevant azoles and indoles represents an important chemical transformation in molecular science. Despite significant progress in the palladium-catalyzed regioselective C-H functionalization of azoles and indoles, the use of abundant and less expensive nickel catalyst is underdeveloped. In the recent past, the nickel-catalyzed regioselective C-H alkylation, arylation, alkenylation and alkynylation of azoles and indoles have been substantially explored, which can be applied to the complex organic molecule synthesis. In this Account, we summarize the developments in nickel-catalyzed regioselective functionalization of azoles and indoles with a considerable focus on the reaction mechanism.

10aazoles10aC-C Bond formation10aC-H functionalization10aindoles10aNickel1 aJagtap, Rahul, A.1 aPunji, Benudhar uhttps://library.ncl.res.in/content/nickel-catalyzed-c-h-bond-functionalization-azoles-and-indoles02121nas a2200277 4500008004100000022001400041245011800055210006900173260000900242300001600251490000600267520114500273653002201418653002901440653002001469653004901489653002201538100002101560700002101581700001801602700002301620700001701643700003401660700002301694856012601717 2021 eng d a2168-048500aOne-pot bioconversion of tomato waste into poly-gamma-glutamic acid (gamma-PGA) biopolymer by a novel biocatalyst0 aOnepot bioconversion of tomato waste into polygammaglutamic acid cNOV  a14330-143340 v93 aLandfilling of rotten tomatoes can lead to environmental instability and a huge economic loss to the producers. This letter reports an effective valorization of tomato waste into a promising biopolymer, i.e., poly-gamma-glutamic acid (gamma-PGA) by a novel biocatalyst Bacillus paralicheniformis NCIM 5769. The gamma-PGA is one of the most expensive biopolymers with multifarious applications in wound healing, drug delivery, and regenerative medicine fields. However, its adoption into various applications is finite due to its exorbitant production cost. Herein, rotten tomatoes (without additional nutrient supplementation) served as the chassis for the fermentative production of 40 g/L of highly pure gamma-PGA within 48 h at ambient temperature. Further, NMR, DSC, and TGA confirmed the purity of synthesized gamma-PGA identical to standard gamma-PGA. This process has potential in the commercialization of.-PGA by significantly reducing the production cost, followed by the effective utilization of tomato waste leading to United Nations Sustainable Development Goal 12 (i.e., ensure sustainable consumption and production patterns).10aCommercialization10aPoly-gamma-glutamic acid10aRotten tomatoes10aUnited Nations Sustainable Development Goals10aWaste utilization1 aNair, Pranav, G.1 aJoseph, Emmanuel1 aKilli, Naresh1 aKonchada, Sravanya1 aNisal, Anuya1 aGundloori, Rathna, Venkata Na1 aDharne, Mahesh, S. uhttps://library.ncl.res.in/content/one-pot-bioconversion-tomato-waste-poly-gamma-glutamic-acid-gamma-pga-biopolymer-novel03094nas a2200301 4500008004100000022001400041245008000055210006900135260000800204300001200212490000700224520220800231653001402439653001602453653002002469653001302489653001502502653001202517100002002529700002302549700001702572700001902589700002002608700001802628700001802646700002202664856010602686 2021 eng d a1369-378600aOxidative stress induced by piperine leads to apoptosis in Candida albicans0 aOxidative stress induced by piperine leads to apoptosis in Candi cAPR a366-3780 v593 a

Candida albicans is a member of pathogens with potential drug resistance threat that needs novel chemotherapeutic strategies. Considering the multifarious biological activities including bioenhancer activity, anti-Candida potential of piperine was evaluated against planktonic/biofilm and hyphal growth of C. albicans alone or in combination as a synergistic agent with fluconazole. Piperine inhibits planktonic growth at or less than 15 mu g/ml, hyphae induction at 5 mu g/ml concentration, and exhibits stage-dependent activity against biofilm growth of a fluconazole-resistant strain of C. albicans (ATCC10231). Though piperine couldn't kill inoculum completely at minimum inhibitory concentration (MIC), it is fungicidal at higher concentrations, as shown in apoptosis assay. FIC index values indicate that piperine exhibits excellent synergistic activity with fluconazole against planktonic (0.123) and biofilm (0.215) growth of an FLC resistant strain. Mode of anti-Candida activity was studied by identifying piperine responsive proteins wherein the abundance of 25 proteins involved in stress response, signal transduction and cell cycle were modulated (22 up and 3 downregulated) significantly in response to piperine (MIC50). Modulation of the proteins involved suggests that piperine affectsmembrane integrity leading to oxidative stress followed by cell cycle arrest and apoptosis in C. albicans. Flow cytometry-basedmitochondrialmembrane potential (MMP), cell cycle and apoptosis assay, as well as real-time quantitative polymerase chain reaction analysis of selected genes, confirms piperine induced oxidative stress (TRR1), cell cycle arrest and apoptosis (CaMCA1). Based on our results, we conclude that piperine inhibits planktonic and difficult-to treat-biofilm growth of C. albicans by affecting membrane integrity thereby inducing oxidative stress and apoptosis. Lay Abstract Piperine inhibit Candida albicans growth (planktonic and biofilm) significantly in our study. Piperine exhibits excellent synergistic potential with fluconazole The proteome analysis suggests that piperine induced membrane damage leads to oxidative stress followed by cell cycle arrest and apoptosis.

10aApoptosis10aC. albicans10adrug resistance10apiperine10aproteomics10asynergy1 aThakre, Archana1 aJadhav, Vyankatesh1 aKazi, Rubina1 aShelar, Amruta1 aPatil, Rajendra1 aKharat, Kiran1 aZore, Gajanan1 aKaruppayil, Mohan uhttps://library.ncl.res.in/content/oxidative-stress-induced-piperine-leads-apoptosis-candida-albicans02531nas a2200265 4500008004100000022001400041245014600055210006900201260000900270300001100279490000800290520160100298653002501899653000901924653001801933653001501951653001701966100002701983700002102010700003402031700002502065700002202090700002802112856012502140 2021 eng d a0014-305700aPartially bio-based triarylamine-containing polyimides: synthesis, characterization and evaluation in non-volatile memory device applications0 aPartially biobased triarylaminecontaining polyimides synthesis c cMAR  a1103270 v1473 a

A new triarylamine-containing diamine, viz. 4, 4'-diamino-4 `' pentadecyltriphenylamine was synthesised starting from cashew nut shell liquid (CNSL) - a non-edible by-product of cashew processing industry. Three new partially bio-based triarylamine-containing polyimides were synthesised by one-step high temperature solution poly-condensation of 4, 4'-diamino-4 `' pentadecyltriphenylamine with aromatic dianhydrides, namely, 3,3',4,4'-biphenyltetracarboxylic dianhydride (BPDA), 4,4'-oxydiphthalic anhydride (ODPA) and 4,4'-(hexa-fluoroisopropylidene) diphthalic anhydride (6-FDA). Polyimides were determined to be of reasonably high molecular weights as inherent viscosity and number average molecular weights (M-n, Polystyrene standard) values were in the range 0.54-0.60 dL g(-1) and 26,800-43,500 g mol(-1), respectively. Polyimides exhibited excellent solubility in common organic solvents and film-forming nature along with reasonably good thermal properties as indicated by temperature for 10% weight loss (T-10) and glass transition temperatures (T-g) which were in the range 418-447 and 165-225 degrees C, respectively. The optical and electrochemical band-gap values were in the range of 1.95-1.98 eV and 1.671-1.745 eV, respectively. Among triarylamine-containing polyimide devices, BPDA-based device showed acceptable current-voltage and non-volatile memory properties such as the endurance of 500 cycles and 1000 s of retention time. The conduction mechanism developed in the memory devices was also explored and was found to follow Ohmic and Schottky conduction mechanisms.

10aBio-based polyimides10aCNSL10aMemory device10apentadecyl10aTriarylamine1 aChatterjee, Deepshikha1 aJadhav, Uday, A.1 aJavaregowda, Bharathkumar, H.1 aDongale, Tukaram, D.1 aPatil, Pramod, S.1 aWadgaonkar, Prakash, P. uhttps://library.ncl.res.in/content/partially-bio-based-triarylamine-containing-polyimides-synthesis-characterization-and02266nas a2200217 4500008004100000022001400041245010100055210006900156260000800225300001100233490000800244520150100252653003101753653003001784653002801814653002201842100001901864700001701883700002401900856012401924 2021 eng d a0301-462200apH-dependent protein stability switch coupled to the perturbed pKa of a single ionizable residue0 apHdependent protein stability switch coupled to the perturbed pK cJUL a1065910 v2743 a

The contribution of electrostatic interactions in protein stability has not been fully understood. Burial of an ionizable amino acid inside the hydrophobic protein core can affect its ionization equilibrium and shift its pKa differentially in the native (N) and unfolded (U) states of a protein and this coupling between the folding/ unfolding cycle and the ionization equilibria of the ionizable residue can substantially influence the protein stability. Here, we studied the coupling of the folding/unfolding cycle with the ionization of a buried ionizable residue in a multi-domain protein, Human Serum Albumin (HSA) using fluorescence spectroscopy. A pHdependent change in the stability of HSA was observed in the near native pH range (pH 6.0-9.0). The protonation-deprotonation equilibrium of a single thiol residue that is buried in the protein structure was identified to give rise to the pH-dependent protein stability. We quantified the pKa of the thiol residue in the N and the U states. The mean pKa of the thiol in the N state was upshifted by 0.5 units to 8.7 due to the burial of the thiol in the protein structure. Surprisingly, the mean pKa of the thiol in the U state was observed to be downshifted by 1.3 units to 6.9. These results indicate that some charged residues are spatially proximal to the thiol group in the U state. Our results suggest that, in addition to the N state, electrostatic interactions in the U state are important determinants of protein stability.

10aelectrostatic interactions10aFluorescence spectroscopy10aThermodynamic stability10aUnfolded proteins1 aMishra, Prajna1 aPatni, Divya1 aJha, Santosh, Kumar uhttps://library.ncl.res.in/content/ph-dependent-protein-stability-switch-coupled-perturbed-pka-single-ionizable-residue01919nas a2200193 4500008004100000022001400041245008900055210006900144260000800213300001600221490000800237520125000245100001401495700002301509700001901532700002901551700002501580856012001605 2021 eng d a1932-744700aPhotoactive anthraquinone-based host-guest assembly for long-lived charge separation0 aPhotoactive anthraquinonebased hostguest assembly for longlived  cMAY a10891-109000 v1253 aPorous 2D covalent organic frameworks (COF) that are assembled axially through weak p-stacking interactions can provide reticular charge transport channels while playing host to kinetically stabilized reactive molecular redox states. Here we demonstrate a host-guest supramolecular charge transfer (CT) assembly using photoactive anthraquinone-based COF as an acceptor while incarcerating the electron donor N,N-dimethylaniline (DMA) inside it. Employing femtosecond broadband transient absorption spectroscopy in combination with electron paramagnetic resonance (EPR) studies, we show that the CT occurs rapidly within <110 fs after photoexcitation, subsequently leading to long-lived charge separation with 13% quantum efficiency at room temperature. The photoinduced EPR signature of the long-lived confined DMA cation radical confirms the disparate regions of charge localization while H-1-C-13 correlation experiments using solid-state NMR spectroscopy enumerate the packing of the amines inside the host-guest COF assembly. Our work demonstrates the potency of charge transport pathways in supramolecular assemblies for efficient charge separation which if optimally tuned should pave the way for COF-based photocatalytic reaction centers.1 aJha, Ajay1 aMote, Kaustubh, R.1 aChandra, Suman1 aMadhu, Perunthiruthy, K.1 aDasgupta, Jyotishman uhttps://library.ncl.res.in/content/photoactive-anthraquinone-based-host-guest-assembly-long-lived-charge-separation01874nas a2200337 4500008004100000022001400041245012900055210006900184260001100253300001100264490000700275520074300282653002601025653002001051653003101071653004201102653001501144100001701159700001901176700001901195700002101214700002001235700001701255700002701272700002001299700002401319700001801343700001701361700002701378856013101405 2021 eng d a2234-943X00aPlasma-derived extracellular vesicles reveal galectin-3 binding protein as potential biomarker for early detection of glioma0 aPlasmaderived extracellular vesicles reveal galectin3 binding pr cNOV 26 a7787540 v113 a{Gliomas are the most common type of the malignant brain tumor, which arise from glial cells. They make up about 40% of all primary brain tumors and around 70% of all primary malignant brain tumors. They can occur anywhere in the central nervous system (CNS) and have a poor prognosis. The average survival of glioma patients is approximately 6-15 months with poor aspects of life. In this edge, identification of proteins secreted by cancer cells is of special interest because it may provide a better understanding of tumor progression and provide early diagnosis of the diseases. Extracellular vesicles (EVs) were isolated from pooled plasma of healthy controls (n=03) and patients with different grades of glioma (Grade I or II or III10ablood-based biomarker10aearly detection10agalectin-3 binding protein10aplasma-derived extracellular vesicles10aproteomics1 aRana, Rashmi1 aChauhan, Kirti1 aGautam, Poonam1 aKulkarni, Mahesh1 aBanarjee, Reema1 aChugh, Parul1 aChhabra, Satnam, Singh1 aAcharya, Rajesh1 aKalra, Samir, Kumar1 aGupta, Anshul1 aJain, Sunila1 aGanguly, Nirmal, Kumar uhttps://library.ncl.res.in/content/plasma-derived-extracellular-vesicles-reveal-galectin-3-binding-protein-potential-biomarker01803nas a2200241 4500008004100000022001400041245011400055210006900169260000900238300001200247490000800259520100700267100001701274700001901291700001501310700001701325700001301342700001801355700001801373700002201391700002101413856012701434 2021 eng d a2469-995000aPossible electron doping of geometrically perfect spin-1/2 kagome-lattice barlowite by reduced graphene oxide0 aPossible electron doping of geometrically perfect spin12 kagomel cSEP  aL1004180 v1043 aDoping of quantum spin liquid (QSL) insulators by electron or hole leads to intriguing phase transitions to metallic and superconducting states. The barlowite family with geometrically perfect S = 1/2 kagome planes and tunable interkagome coupling is an emerging platform to realize spin-ordered, valence bond crystal, QSL states. Theoretical investigations on electron doping revealed localized states in the band gap of barlowite unlike metallicity in cuprate (Nd2CuO4). We present successful anchoring of phase-pure barlowite crystallites onto reduced graphene oxide (rGO). The resulting barlowite-rGO system was found to be an electrical semiconductor with Arrhenius activation energy of 0.07 eV. Semiconducting properties of the barlowite-rGO system were further modulated with retention of structural integrity. We have attributed such a transformation of electrical transport response to plausible electron doping thereby making charge-doping experiments on barlowite and its analogs propitious.1 aGupta, Kriti1 aNinawe, Pranay1 aJain, Anil1 aDadwal, Arun1 aAnas, M.1 aMalik, V., K.1 aYusuf, S., M.1 aJoy, Pattayil, A.1 aBallav, Nirmalya uhttps://library.ncl.res.in/content/possible-electron-doping-geometrically-perfect-spin-12-kagome-lattice-barlowite-reduced02040nas a2200157 4500008004100000022001400041245011600055210006900171260000900240300001400249490000800263520144100271100001701712700002401729856012901753 2021 eng d a1520-610600aProtonation-deprotonation switch controls the amyloid-like misfolding of nucleic-acid-binding domains of TDP-430 aProtonationdeprotonation switch controls the amyloidlike misfold cAUG  a8383-83940 v1253 aNutrient starvation stress acidifies the cytosol and leads to the formation of large protein assemblies and misfolded aggregates. However, how starvation stress is sensed at the molecular level and leads to protein misfolding is poorly understood. TDP-43 is a vital protein, which, under stress-like conditions, associates with stress granule proteins via its functional nucleic-acid-binding domains (TDP-43(t)(RRM)) and misfolds to form aberrant aggregates. Here, we show that the monomeric N form of TDP-43(t)(RRM) forms a misfolded amyloid-like protein assembly, beta form, in a pH-dependent manner and identified the critical protein side-chain residue whose protonation triggers its misfolding. We systematically mutated the three buried ionizable residues, D105, H166, and H256, to neutral amino acids to block the pH-dependent protonation-deprotonation titration of their side chain and studied their effect on the N-to-beta transition. We observed that D105A and H2S6Q resembled TDP-43(t)(RRM) in their pH-dependent misfolding behavior. However, H166Q retains the N-like secondary structure under low-pH conditions and does not show pH-dependent misfolding to the beta form. These results indicate that H166 is the critical side-chain residue whose protonation triggers the misfolding of TDP-43(t)(RRM) and shed light on how stress-induced misfolding of proteins during neurodegeneration could begin from site-specific triggers.1 aPatni, Divya1 aJha, Santosh, Kumar uhttps://library.ncl.res.in/content/protonation-deprotonation-switch-controls-amyloid-misfolding-nucleic-acid-binding-domains04103nas a2200253 4500008004100000022001400041245015900055210006900214260000800283300001000291490000700301520318700308100002003495700002703515700002403542700002003566700002703586700002303613700002803636700002003664700001903684700002603703856012003729 2021 eng d a2576-989800aReactions of 2,3-dibromonaphthalene-1,4-dione and pyridyl amines: X-ray structures, DFT investigations, and selective detection of the Hg2+ and Ni2+ ions0 aReactions of 23dibromonaphthalene14dione and pyridyl amines Xray cFEB a78-930 v143 a

In this work, the products formed by the reaction between 2,3-dibromonaphthalene-1,4-dione with (pyridine-2-yl)methanamine and (pyridine-4-yl)methanamine are discussed in detial. The products 2-amino-3-bromonaphthalene-1,4-dione (A) and 2-aminonaphthalene-1,4-dione (B(1)) obtained are characterized through 1H and 13C-NMR, FTIR, mass spectrometry, single-crystal X-ray diffraction experiments, which are in conjunction with wB97X based density functional theory. compound A can effectively and selectively detect Hg2+ and Ni2+ ions, and proposes a potential mechanism of action.

1 aAggrwal, Gunjan1 aSalunke-Gawali, Sunita1 aGejji, Shridhar, P.1 aNikalje, Milind1 aChakravarty, Debamitra1 aVerma, Prakash, L.1 aGosavi-Mirkute, Prajkta1 aHarihar, Shital1 aJadhav, Mahesh1 aPuranik, Vedavati, G. uhttps://library.ncl.res.in/content/reactions-23-dibromonaphthalene-14-dione-and-pyridyl-amines-x-ray-structures-dft02420nas a2200265 4500008004100000245011300041210006900154260000800223300000600231490000700237520156200244653001401806653003101820653001401851653001301865653001301878653001101891653002401902100001901926700001901945700002601964700002201990700001902012856012302031 2021 eng d00aRepurposing the McoTI-II rigid molecular scaffold in to inhibitor of `papain superfamily' cysteine proteases0 aRepurposing the McoTIII rigid molecular scaffold in to inhibitor cJAN a70 v143 a

Clan C1A or `papain superfamily' cysteine proteases are key players in many important physiological processes and diseases in most living systems. Novel approaches towards the development of their inhibitors can open new avenues in translational medicine. Here, we report a novel design of a re-engineered chimera inhibitor Mco-cysteine protease inhibitor (CPI) to inhibit the activity of C1A cysteine proteases. This was accomplished by grafting the cystatin first hairpin loop conserved motif (QVVAG) onto loop 1 of the ultrastable cyclic peptide scaffold McoTI-II. The recombinantly expressed Mco-CPI protein was able to bind with micromolar affinity to papain and showed remarkable thermostability owing to the formation of multi-disulphide bonds. Using an in silico approach based on homology modelling, protein-protein docking, the calculation of the free-energy of binding, the mechanism of inhibition of Mco-CPI against representative C1A cysteine proteases (papain and cathepsin L) was validated. Furthermore, molecular dynamics simulation of the Mco-CPI-papain complex validated the interaction as stable. To conclude, in this McoTI-II analogue, the specificity had been successfully redirected towards C1A cysteine proteases while retaining the moderate affinity. The outcomes of this study pave the way for further modifications of the Mco-CPI design for realizing its full potential in therapeutics. This study also demonstrates the relevance of ultrastable peptide-based scaffolds for the development of novel inhibitors via grafting.

10aCathepsin10aClan CA cysteine proteases10acyclotide10acystatin10aMcoTI-II10apapain10aprotein engineering1 aMishra, Manasi1 aSingh, Vigyasa1 aTellis, Meenakshi, B.1 aJoshi, Rakesh, S.1 aSingh, Shailja uhttps://library.ncl.res.in/content/repurposing-mcoti-ii-rigid-molecular-scaffold-inhibitor-papain-superfamily-cysteine01585nas a2200253 4500008004100000022001400041245014100055210006900196260000800265300001100273490000800284520070400292653003200996653002201028653001601050653002701066653002001093653001501113100001601128700002401144700001601168700001801184856012901202 2021 eng d a0020-760800aResonance study: effect of partial triples excitation using complex absorbing potential-based Fock-space multi-reference coupled cluster0 aResonance study effect of partial triples excitation using compl cSEP ae267380 v1213 a

Resonances are metastable states with finite lifetime. They play important role in physics, chemistry and biology. The theoretical calculation of resonance state is a challenging problem. In this paper we have studied the shape resonance of Be, Mg, N-2 and CO. We have used correlated independent particle approximation to the Fock space multi-reference coupled cluster singles-doubles with third-order triples (CAP-CIP-FSMRCCSD(T)) method augmented by complex absorption potential. The resonance energy and decay widths are obtained by solving a non-Hermitian eigen-value problem within FSMRCC framework. The effects of the lowest order triples on the resonance energy and decay are studied.

10acomplex absorbing potential10aelectron affinity10aFock&\#820810anegative ion resonance10apartial triples10aspace MRCC1 aJana, Irina1 aBasumallick, Suhita1 aPal, Sourav1 aVaval, Nayana uhttps://library.ncl.res.in/content/resonance-study-effect-partial-triples-excitation-using-complex-absorbing-potential-based02033nas a2200229 4500008004100000022001400041245007100055210006900126260000900195300001100204490000800215520131000223653002201533653003601555653001401591653001601605653002501621100002101646700002501667700001801692856009301710 2021 eng d a0167-732200aReview of the recent progress on thermal conductivity of nanofluid0 aReview of the recent progress on thermal conductivity of nanoflu cSEP  a1169290 v3383 aThermal properties of nanofluids are very well investigated by the global research community for their various applications. The dispersion and stability of the nanoparticles in the base fluid are the essential requirements for the efficient utilization of nanofluids in many applications. The interfacial layer plays a crucial role in the dispersion, stability, and heat transfer properties of the nanofluid. The heat transfer property of the nanofluids is mainly influenced by the heat transfer properties at the particle-fluid interface. The thickness and thermal conductivity of the interfacial layer are the crucial factors that decide the heat transfer at the interface, and the difficulties in the determination of these factors limits the progress of the research. In this review article, the experimental studies on the thickness and thermal conductivity of the interfacial layer are reviewed briefly. The effect of interfacial the layer on the nanoscale mechanisms and thermophysical properties of nanofluids are reviewed. The effect of various tunable parameters on the heat transfer properties of the interfacial layer is also reviewed. This review will be beneficial for fine-tuning nanofluid's thermal properties and their commercial applications. (C) 2021 Elsevier B.V. All rights reserved.10aInterfacial layer10aInterfacial thermal conductance10aNanofluid10aSurfactants10aThermal conductivity1 aLenin, Ramanujam1 aJoy, Pattayil, Alias1 aBera, Chandan uhttps://library.ncl.res.in/content/review-recent-progress-thermal-conductivity-nanofluid01674nas a2200217 4500008004100000022001400041245007800055210006900133260000800202300001400210490000700224520100000231100001601231700001901247700001601266700001801282700001101300700002201311700001501333856010801348 2021 eng d a1463-926200aRoom-temperature quasi-catalytic hydrogen generation from waste and water0 aRoomtemperature quasicatalytic hydrogen generation from waste an cOCT a7528-75330 v233 aA solvation-driven catalyst-free H-2 generation system from water and various waste hydrosilanes at room temperature was developed, with good to quantitative H-2 yields in minutes. Using a green solvent is found to promote the strong coordination of proton carriers with hydrosilane to liberate H-2 based on molecular dynamics simulations. Theoretical calculations clarify that OH(-)in situ generated from H2O enabled by solvation is favorable for activating the Si-H species of hydrosilane, and the in situ formed Si-OH interacts more effectively with the adjacent remaining Si-H, both contributing to the overall enhanced H-2 generation. Moreover, the overall life-cycle impacts of the developed system are less than those of industrial H-2 production processes, especially in ozone layer depletion and abiotic depletion resources - fossil fuels. This protocol realizes the potential of efficiently producing H-2 from waste and water, and opens a new avenue to alleviate petroleum consumption.1 aWu, Hongguo1 aZhang, Li-Long1 aWang, Junqi1 aJiang, Yiyuan1 aLi, Hu1 aSudarsanam, Putla1 aYang, Song uhttps://library.ncl.res.in/content/room-temperature-quasi-catalytic-hydrogen-generation-waste-and-water09572nas a2200145 4500008004100000245011200041210006900153260000800222300001200230490000800242520900700250100002209257700002109279856012609300 2021 eng d00aSelective deoxygenation of fatty acids to fuel-range hydrocarbons over Pt-MOx/ZrO2 (M = Mo and W) catalysts0 aSelective deoxygenation of fatty acids to fuelrange hydrocarbons cSEP a174-1800 v3753 a

A comparative catalytic activity study of Pt-MoOx/ZrO2 and Pt-WOx/ZrO2 for deoxygenation of oleic acid (OA) forming fuel-range, linear hydrocarbons is reported. These catalysts (with 4 wt% Pt and 8 wt% Mo or W) were prepared by a sequential wet-impregnation method and characterized for the structural and electronic properties. Pt-MoOx/ZrO2 showed higher catalytic activity than Pt-WOx/ZrO2. Hydrodeoxygenation was the selective pathway over these bifunctional catalysts yielding n-octadecane. High conversion of OA was achieved at 200 °C itself. On the contrary, monometallic Pt/ZrO2 was weakly active. It was selective mainly toward decarboxylation/decarbonylation producing n-heptadecane. Higher amounts of Pt and metal oxide in reduced forms are responsible for the high hydrodeoxygenation activity and selectivity of these reusable, bimetallic catalysts.

1 aJanampelli, Sagar1 aDarbha, Srinivas uhttps://library.ncl.res.in/content/selective-deoxygenation-fatty-acids-fuel-range-hydrocarbons-over-pt-moxzro2-m-mo-and-w02392nas a2200241 4500008004100000022001400041245020900055210006900264260000900333490000800342520144800350100002801798700001701826700002001843700002801863700002001891700002601911700001801937700002101955700002501976700001702001856013202018 2021 eng d a1874-391900aSWATH-MS based quantitative proteomics analysis to evaluate the antileishmanial effect of Commiphora wightii- Guggul and amphotericin B on a clinical isolate of Leishmania donovani (vol 223, 103800, 2020)0 aSWATHMS based quantitative proteomics analysis to evaluate the a cFEB 0 v2323 a

Drug resistance and relapse after treatment of visceral leishmaniasis (VL) with the chemotherapeutic drugs has impeded the VL elimination programme especially, in the endemic region of Bihar, India. Currently, Antimonials (Sbv) have been rendered obsolete (Bihar) as frequent treatment failure and relapse in Sbv treated patient's warrants greater vigilance and attention to the limited drugs. A clinical isolate of L.donovani obtained from an Amphotericin B (AmB) relapse patient was evaluated for its susceptibility to AmB and a hyperlipidemic drug Guggul. The evaluation of susceptibility or resistance to any drug still relies on in vitro assay on promastigote and amastigote stages of Leishmania spp. as there are no validated markers which can ascertain drug resistance in Leishmania. The anti-promastigote effect of AmB and Guggul were demonstrated by significant cellular and morphological changes exhibiting apoptosis-mediated cell death. To further illustrate the molecular mechanism of the parasite's response upon exposure to either AmB and Guggul, sequential window acquisition of all theoretical fragment ion spectra mass spectrometry (SWATH-MS) for quantitative proteomics analysis was performed along with computational data analysis; revealing considerable differences in the proteome profiles which could be regarded as putative markers for resistance or drug targets for development of therapeutic antileishmanials.

1 aBar Routaray, Chinmayee1 aBhor, Renuka1 aBai, Shakuntala1 aKadam, Nitin, Suryakant1 aJagtap, Surabhi1 aDoshi, Pooja, Jignesh1 aSundar, Shyam1 aSawant, Sangeeta1 aKulkarni, Mahesh, J.1 aPai, Kalpana uhttps://library.ncl.res.in/content/swath-ms-based-quantitative-proteomics-analysis-evaluate-antileishmanial-effect-commiphora-001129nas a2200241 4500008004100000022001400041245007400055210006900129260000900198300001400207490000900221520036100230653001800591653001500609653002300624653001600647100002700663700002300690700001900713700002800732700002100760856010600781 2021 eng d a1434-193X00aSynthesis and biological evaluation of hoshionolactam-based compounds0 aSynthesis and biological evaluation of hoshionolactambased compo cAPR  a2212-22180 v20213 aIn search of novel antitrypanosomal agents based on hoshinolactam (IC50=3.9 nM), we disclose the synthesis and biological evaluations of 14 different analogues of the natural product using combinations of different acids and lactams. Antitrypanosomal activity assays revealed that the synthesized analogues were less potent than the parent natural product.10aHoshinolactam10aOzonolysis10aParasitic diseases10aTrypanosoma1 aJachak, Gorakhnath, R.1 aElizebath, Drishya1 aShukla, Anurag1 aShanmugam, Dhanasekaran1 aReddy, Srinivasa uhttps://library.ncl.res.in/content/synthesis-and-biological-evaluation-hoshionolactam-based-compounds01285nas a2200217 4500008004100000245010300041210006900144260000900213300001400222490000700236520056200243100001300805700001800818700001800836700002100854700001800875700002000893700001600913700002500929856011300954 2021 eng d00aSynthesis, crystal structures, dielectric and magnetic properties of manganese sulfonyldibenzoates0 aSynthesis crystal structures dielectric and magnetic properties  cOCT  a6703-67230 v233 a{A systematic investigation of the system manganese(II) salt-H(2)SBA-auxiliary ligand-solvent successfully led to the isolation of six new multidimensional coordination polymers: [Mn-5(2-pic)(2)(DMA)(4)(SBA)(4)]center dot 4DMA (1), [Mn-3(pyzc)(2)(DMF)(H2O)(SBA)(2)]center dot DMF center dot H2O (2), [Mn-5(pyzc)(2)(DMA)(4)(SBA)(4)]center dot 4DMA (3), [Mn-5(mpyzc)(2)(DMA)(4)(SBA)(4)]center dot 4DMA (4), [Mn-2(phen)(2)(H2O)(SBA)(2)]center dot 2DMA (5) and [Mn-3(phen)(2)(SBA)(3)]center dot 5DMF (6), where SBA = 4,4'-sulfonyldibenzoate 2-pic = 2-picolinate1 aBalendra1 aSingh, Bharti1 aBanday, Azeem1 aTewari, Shailabh1 aKumar, Vineet1 aMurugavel, Sevi1 aJoy, P., A.1 aRamanan, Arunachalam uhttps://library.ncl.res.in/content/synthesis-crystal-structures-dielectric-and-magnetic-properties-manganese01476nas a2200229 4500008004100000022001400041245010200055210006900157260000900226300001400235490000700249520067700256100001900933700003100952700003000983700001901013700002701032700000501059700002701064700002501091856013001116 2021 eng d a1359-734500aSynthetic heparan sulfate ligands for vascular endothelial growth factor to modulate angiogenesis0 aSynthetic heparan sulfate ligands for vascular endothelial growt cAPR  a3516-35190 v573 a

We report the discovery of a potential heparan sulfate (HS) ligand to target several growth factors using 13 unique HS tetrasaccharide ligands. By employing an HS microarray and SPR, we deciphered the crucial structure-binding relationship of these glycans with the growth factors BMP2, VEGF(165), HB-EGF, and FGF2. Notably, GlcNHAc(6-O-SO3-)-IdoA(2-O-SO3-) (HT-2,6S-NAc) tetrasaccharide showed strong binding with the VEGF(165) growth factor. In vitro vascular endothelial cell proliferation, migration and angiogenesis was inhibited in the presence of VEGF(165) and HT-2,6S-NAc or HT-6S-NAc, revealing the potential therapeutic role of these synthetic HS ligands.

1 aJain, Prashant1 aShanthamurthy, Chethan, D.1 aBen-Arye, Shani, Leviatan1 aYehuda, Sharon1 aNandikol, Sharvani, S.1 a1 aPadler-Karavani, Vered1 aKikkeri, Raghavendra uhttps://library.ncl.res.in/content/synthetic-heparan-sulfate-ligands-vascular-endothelial-growth-factor-modulate-angiogenesis02370nas a2200205 4500008004100000022001400041245009300055210006900148260000900217300001400226490000600240520166800246100002801914700002601942700001701968700002201985700001802007700001802025856012102043 2021 eng d a2058-988300aTuning the selectivity of CO2 hydrogenation using ceramic hollow fiber catalytic modules0 aTuning the selectivity of CO2 hydrogenation using ceramic hollow cSEP  a1655-16650 v63 aThe unique structural features and advantageous pore distributions of alumina hollow fibers can be exploited to tune the selectivity in heterogeneous catalysis. Formation of a finger-like cavity structure is the unique characteristic of the phase inversion method, which provides a larger surface area to volume ratio desirable for catalytic reactions. This feature, along with a highly porous sandwiched skin layer, makes this architecture superior to conventional powder catalysts or other structured catalyst forms like monoliths. Alumina hollow fibers are prepared by the modified phase inversion method and characterized for their pore size and distribution. Ni metal nanoparticles are uniformly deposited in the Al2O3 hollow fibers to prepare a Ni/Al2O3 catalyst and tested for the CO2 methanation reaction. Suitable reactor and catalyst loading methods are designed and optimized to achieve higher CO2 to methane conversion in a temperature range of 225 to 400 degrees C. The alpha-alumina phase, which is usually reported to be a poor support for Ni in CO2 methanation in the conventional fixed bed configuration, showed high activity when modulated as hollow fibers. Also, the selectivity to CH4 is enhanced and minimal CO formation is observed. The kinetic rate expressions are simulated for the prediction of methane and CO gas evolution at the outlet with temperature. The experimental results for the gas composition are in good agreement with the model predictions. The advantage of such a module reactor is explained based on the mass transfer limitations and consequently the reaction time constants arrived at from the predicted gas compositions.1 aJogdand, Shunottara, M.1 aBedadur, Prachiti, R.1 aTorris, Arun1 aKharul, Ulhas, K.1 aNaidu, Satyam1 aDevi, Nandini uhttps://library.ncl.res.in/content/tuning-selectivity-co2-hydrogenation-using-ceramic-hollow-fiber-catalytic-modules03932nas a2200157 4500008004100000245014500041210006900186260000800255300001100263490000700274520331900281100001303600700001603613700001803629856012703647 2021 eng d00aUnprecedented stability in Au@Co core-shell bimetallic catalyst supported on SBA-15 (Au@Co/SBA-15) for atmospheric pressure CO hydrogenation0 aUnprecedented stability in AuCo coreshell bimetallic catalyst su cSEP a1000680 v133 a

Bimetallic nanoparticles demonstrating synergistic effect (electronic or geometric modification) often show distinct chemical and physical properties compared with the parent metals. In catalysis, this provides opportunities to engineer solid materials with appreciable activity, selectivity, and stability. In the present study, we have synthesized Au@Co core–shell bimetallic nanoparticles by colloidal synthesis approach with a focus to study and explore the synergistic effect between Au and Co in Au@Co bimetallic catalyst supported on SBA-15 on Fischer Tropsch (FT) reaction. The deactivation of catalyst is a significant drawback in CO hydrogenation (syngas conversion/FT synthesis), and the present study provides the design of a new material, which resists the surface cobalt oxide formation and inactive coke formation and gives efficient CO conversion with high stability.

1 aJain, P.1 aChimote, M.1 aVinod, C., P. uhttps://library.ncl.res.in/content/unprecedented-stability-auco-core-shell-bimetallic-catalyst-supported-sba-15-aucosba-1503923nas a2200169 4500008004100000245010000041210006900141260000800210300001000218490000700228520332200235100002003557700001803577700001703595700001803612856012303630 2021 eng d00aUraria picta: a comprehensive review on evidences of utilization and strategies of conservation0 aUraria picta a comprehensive review on evidences of utilization  cAPR a41-480 v133 a

Uraria picta (Jacq.) DC. (Prishnaparni) is one of the most important medicinal plants used in different traditional systems of medicines including the Ayurveda and Traditional Chinese medicine. The major use of this plant was found in the most popular Ayurvedic formulation “Dashmula” and in several many other important Ayurvedic formulations. IUCN placed this woody herb in the least concern category as per version 3.1. It has extensive therapeutic uses and pharmacological activities. Though this plant is a source of many phytochemicals, the uses are uncertain because the raw plant parts or crude extracts are being used in all formulations. Therefore, extensive investigations are necessary to focus on the identification of these phytochemicals. It is an urgent need to give special attention to collecting various aspects and more efforts are required in all areas for utilization and conservation of this valuable medicinal herb. Herein, a compilation of all information with various aspects has been presented, including the authors published work on Uraria picta. This review pursues attention towards biological activity, phytochemical profile, utilization, propagation and conservation of Uraria picta.

1 aBhusare, B., P.1 aAhire, M., L.1 aJohn, C., K.1 aNikam, T., D. uhttps://library.ncl.res.in/content/uraria-picta-comprehensive-review-evidences-utilization-and-strategies-conservation00660nas a2200181 4500008004100000022001400041245009900055210006900154260000800223300000800231490000700239100002500246700001900271700001900290700002000309700001800329856013100347 2021 eng d a0175-757100aWater mediated allosteric network in beta 2AR T164I variant modulates agonist binding affinity0 aWater mediated allosteric network in beta 2AR T164I variant modu cJUL a1620 v501 aNikte, Siddhanta, V.1 aSonar, Krushna1 aTandale, Aditi1 aSengupta, Durba1 aJoshi, Manali uhttps://library.ncl.res.in/content/water-mediated-allosteric-network-beta-2ar-t164i-variant-modulates-agonist-binding-affinity02884nas a2200409 4500008004100000022001400041245012200055210006900177260000800246300001400254490000800268520160500276653001201881653002701893653003601920653002501956653001101981100002701992700001902019700002002038700002002058700001902078700002102097700002302118700001602141700001702157700001602174700001602190700002002206700002602226700002202252700002102274700002002295700001702315700001902332856012302351 2022 eng d a0028-646X00a2-oxoglutarate-dependent dioxygenases drive expansion of steroidal alkaloid structural diversity in the genus Solanum0 a2oxoglutaratedependent dioxygenases drive expansion of steroidal cMAY a1394-14100 v2343 a

Solanum steroidal glycoalkaloids (SGAs) are renowned defence metabolites exhibiting spectacular structural diversity. Genes and enzymes generating the SGA precursor pathway, SGA scaffold and glycosylated forms have been largely identified. Yet, the majority of downstream metabolic steps creating the vast repertoire of SGAs remain untapped. Here, we discovered that members of the 2-OXOGLUTARATE-DEPENDENT DIOXYGENASE (2-ODD) family play a prominent role in SGA metabolism, carrying out three distinct backbone-modifying oxidative steps in addition to the three formerly reported pathway reactions. The GLYCOALKALOID METABOLISM34 (GAME34) enzyme catalyses the conversion of core SGAs to habrochaitosides in wild tomato S. habrochaites. Cultivated tomato plants overexpressing GAME34 ectopically accumulate habrochaitosides. These habrochaitoside enriched plants extracts potently inhibit Puccinia spp. spore germination, a significant Solanaceae crops fungal pathogen. Another 2-ODD enzyme, GAME33, acts as a desaturase (via hydroxylation and E/F ring rearrangement) forming unique, yet unreported SGAs. Conversion of bitter alpha-tomatine to ripe fruit, nonbitter SGAs (e.g. esculeoside A) requires two hydroxylations; while the known GAME31 2-ODD enzyme catalyses hydroxytomatine formation, we find that GAME40 catalyses the penultimate step in the pathway and generates acetoxy-hydroxytomatine towards esculeosides accumulation. Our results highlight the significant contribution of 2-ODD enzymes to the remarkable structural diversity found in plant steroidal specialized metabolism.

10aSolanum10aspecialized metabolism10asteroidal glycoalkaloids (SGAs)10astructural diversity10aTomato1 aSonawane, Prashant, D.1 aJozawiak, Adam1 aBarbole, Ranjit1 aPanda, Sayantan1 aAbebie, Bekele1 aKazachkova, Yana1 aGharat, Sachin, A.1 aRamot, Ofir1 aUnger, Tamar1 aWizler, Guy1 aMeir, Sagit1 aRogachev, Ilana1 aDoron-Faigenboim, Adi1 aPetreikov, Marina1 aSchaffer, Arthur1 aGiri, Ashok, P.1 aScherf, Tali1 aAharoni, Asaph uhttps://library.ncl.res.in/content/2-oxoglutarate-dependent-dioxygenases-drive-expansion-steroidal-alkaloid-structural01761nas a2200241 4500008004100000022001400041245010700055210006900162260000800231300001400239490000700253520094400260653002101204653001701225653001601242100002801258700002601286700001701312700001801329700002201347700001801369856013201387 2022 eng d a1546-542X00aAddressing challenges in sealing of scalable multifiber module for O-2 enrichment using LSCF membranes0 aAddressing challenges in sealing of scalable multifiber module f cMAY a1561-15710 v193 a

Scalable and multifiber modules in oxygen separation face huge challenges due to difficulty in integrating all the necessary components, especially in sealing the fibers in a gas tight module. Here, we report our findings on design and fabrication of a multifiber La0.6Sr0.4Co0.2Fe0.8O3-delta (LSCF)-based module, which can be scaled up. The focus is on sealing ceramic-metal interfaces by layering of sealants of varying thermal properties. We have also incorporated the use of dead ended fibers to minimize ceramic-metal interfaces in the hot zones and present a new method for dead ending by flame melting. Pressurizing the air inlet feed from either bore side or shell side is detrimental to the structural integrity of the fibers. A thorough characterization of the fresh and spent fibers is also carried out using X-ray tomography and electron microscopy, which indicates effect of temperature and pressure on the fibers.

10aCharacterization10apermeability10aPerovskites1 aJogdand, Shunottara, M.1 aBedadur, Prachiti, R.1 aTorris, Arun1 aAgrawal, Ravi1 aKharul, Ulhas, K.1 aDevi, Nandini uhttps://library.ncl.res.in/content/addressing-challenges-sealing-scalable-multifiber-module-o-2-enrichment-using-lscf-membranes02385nas a2200349 4500008004100000245014400041210006900185260000800254300001100262490000600273520123500279653001301514653002401527653001401551653003401565653001301599653001401612653002201626653004301648653001801691100001601709700002301725700001801748700003301766700001701799700001601816700002401832700001701856700001601873700001801889856012801907 2022 eng d00aBESFA: bioinformatics based evolutionary, structural & functional analysis of prostate, Placenta, Ovary, Testis, and Embryo (POTE) paralogs0 aBESFA bioinformatics based evolutionary structural functional an cSEP ae104760 v83 a

The POTE family comprises 14 paralogues and is primarily expressed in Prostate, Placenta, Ovary, Testis, Embryo (POTE), and cancerous cells. The prospective function of the POTE protein family under physiological conditions is less understood. We systematically analyzed their cellular localization and molecular docking analysis to elucidate POTE proteins' structure, function, and Adaptive Divergence. Our results suggest that group three POTE paralogs (POTEE, POTEF, POTEI, POTEJ, and POTEKP (a pseudogene)) exhibits significant variation among other members could be because of their Adaptive Divergence. Furthermore, our molecular docking studies on POTE protein revealed the highest binding affinity with NCI-approved anticancer compounds. Additionally, POTEE, POTEF, POTEI, and POTEJ were subject to an explicit molecular dynamic simulation for 50ns. MM-GBSA and other essential electrostatics were calculated that showcased that only POTEE and POTEF have absolute binding affinities with minimum energy exploitation. Thus, this study's outcomes are expected to drive cancer research to successful utilization of POTE genes family as a new biomarker, which could pave the way for the discovery of new therapies.

10a(MMGBSA)10aAdaptive divergence10aEvolution10ageneralized born surface area10aHomology10aMechanics10aMolecular docking10aMolecular dynamic simulation molecular10aPOTE paralogs1 aQazi, Sahar1 aJit, Bimal, Prasad1 aDas, Abhishek1 aKarthikeyan, Muthukumarasamy1 aSaxena, Amit1 aRay, M., D.1 aSingh, Angel, Rajan1 aRaza, Khalid1 aJayaram, B.1 aSharma, Ashok uhttps://library.ncl.res.in/content/besfa-bioinformatics-based-evolutionary-structural-functional-analysis-prostate-placenta02108nas a2200169 4500008004100000022001400041245011900055210006900174260000900243300001400252490000600266520148100272100001901753700001701772700001801789856013101807 2022 eng d a2058-988300aCharacterization of axial dispersion in a vertical helical coil for gas-liquid-liquid flow at low Reynolds numbers0 aCharacterization of axial dispersion in a vertical helical coil  cMAY  a1083-10950 v73 a

Gas-liquid-liquid (GLL) slug flow reactors offer several advantages like higher interfacial area, excellent mass transfer, and lower backmixing. Mesoscale (diameter similar to a few mm) helical coiled reactors operating in a slug flow regime can be used as GLL reactors even for reactions with long residence times. The long residence time invariably leads to low Reynolds number flows, which makes the backmixing or axial dispersion an important parameter influencing reactor performance. In this work, we have characterized the residence time distribution (RTD) and axial dispersion for single, gas-liquid, liquid-liquid, and gas-liquid-liquid flows through a vertical helical coil. Slow flows with low Reynolds numbers (<100) were considered. RTD measurements were carried out with a step input and the outlet concentration was tracked by measuring light absorbance using a spectrophotometer. The applicability of the axial dispersion model was examined and verified for the studied systems. The axial dispersion was quantified in terms of dispersion coefficients. A significant reduction in the axial dispersion was observed by virtue of multiphase operation, in the order single > gas-liquid > liquid-liquid > gas-liquid-liquid flow. This characterization of backmixing for multiphase flows in curved geometries will be helpful in the optimization of slow reactions in flow and also for processes like nanoparticle synthesis, crystallization, etc.

1 aKhan, Muzammil1 aJoshi, Sunil1 aRanade, Vivek uhttps://library.ncl.res.in/content/characterization-axial-dispersion-vertical-helical-coil-gas-liquid-liquid-flow-low-reynolds11345nas a2200157 45000080041000002450092000412100069001332600008002023000011002104900006002215201076200227100002410989700002611013700002511039856012311064 2022 eng d00aCobalt-immobilized carbon-based nano-catalyst for Csingle bondN cross coupling reaction0 aCobaltimmobilized carbonbased nanocatalyst for Csingle bondN cro cJAN a1006820 v43 a

Csingle bondcross coupling reaction is very important in synthesis of pharmaceuticals, natural productsagrochemicals, fine chemicals and functional materials. Traditionally, palladium or copper metals are used for Csingle bondN coupling reaction. As palladium is expensive, we developed cobalt immobilized carbon-based nano-catalyst Co@CC for Csingle bondN coupling. In this work, we synthesized non-noble metal-based Co@CC nano-catalyst by carbonization of glucose, it’s functionalization followed by immobilization of cobalt on the surface of the catalyst. The catalyst was well characterized. The Csingle bondN cross coupling reaction of various aryl halides & amines using Co@CC nano-catalyst was optimized for solvent, reaction temperature & catalyst concentration conditions. The catalyst showed high catalytic activity for Csingle bondN coupling of various aryl halides & amines to form aryl amines in good to excellent yield up to 91 % in sulfolane as a solvent at 150 °C. The catalyst showed recyclability up to 5 times. The method developed for Csingle bondN coupling reaction was noble metal free, ligand free, recyclable, sustainable, economical & environmentally friendly.

1 aBankar, Shubham, R.1 aKirdant, Swapnali, P.1 aJadhav, Vrushali, H. uhttps://library.ncl.res.in/content/cobalt-immobilized-carbon-based-nano-catalyst-csingle-bondn-cross-coupling-reaction02574nas a2200229 4500008004100000022001400041245012000055210006900175260000900244300001200253490000700265520175800272100001802030700002102048700002902069700001802098700002702116700001502143700002902158700002502187856013202212 2022 eng d a2040-336400aCombinatorial therapy using RNAi and curcumin nano-architectures regresses tumors in breast and colon cancer models0 aCombinatorial therapy using RNAi and curcumin nanoarchitectures  cJAN  a492-5050 v143 aCancer is a debilitating disease and one of the leading causes of death in the world. In spite of the current clinical management being dependent on applying robust pathological variables and well-defined therapeutic strategies, there is an imminent need for novel and targeted therapies with least side effects. RNA interference (RNAi) has gained attention due to its precise potential for targeting multiple genes involved in cancer progression. Nanoparticles with their enhanced permeability and retention (EPR) effect have been found to overcome the limitations of RNAi-based therapies. With their high transportation capacity, nanocarriers can target RNAi molecules to tumor tissues and protect them from enzymatic degradation. Accumulating evidence has shown that tyrosine kinase Ephb4 is overexpressed in various cancers. Therefore, we report here the development and pre-clinical validation of curcumin-chitosan-loaded: eudragit-coated nanocomposites conjugated with Ephb4 shRNA as a feasible bio-drug to suppress breast and colon cancers. The proposed bio-drug is non-toxic and bio-compatible with a higher uptake efficiency and through our experimental results we have demonstrated the effective site-specific delivery of this biodrug and the successfull silencing of their respective target genes in vivo in autochthonous knockout models of breast and colon cancer. While mammary tumors showed a considerable decrease in size, oral administration of the biodrug conjugate to Apc knockout colon models prolonged the animal survival period by six months. Hence, this study has provided empirical proof that the combinatorial approach involving RNA interference and nanotechnology is a promising alliance for next-generation cancer therapeutics.1 aKumar, Aviral1 aSingam, Amarnath1 aSwaminathan, Guruprasadh1 aKilli, Naresh1 aTangudu, Naveen, Kumar1 aJose, Jedy1 aGundloori, Rathna, V. N.1 aKumar, Lekha, Dinesh uhttps://library.ncl.res.in/content/combinatorial-therapy-using-rnai-and-curcumin-nano-architectures-regresses-tumors-breast-and07987nas a2200157 4500008004100000245011600041210006900157260000800226300001100234490000700245520739300252100001907645700001907664700001707683856012907700 2022 eng d00aComparison of hydrodynamic characteristics of Tulsion and Siran immobilised beads in a fluidised bed bioreactor0 aComparison of hydrodynamic characteristics of Tulsion and Siran  cAUG a1024280 v433 a

The fluidised bed reactors are successfully utilised in various bioprocesses to produce high value products using immobilised cells and enzymes. The present work aims at evaluating hydrodynamic characteristics of a three phase fluidised bed bioreactor using Tulsion® A-1X MP, Tulsion® ADS-400 and Tulsion® ADS-800, polystyrene and polyacrylic based three types of free and immobilised cells solid carriers viz. and comparing their performance with Siran® SIKUG41 glass beads. The hydrodynamic parameters such as particle density (cells and beads), drag coefficient, minimum and maximum fluidisation velocity, particle settling velocity were estimated and compared in water and biological media (E2 and MSM) having varying rheological properties. The relationships between drag coefficient (CD)–Reynolds numbers (NRe), superficial liquid velocity (Uf)–void fraction(ε), expansion index(n)–NRe were obtained.

1 aKashid, Shweta1 aJoshi, Kalpana1 aNene, Sanjay uhttps://library.ncl.res.in/content/comparison-hydrodynamic-characteristics-tulsion-and-siran-immobilised-beads-fluidised-bed01229nas a2200205 4500008004100000022001400041245011300055210006900168260000800237300001400245490000700259520049900266100001900765700001600784700002100800700001800821700003000839700002400869856013000893 2022 eng d a1359-734500aConcerted effect of Ni-in and S-out on ReS2 nanostructures towards high-efficiency oxygen evolution reaction0 aConcerted effect of Niin and Sout on ReS2 nanostructures towards cMAR a3689-36920 v583 a

Herein, a one-step hydrothermal reaction is developed to synthesize a Ni-doped ReS2 nanostructure with sulphur defects. The material exhibited excellent OER activity with a current density of 10 mA cm(-2) at an overpotential of 270 mV, a low Tafel slope of 31 mV dec(-1), and good long-term durability of 10 h in 1 M KOH. It shows high faradaic efficiency of 96%, benefiting from the rapid charge transfer caused by the concerted effect of Ni-in and S-out on the ReS2 nanostructure.

1 aDas, Tapas, K.1 aPing, Tapan1 aMohapatra, Manoj1 aAnwar, Shahid1 aGopinath, Chinnakonda, S.1 aJena, Bikash, Kumar uhttps://library.ncl.res.in/content/concerted-effect-ni-and-s-out-res2-nanostructures-towards-high-efficiency-oxygen-evolution01671nas a2200229 4500008004100000022001400041245006500055210006500120260000800185300001100193490000800204520095300212653002301165653001801188653001901206653002801225653002401253100001901277700002301296700002501319856009701344 2022 eng d a0304-885300aControlled exchange bias behavior of manganese nanoparticles0 aControlled exchange bias behavior of manganese nanoparticles cOCT a1695040 v5593 a

Mn(0) colloids were synthesized by solvated metal atom dispersion approach utilizing hexadecylamine, toluene, and THF as coordinating ligands. Mn-toluene and Mn-THF nanoparticles were found to be highly pyrophoric in nature and demand careful handling whereas, Mn-HDA nanoparticles undergo slow oxidation. TEM micrographs revealed formation of nanoparticles between 3 and 6 nm. Magnetic studies of these three samples displayed shift in the field-cooled M-H hysteresis loop which has been attributed to exchange bias behavior. The exchange bias field, HE measured at 5 K varies with change in coordinating ligands around the Mn center which are 1217 Oe, 4408 Oe and, 6350 Oe for Mn-HDA, Mn-toluene and Mn-THF nanoparticles, respectively. The large exchange bias field has been attributed to the presence of uncompensated antiferromagnetic surface spins and the exchange interactions at the nanoparticle surface due to surface oxidation.

10aAntiferromagnetism10aexchange bias10aFerromagnetism10aManganese nanoparticles10aUncompensated spins1 aTiwari, Garima1 aVinod, Prabhakaran1 aJagirdar, Balaji, R. uhttps://library.ncl.res.in/content/controlled-exchange-bias-behavior-manganese-nanoparticles02359nas a2200241 4500008004100000022001400041245012700055210006900182260000800251300001200259490000700271520148100278653002801759653004101787653002201828100002401850700001901874700002901893700002101922700002301943700001901966856013201985 2022 eng d a0272-439100aConventional and microwave-assisted organic synthesis of novel antimycobacterial agents bearing furan and pyridine hybrids0 aConventional and microwaveassisted organic synthesis of novel an cAPR a416-4310 v833 a

Drug resistance in tuberculosis poses a serious threat to humanity because currently available antitubercular drugs are ineffective against Mycobacterium tuberculosis (M. tuberculosis). As a result, the approval of Bedaquiline and Delamanid for the treatment of drug-resistant tuberculosis was accelerated. Still, there is an urgent need to search for new antitubercular drugs with novel mechanisms of action (MoA). Due to this, we have designed a synthetic strategy by utilizing microwave-assisted organic synthesis. We have compared our method with the conventional procedure, and the data show that our procedure is more effective in the preparation of title compounds. A unique series of 1-(2-(furan-2-yl)-5-(pyridin-4-yl)-1,3,4-oxadiazol-3(2H)-yl)-3-(aryl)-pr op-2-en-1-ones (5a-o) was synthesized utilizing conventional and microwave-assisted techniques. Synthetic compounds were investigated for antitubercular activity against Mycobacterium TB H37Ra and Mycobacterium bovis (M. bovis). Compound 5b was reported to be the most effective against M. tuberculosis H37Ra (97.69 percent inhibition at 30 mu g/ml) and M. bovis (97.09 percent inhibition at 30 mu g/ml). An in silico binding affinity study of mycobacterial enoyl-acyl carrier protein reductase (InhA) reveals the binding mechanism and thermodynamic interactions that determine these molecule's binding affinity. Compound 5b had a high glide score of -8.991 and low glide energy of -49.893 kcal/mol.

10aAntitubercular activity10amicrowave-assisted organic synthesis10aMolecular docking1 aDesai, Nisheeth, C.1 aBhatt, Kandarp1 aJadeja, Dharmpalsinh, J.1 aMehta, Harsh, K.1 aKhedkar, Vijay, M.1 aSarkar, Dhiman uhttps://library.ncl.res.in/content/conventional-and-microwave-assisted-organic-synthesis-novel-antimycobacterial-agents-bearing02369nas a2200289 4500008004100000022001400041245013700055210006900192260000800261300001400269490000700283520140400290653001901694653002501713653001501738653000601753653001801759653003101777653001901808100001901827700001901846700002601865700002201891700002401913700001901937856012301956 2022 eng d a0739-110200aCyclic peptide engineered from phytocystatin inhibitory hairpin loop as an effective modulator of falcipains and potent antimalarial0 aCyclic peptide engineered from phytocystatin inhibitory hairpin  cMAY a3642-36540 v403 a

Cystatins are classical competitive inhibitors of C1 family cysteine proteases (papain family). Phytocystatin superfamily shares high sequence homology and typical tertiary structure with conserved glutamine-valine-glycine (Q-X-V-X-G) loop blocking the active site of C1 proteases. Here, we develop a cysteine-bounded cyclic peptide (CYS-cIHL) and linear peptide (CYS-IHL), using the conserved inhibitory hairpin loop amino acid sequence. Using an in silico approach based on modeling, protein-peptide docking, molecular dynamics simulations and calculation of free energy of binding, we designed and validated inhibitory peptides against falcipain-2 (FP-2) and -3 (FP-3), cysteine proteases from the malarial parasite Plasmodium falciparum. Falcipains are critical hemoglobinases of P. falciparum that are validated targets for the development of antimalarial therapies. CYS-cIHL was able to bind with micromolar affinity to FP-2 and modulate its binding with its substrate, hemoglobin in in vitro and in vivo assays. CYS-cIHL could effectively block parasite growth and displayed antimalarial activity in culture assays with no cytotoxicity towards human cells. These results indicated that cyclization can substantially increase the peptide affinity to the target. Furthermore, this can be applied as an effective strategy for engineering peptide inhibitory potency against proteases.

10aCyclic peptide10afalcipain inhibitors10afalciparum10aP10aPhytocystatin10aprotein interaction mimics10aprotein&\#82111 aMishra, Manasi1 aSingh, Vigyasa1 aTellis, Meenakshi, B.1 aJoshi, Rakesh, S.1 aPandey, Kailash, C.1 aSingh, Shailja uhttps://library.ncl.res.in/content/cyclic-peptide-engineered-phytocystatin-inhibitory-hairpin-loop-effective-modulator01877nas a2200325 4500008004100000022001400041245012700055210006900182260000900251300001200260490000700272520080700279653002201086653001501108653001601123653001101139653001501150100002201165700001901187700002801206700002301234700002901257700002101286700002401307700002201331700002101353700002701374700002301401856012701424 2022 eng d a0039-791100aDesign, synthesis of anticancer and anti-inflammatory 4-(1-methyl-1H-indol-3-yl)-6-(methylthio) pyrimidine-5-carbonitriles0 aDesign synthesis of anticancer and antiinflammatory 41methyl1Hin cMAR  a733-7440 v523 a

A novel series of 4-(1-methyl-1H-indol-3-yl)-6-(methylthio) pyrimidine-5-carbonitriles (4a-i) was synthesized and evaluated for anticancer potential against cell lines for breast cancer. Compounds 4b, 4e, and 4h exhibited prominent cytotoxicity against human breast carcinoma MCF-7 cell line with GI(50 )of 2.0, 0.5, and 0.5 mu M, respectively. Molecular docking study against EGFR tyrosine kinase could provide valuable insights into the plausible mechanism of action. The compounds could bind with significantly high binding affinity and their binding affinity scores could correlate well with the observed anticancer activity. Furthermore, compounds 4a, 4c, 4e, 4g, and 4i exhibited significant inflammatory activities as well which could expand the therapeutic domain of this novel series.

10aAnti-inflammatory10aAnticancer10aAntioxidant10aIndole10apyrimidine1 aBhale, Pravin, S.1 aChavan, Hemant1 aShringare, Sadanand, N.1 aKhedkar, Vijay, M.1 aTigote, Radhakrishna, M.1 aMali, Nikita, N.1 aJadhav, Tukaram, D.1 aKamble, Nitin, B.1 aKolat, Swati, P.1 aBandgar, Babasaheb, P.1 aPatil, Harshal, S. uhttps://library.ncl.res.in/content/design-synthesis-anticancer-and-anti-inflammatory-4-1-methyl-1h-indol-3-yl-6-methylthio02277nas a2200337 4500008004100000022001400041245011600055210006900171260000800240300001400248490000700262520120700269653000601476653000601482653002101488653001101509653003001520653002801550653003101578100001801609700001701627700002501644700002401669700001701693700002301710700002401733700002201757700002201779700001901801856011901820 2022 eng d a1381-199100aDetection of a target protein (GroEl2) in Mycobacterium tuberculosis using a derivative of 1,2,4-triazolethiols0 aDetection of a target protein GroEl2 in Mycobacterium tuberculos cOCT a2535-25480 v263 a

Herein, we identified a potent lead compound RRA2, within a series of 54 derivatives of 1,2,4-triazolethiols (exhibit good potency as an anti-mycobacterial agents) against intracellular Mycobacterium tuberculosis (Mtb). Compound RRA2 showed significant mycobactericidal activity against active stage Mycobacterium bovis BCG and Mtb with minimum inhibitory concentration (MIC) values of 2.3 and 2.0 mu g/mL, respectively. At MIC value, RRA2 compound yielded 0.82 log reduction of colony-forming unit (cfu) against non-replicating Mtb. Furthermore, RRA2 compound was selected for further target identification due to the presence of alkyne group, showing higher selectivity index (> 66.66 +/- 0.22, in non-replicating stage). Using ``click'' chemistry, we synthesized the biotin linker-RRA2 conjugate, purified with HPLC method and confirmed the conjugation of biotin linker-RRA2 complex by HR-MS analysis. Furthermore, we successfully pulled down and identified a specific target protein GroEl2, from Mtb whole-cell extract. Furthermore, computational molecular modeling indicated RRA2 could interact with GroEl2, which explains the structure-activity relationship observed in this study.

10a110a210a4-triazolethiols10aGroEl210aMycobactericidal activity10aMycobacterium bovis BCG10aMycobacterium tuberculosis1 aSarkar, Sampa1 aSwami, Sagar1 aSoni, Sarvesh, Kumar1 aHolien, Jessica, K.1 aKhan, Arshad1 aKorwar, Arvind, M.1 aLikhite, Anjali, P.1 aJoshi, Ramesh, A.1 aJoshi, Rohini, R.1 aSarkar, Dhiman uhttps://library.ncl.res.in/content/detection-target-protein-groel2-mycobacterium-tuberculosis-using-derivative-12401735nas a2200241 4500008004100000022001400041245012200055210006900177260000800246300001500254490000900269520086800278653002201146653001901168653003501187653002401222653002401246653002701270100002201297700002101319700002101340856013201361 2022 eng d a1434-193X00aDivergent annulation of spiro[indoline-pyran] and fused (Epoxyetheno)indeno-furan from 1,2-diketone and 1-cyanoketone0 aDivergent annulation of spiroindolinepyran and fused Epoxyetheno cAUG ae2021015340 v20223 a

A simple and efficient method for the construction of spiro[indoline-pyran] and fused (epoxyetheno)indeno[1,2-b]furan compounds from 1-cyanoketones and 1,2-diketone has been developed. The synthesis proceeded via the Knoevenagel and Michael adduct through intramolecular/Paal-Knorr cyclization under similar reaction condition. The less commonly used 1-cyanoketones and active carbonyl compounds served as the indole containing pyran and bicyclic furan source for the preparation of a new series of heterocyclic compounds. This heterocyclic structure allows one and more than one tetra-substituted carbon center and sequential hexa- and penta-cyclic core under very mild conditions and shows excellent chemo and regioselectivity. In addition, the synthesis of spiro[indoline-pyran] and (epoxyetheno)indeno[1,2-b]furan was demonstrated in a gram scale.

10aDiverse synthesis10aIntramolecular10aKnoevenagel and Michael adduct10amolecular diversity10aOxygen heterocycles10aPaal-Knorr cyclization1 aYadav, Maruti, B.1 aVagh, Sandip, S.1 aJeong, Yeon, Tae uhttps://library.ncl.res.in/content/divergent-annulation-spiroindoline-pyran-and-fused-epoxyethenoindeno-furan-12-diketone-and-101426nas a2200157 4500008004100000022001400041245008400055210006900139260000800208300001400216490000800230520087600238100002101114700002401135856010901159 2022 eng d a1520-610600aDry molten globule-like intermediates in protein folding, function, and disease0 aDry molten globulelike intermediates in protein folding function cNOV a8614-86220 v1263 a

The performance of a protein depends on its correct folding to the final functional native form. Hence, understanding the process of protein folding has remained an important field of research for the scientific community for the past five decades. Two important intermediate states, namely, wet molten globule (WMG) and dry molten globule (DMG), have emerged as critical milestones during protein folding-unfolding reactions. While much has been discussed about WMGs as a common unfolding intermediate, the evidence for DMGs has remained elusive owing to their near-native features, which makes them difficult to probe using global structural probes. This Review puts together the available literature and new evidence on DMGs to give a broader perspective on the universality of DMGs and discuss their significance in protein folding, function, and disease.

1 aAcharya, Nirbhik1 aJha, Santosh, Kumar uhttps://library.ncl.res.in/content/dry-molten-globule-intermediates-protein-folding-function-and-disease01752nas a2200253 4500008004100000022001400041245009500055210006900150260000800219300001500227490000700242520095900249653001901208653001701227653000901244653001101253653001401264653001401278100002201292700002201314700002401336700002001360856011801380 2022 eng d a1861-472800aEfficient route to 3,3 `-biindolinylidene-diones by iron-catalyzed dimerization of isatins0 aEfficient route to 33 biindolinylidenediones by ironcatalyzed di cAUG ae2022004140 v173 a

Iron-catalyzed dimerization of various isatin derivatives is described for the efficient synthesis of 3,3 `-biindolinylidene-diones (isoindigos). The reaction provides easy access to self-coupled and cross-coupled 3,3 `-indolinylidene-diones that have high relevance to biology and materials. This Fe(0)- or Fe(II)-catalyzed dimerization reaction tolerates a wide range of functionalities, such as fluoro, chloro, bromo, alkenyl, nitrile, ether, ester, pyrrolyl, indolyl and carbazolyl groups, including cyclic and acyclic alkyls as well as an alkyl-bearing fatty-alcohol moiety. Especially, the coupling between two distinct isatins provided excellent selectivity for the cross-dimerization with trace of self-couplings. The single-crystal X-ray diffraction study established the molecular structure of eight dimerized products. A preliminary mechanistic study of the Fe-catalyzed dimerization supported the radical pathway for the reaction.

10aCross-coupling10adimerization10airon10aIsatin10aIsoindigo10aMechanism1 aJagtap, Rahul, A.1 aPradhan, Chandini1 aGonnade, Rajesh, G.1 aPunji, Benudhar uhttps://library.ncl.res.in/content/efficient-route-33-biindolinylidene-diones-iron-catalyzed-dimerization-isatins02180nas a2200277 4500008004100000022001400041245010800055210006900163260000800232300001600240490000700256520127800263653002001541653002701561653002401588653001901612653001201631100001901643700001901662700001601681700001601697700002301713700001901736700001801755856012901773 2022 eng d a0363-907X00aElectrospun zinc-manganese bimetallic oxide carbon nanofibers as freestanding supercapacitor electrodes0 aElectrospun zincmanganese bimetallic oxide carbon nanofibers as  cDEC a22100-221120 v463 a

Flexible, lightweight, and freestanding zinc-manganese oxide carbon nanofibers are promising materials for the fabrication of portable electronic devices. Composite nanofibers were synthesized using terephthalic acid and sodium dodecyl sulfate. Terephthalic acid improves the flexibility of the composite fibers and facilitates the diffusion of electrolytic ions. Meanwhile, sodium dodecyl sulfate aids to elevate the metal (zinc) oxide particles to the surface of the nanofibers during annealing. The texturing of the carbon nanofiber surface with ZnO enhances the electrochemical activity of the composite fibers. Parametric studies were conducted by varying the weight ratio of zinc and manganese acetates from zero to unity. The optimal case with a ratio of 0.75 produces specific capacitances of 1080 and 817 F center dot g(-1) at current densities of 1 and 10 A center dot g(-1), respectively, with a wide potential window of 1.6 V, indicating outstanding energy storage capabilities. The capacitance retention was 92% after 10 000 galvanostatic charge-discharge cycles. The bending angle test confirmed the mechanical durability of the freestanding carbon nanofiber electrodes, and the corresponding change in the cyclic voltammetry curve was negligible.

10aelectrospinning10afreestanding electrode10ahigh-energy-density10asupercapacitor10aZnMn2O41 aJoshi, Bhavana1 aSamuel, Edmund1 aKim, Yongil1 aKim, Taegun1 aEl-Newehy, Mohamed1 aAldalbahi, Ali1 aYoon, Sam, S. uhttps://library.ncl.res.in/content/electrospun-zinc-manganese-bimetallic-oxide-carbon-nanofibers-freestanding-supercapacitor02274nas a2200205 4500008004100000022001400041245012100055210006900176260000900245300000800254490000700262520153100269100002301800700002501823700002101848700003001869700001701899700002201916856013001938 2022 eng d a0039-788100aEnantioselective Cu(I)-catalyzed borylative cyclization of enone-tethered cyclohexadienones and mechanistic insights0 aEnantioselective CuIcatalyzed borylative cyclization of enonetet cFEB  a8540 v133 a

Rapidly building molecular structures with both elements of complexity and flexibility is a key goal of organic synthesis. Here the authors show a tandem copper-catalyzed beta-borylation/Michael addition on prochiral enone-tethered 2,5-cyclohexadienones, to generate bicyclic borylated products in high yield and enantioselectivity. The catalytic asymmetric borylation of conjugated carbonyls followed by stereoselective intramolecular cascade cyclizations with in situ generated chiral enolates are extremely rare. Herein, we report the enantioselective Cu(I)-catalyzed beta-borylation/Michael addition on prochiral enone-tethered 2,5-cyclohexadienones. This asymmetric desymmetrization strategy has a broad range of substrate scope to generate densely functionalized bicyclic enones bearing four contiguous stereocenters with excellent yield, enantioselectivity, and diastereoselectivity. One-pot borylation/cyclization/oxidation via the sequential addition of sodium perborate reagent affords the corresponding alcohols without affecting yield and enantioselectivity. The synthetic potential of this reaction is explored through gram-scale reactions and further chemoselective transformations on products. DFT calculations explain the requirement of the base in an equimolar ratio in the reaction, as it leads to the formation of a lithium-enolate complex to undergo C-C bond formation via a chair-like transition state, with a barrier that is 22.5 kcal/mol more favourable than that of the copper-enolate complex.

1 aJadhav, Sandip, B.1 aDash, Soumya, Ranjan1 aMaurya, Sundaram1 aNanubolu, Jagadeesh, Babu1 aVanka, Kumar1 aChegondi, Rambabu uhttps://library.ncl.res.in/content/enantioselective-cui-catalyzed-borylative-cyclization-enone-tethered-cyclohexadienones-and01720nas a2200229 4500008004100000022001400041245006400055210006300119260000800182300001600190490000700206520103000213653002101243653001101264653002401275653003001299653000701329100002001336700001901356700001901375856009601394 2022 eng d a0272-884200aFormation of zircon-type DyCrO4 and its magnetic properties0 aFormation of zircontype DyCrO4 and its magnetic properties cSEP a24666-246760 v483 a

The formation mechanism of hydrolytic sol-gel synthesized DyCrO4 with a complexing agent in acidic and basic mediums is thoroughly studied. The role of complexing agents and pH on phase formation temperature is also intensively investigated. The formation temperature for DyCrO4 is similar to 500 degrees C in the absence and presence of complexing agents such as oxalic acid and ethylenediaminetetraacetic acid (EDTA) at pH 10. When critic acid is used, the DyCrO4 forms with Cr2O3 impurity. The crystallite size in the presence of a complexing agent in the basic medium is similar to 55 nm which is small as compared to only ammonia solution. The various reaction modes lead to tetragonal zircon-type DyCrO4 at similar to 500 degrees C, transforming into orthorhombic perovskite DyCrO3 at 800 degrees C. The magnetization curve shows the ferromagnetic behavior of DyCrO4 below transition temperature T-c similar to 21 K. This low T-c makes nanocrystalline DyCrO4 a potential material for cryogenic applications.

10aComplexing agent10aDyCrO410aFormation mechanism10aHydrolytic sol-gel method10apH1 aUghade, Supriya1 aJoshi, Bhavana1 aPoddar, Pankaj uhttps://library.ncl.res.in/content/formation-zircon-type-dycro4-and-its-magnetic-properties02064nas a2200205 4500008004100000022001400041245010300055210006900158260000800227300001100235490000800246520139700254653000801651653000901659653002501668653000801693100001801701700001801719856012101737 2022 eng d a0169-433200aFrom molecular adsorption to decomposition of methanol on various ZnO facets: a periodic DFT study0 aFrom molecular adsorption to decomposition of methanol on variou cNOV a1541500 v6023 a

Methanol is an interesting and important molecule to study because of its potential to replace existing fuels. It is also a prominent hydrogen source which can be used to generate hydrogen in-situ. ZnO is widely used as catalyst in synthesis of methanol from CO2 at industrial scale. In this work, we demonstrate that the same catalyst could be used for MeOH decomposition. We have investigated interaction of methanol with various flat and stepped facets of ZnO by employing Density Functional Theory (DFT). Two flat [(10(1)overbar 0) and (11(2)overbar 0)] and two stepped [(10(1)overbar 3) and (11(2)overbar 2)] facets are studied in detail for methanol adsorption. Chemisorption of MeOH with varying strength is common to all four facets. Most importantly spontaneous dissociation of O-H bond of methanol is observed on all facets except (11(2)overbar 0). Our DFT calculations reveal that molecular adsorption is favored on flat facets, while dissociation is favored on step facets. Also, (10(1)overbar 0) facet undergoes substantial reconstruction upon MeOH adsorption. Activation of C-H bond along with strengthening of C-O bond on ZnO facets suggest partial oxidation of methanol. With our DFT investigations, we dig deeper into the underlying electronic structure of various facets of ZnO and provide rationale for the observed facet dependent interaction of ZnO with MeOH.

10aDFT10aMeOH10aSurface interactions10aZnO1 aMehta, Shweta1 aJoshi, Kavita uhttps://library.ncl.res.in/content/molecular-adsorption-decomposition-methanol-various-zno-facets-periodic-dft-study02246nas a2200265 4500008004100000022001400041245007900055210006900134260000800203300001200211490000700223520141000230653002101640653000701661653002701668653001601695653002201711100002301733700002601756700002501782700002201807700002001829700002401849856010701873 2022 eng d a0022-284400aFunctional diversity of the lepidopteran ATP-binding cassette transporters0 aFunctional diversity of the lepidopteran ATPbinding cassette tra cAUG a258-2700 v903 a

The ATP-binding cassette (ABC) transporter gene family is ubiquitous in the living world. ABC proteins bind and hydrolyze ATP to transport a myriad of molecules across various lipid-containing membrane systems. They have been studied well in plants for transport of a variety of compounds and particularly, in vertebrates due to their direct involvement in resistance mechanisms against several toxic molecules/metabolites. ABC transporters in insects are found within large multigene families involved in the efflux of chemical insecticides and toxic/undesired metabolites originating from food and endogenous metabolism. This review deals with ABC transporter subfamilies of few agronomically important Lepidopteran pests. The transcriptional dynamics and regulation of ABC transporters during insect development emphasizes their functional diversity against insecticides, Cry toxins, and plant specialized metabolites. To generate insights about molecular function and physiological roles of ABCs, functional and structural characterization is necessary. Also, expansion and divergence of ABC transporter gene subfamilies in Lepidopteran insects needs more systematic investigation. We anticipate that newer methods of insect control in agriculture can benefit from an understanding of ABC transporter interactions with a vast range of natural specialized molecules and synthetic compounds.

10aABC transporters10aBt10ainsecticide resistance10aLepidoptera10aPlant metabolites1 aBarve, Pranoti, R.1 aTellis, Meenakshi, B.1 aBarvkar, Vitthal, T.1 aJoshi, Rakesh, S.1 aGiri, Ashok, P.1 aKotkar, Hemlata, M. uhttps://library.ncl.res.in/content/functional-diversity-lepidopteran-atp-binding-cassette-transporters02945nas a2200265 4500008004100000022001400041245013300055210006900188260001200257300001200269490000700281520196100288653002302249653004802272653002002320653002902340653002802369653002202397100002802419700002702447700002502474700003102499700002802530856012102558 2022 eng d a0973-129600aGreen synthesis-mediated iron oxide nanoparticles using sphagneticola trilobata (L.) for antibacterial and anticancer assessment0 aGreen synthesismediated iron oxide nanoparticles using sphagneti cOCT-DEC a953-9610 v183 a

Background: Green chemistry is widely accepted phenomenon to synthesize iron oxide nanoparticles (Fe-NPs) used in several biomedical and technological applications. Metal oxide nanoparticles are useful in biomedical, clearing environmental pollutants, enzyme immobilization, etc., Objectives: The synthesis of Fe-NPs using Sphagneticola trilobata leaf extract using ferric chloride solution and its biological assessment. Materials and Methods: The present study involved the synthesis of Fe-NPs using S. trilobata leaf extract using ferric chloride solution by the co-precipitation method. The synthesized nanoparticles were characterized for Fourier-transform infrared spectroscopy, scanning electron microscopy, powder X-ray diffraction spectroscopy, particle size analysis, and magnetization studies. The nanoparticles were biologically evaluated for microbiological, antioxidant, and in vitro cytotoxicity activity. Results: Magnetic nanoparticles were appeared in dark brown color. The change in color might result due to the presence of polyphenols in S. trilobata leaf extract. The characterization studies confirmed morphology, shape, and size of the nanoparticles. The mean diameter of Fe-NPs and S. trilobata-Fe-NPs was found to be 42.2 +/- 2.6 and 62.54 +/- 2.01 nm, respectively. Magnetization studies of nanoparticles revealed ferromagnetic behavior with the saturation magnetization at 57 emugm(-1). S. trilobata-Fe-NPs showed significant antibacterial action against Staphylococcus aureus and Bacillus subtilis by the well-diffusion method. Antioxidant activity of S. trilobata-Fe-NPs exhibited 65.78% inhibition in comparison with ascorbic acid. The cytotoxicity assay of S. trilobata-Fe-NPs on HCT-15 colon adenocarcinoma cells showed significant anticancer activity (56.44%) cytotoxic inhibition. Conclusion: Green synthesis-mediated S. trilobata-Fe-NPs appeared to produce significant antimicrobial and anticancer potential.

10aElemental analysis10afield emission scanning electron microscopy10agreen synthesis10airon oxide nanoparticles10aSphagneticola trilobata10aX-ray diffraction1 aDhavale, Rakesh, Pandit1 aPatil, Swapnil, Sanjay1 aJadhav, Sagar, Ujwal1 aDhavale, Rushikesh, Pandit1 aAgawane, Sachin, Bharat uhttps://library.ncl.res.in/content/green-synthesis-mediated-iron-oxide-nanoparticles-using-sphagneticola-trilobata-l01651nas 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-hmf02377nas 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-hydrogenation02017nas 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-autophagy02525nas a2200301 4500008004100000022001400041245011100055210006900166260000800235300001200243490000700255520151500262653002701777653002801804653001701832653002701849653002701876100002101903700001701924700002201941700001801963700003601981700001402017700002302031700001902054700003002073856012002103 2022 eng d a1614-683200aIncorporating conducting polypyrrole into a polyimide COF for carbon-free ultra-high energy supercapacitor0 aIncorporating conducting polypyrrole into a polyimide COF for ca cSEP a22007540 v123 a

Redox-active covalent organic frameworks (COFs) store charges but possess inadequate electronic conductivity. Their capacitive action works by storing H+ ions in an acidic electrolyte and is typically confined to a small voltage window (0-1 V). Increasing this window means higher energy and power density, but this risks COF stability. Advantageously, COF's large pores allow the storage of polarizable bulky ions under a wider voltage thus reaching higher energy density. Here, a COF-electrode-electrolyte system operating at a high voltage regime without any conducting carbon or redox active oxides is presented. Conducting polypyrrole (Ppy) chains are synthesized within a polyimide COF to gain electronic conductivity (approximate to 10 000-fold). A carbon-free quasi-solid-state capacitor assembled using this composite showcases high pseudo-capacitance (358 mF cm(-2)@1 mA cm(-2)) in an aqueous gel electrolyte. The synergy among the redox-active polyimide COF, polypyrrole and organic electrolytes allows a wide-voltage window (0-2.5 V) leading to high energy (145 mu Wh cm(-2)) and power densities (4509 mu W cm(-2)). Amalgamating the polyimide-COF and the polypyrrole as one material minimizes the charge and mass transport resistances. Computation and experiments reveal that even a partial translation of the modules/monomers intrinsic electronics to the COF imparts excellent electrochemical activity. The findings unveil COF-confined polymers as carbon-free energy storage materials.

10acarbon free capacitors10acation-anion co-storage10aconductivity10ahigh energy capacitors10apolypyrrole doped COFs1 aHaldar, Sattwick1 aRase, Deepak1 aShekhar, Pragalbh1 aJain, Chitvan1 aVinod, Chathakudath, Prabhakara1 aZhang, En1 aShupletsov, Leonid1 aKaskel, Stefan1 aVaidhyanathan, Ramanathan uhttps://library.ncl.res.in/content/incorporating-conducting-polypyrrole-polyimide-cof-carbon-free-ultra-high-energy02131nas a2200253 4500008004100000245010800041210006900149260000800218300001400226490000600240520124600246653001901492653002501511653002601536653002301562653002301585653002701608100002301635700002201658700002601680700002101706700003001727856012001757 2022 eng d00aInstabilities as the origin of large-area self-assembled and aligned organic semiconductor nanocrystals0 aInstabilities as the origin of largearea selfassembled and align cAPR a1815-18220 v43 a

Aligned nanocrystals of organic semiconductors (OSCs) are highly desirable for electronic devices and biomedical and photonic applications. Solution-based wet processing routes have the potential to produce aligned nanocrystals over large areas in small time frames. Herein, we demonstrate that by optimizing the hydrodynamic evaporative processes, controlled long-range crystalline assemblies of OSCs can be achieved (longest nanocrystal similar to 3 mm) purely through physical processes: namely, from fingering instabilities. Self-assembly is achieved here without strong noncovalent interactions such as hydrogen-bonding interactions. Experimentally our approach involves just placing a drop of a solution on an inclined substrate. Nanocrystals with widths of 300-800 nm and lengths of millimeters (length/width aspect ratios >10(5)) are formed in less than 2-8 s. A hydrazine chemiresistive sensor based on the aligned crystalline patterns show unprecedented responsivity (similar to 10(-6)), 2 orders greater than those of stick-slip patterns. Finally, experimental parameters that need optimization to achieve nanocrystal patterns are investigated in detail and pointers to fabricate such OSC nanocrystals are provided.

10aaligned fibers10adiketopyrrolopyrrole10afingering instability10ananocrystal arrays10anaphthalenediimide10aorganic semiconductors1 aVenugopalan, Vijay1 aJain, Bhanprakash1 aMahale, Rajashree, Y.1 aSubramani, Kumar1 aKrishnamoorthy, Kothandam uhttps://library.ncl.res.in/content/instabilities-origin-large-area-self-assembled-and-aligned-organic-semiconductor02685nas a2200229 4500008004100000022001400041245016600055210006900221260000800290300001600298490000600314520183500320100001802155700002402173700002002197700002302217700002002240700002002260700002002280700002502300856013002325 2022 eng d a2470-134300aInvestigation of the captopril-insulin interaction by mass spectrometry and computational approaches reveals that captopril induces structural changes in insulin0 aInvestigation of the captoprilinsulin interaction by mass spectr cJUL a23115-231260 v73 a

ABSTRACT: Post-translational modifications remarkably regulate proteins' biological function. Small molecules such as reactive thiols, metabolites, and drugs may covalently modify the proteins and cause structural changes. This study reports the covalent modification and noncovalent interaction of insulin and captopril, an FDA-approved antihypertensive drug, through mass spectrometric and computation-based approaches. Mass spectrometric analysis shows that captopril modifies intact insulin, reduces it into its ``A'' and ``B'' chains, and covalently modifies them by forming adducts. Since captopril has a reactive thiol group, it might reduce the insulin dimer or modify it by reacting with cysteine residues. This was proven with dithiothreitol treatment, which reduced the abundance of captopril adducts of insulin A and B chains and intact Insulin. Liquid chromatography tandem mass spectrometric analysis identified the modification of a total of four cysteine residues, two in each of the A and B chains of insulin. These modifications were identified to be Cys6 and Cys7 of the A chain and Cys7 and Cys19 of the B chain. Mass spectrometric analysis indicated that captopril may simultaneously modify the cysteine residues of intact insulin or its subunits A and B chains. Biophysical studies involving light scattering and thioflavin T assay suggested that the binding of captopril to the protein leads to the formation of aggregates. Docking and molecular dynamics studies provided insights into the noncovalent interactions and associated structural changes in insulin. This work is a maiden attempt to understand the detailed molecular interactions between captopril and insulin. These findings suggest that further investigations are required to understand the long-term effect of drugs like captopril.

1 aGhosh, Amrita1 aPawar, Aiswarya, B.1 aChirmade, Tejas1 aJathar, Swaraj, M.1 aBhambure, Rahul1 aSengupta, Durba1 aGiri, Ashok, P.1 aKulkarni, Mahesh, J. uhttps://library.ncl.res.in/content/investigation-captopril-insulin-interaction-mass-spectrometry-and-computational-approaches02248nas a2200241 4500008004100000022001400041245011700055210006900172260000800241300001400249490000800263520142700271653002001698653001701718653001801735653002101753653001701774100002301791700002301814700002101837700002101858856012701879 2022 eng d a0008-403400aKinetic study on alkylation of hydroquinone with methanol over SO3H functionalized Bronsted acidic ionic liquids0 aKinetic study on alkylation of hydroquinone with methanol over S cOCT a2986-29960 v1003 a

O-alkylation of a dihydric phenol (i.e., hydroquinone) with methanol in presence of benzoquinone catalyzed by double SO3H functionalized Bronsted acidic ionic liquids (i.e., 1,3-disulphonic acid imidazolium hydrogen sulphate, 1,3-disulphonic acid benzimidazolium hydrogen sulphate, and sulphuric acid) is studied in a batch reactor. The sensitivity of activity and selectivity with reaction time, temperature, speed of agitation, and catalyst loading was examined. The plausible reaction pathways proposed based on the experimental observations and detailed kinetic investigation are performed by assuming a homogeneous reaction phase. The kinetic parameters, such as pre-exponential factor and activation energy, are estimated for both ionic liquids and sulphuric acid by considering all competitive reactions, and comparative results were presented. An extended form of the Arrhenius equation is used to estimate the kinetic parameters for the reaction which showed curvature in lnk against a 1/T plot. The model prediction with the estimated kinetic parameters is in good agreement with the experimental data, which confirmed the model validity in the experimental operating range. It was found that ionic liquid has a potential application in the synthesis of a selective monoalkylated product of hydroquinone. The kinetic analysis performed is found to be useful in the understanding of process behaviour.

10a4-Methoxyphenol10aHydroquinone10aionic liquids10aKinetic analysis10aO-alkylation1 aBhongale, Priyanka1 aAmonkar, Amogh, A.1 aJoshi, Sunil, S.1 aMali, Nilesh, A. uhttps://library.ncl.res.in/content/kinetic-study-alkylation-hydroquinone-methanol-over-so3h-functionalized-bronsted-acidic02048nas a2200217 4500008004100000022001400041245010000055210006900155260000800224300001500232490000600247520131900253653002201572653002601594653001401620653000801634653002101642100002001663700001801683856012901701 2022 eng d a2365-654900aLooking beyond adsorption energies to understand interactions at surface using machine learning0 aLooking beyond adsorption energies to understand interactions at cOCT ae2022024140 v73 a

Identifying factors that influence interactions at the surface is still an active area of research. In this work, the importance of analyzing bond length activations (BLact) along with adsorption energies (E-a) while interpreting Density Functional Theory (DFT) results is emphasized. Investigating adsorption of different small molecules, such as O-2, N-2, CO, and CO2, on commonly studied facets ((100), (110), and (111)) of seven fcc transition metal surfaces (M=Ag, Au, Cu, Ir, Rh, Pt, and Pd) demonstrates the missing linear correlation between E-a and BLact. Further, tree based Machine Learning (ML) models reinforce the missing linear correlation between the two parameters and also highlight the importance of analyzing both to develop a better understanding of adsorption at surfaces. The best performing Random Forest models have a mean absolute error (MAE) of 0.19 eV for E-a prediction, and even lower MAE of 0.012 angstrom for BLact prediction. While often d-band center is correlated with E-a, our observations show that infact the d-band center has a better correlation with BLact. These observations emphasizes the role of BLact in gaining a fuller picture for catalysis. The fact that the factors responsible for BLact is a lesser-explored subject adds to the novelty of the findings.

10aAdsorption energy10aBondlength activation10acatalysis10aDFT10amachine learning1 aAgarwal, Sheena1 aJoshi, Kavita uhttps://library.ncl.res.in/content/looking-beyond-adsorption-energies-understand-interactions-surface-using-machine-learning01363nas a2200205 4500008004100000022001400041245009300055210006900148260000800217300001200225490000700237520068100244100002100925700001700946700001800963700001800981700001800999700001901017856012101036 2022 eng d a2159-685900aLuminescence turn-off detection of metal ions and explosives using graphene quantum dots0 aLuminescence turnoff detection of metal ions and explosives usin cAPR a168-1740 v123 a

Green luminescent graphene quantum dots (GQDs) obtained from combustion of white printing paper were used for detection of fourteen different metal ions and six different explosives in an aqueous medium. These were obtained using a microwave-assisted synthesis process. After optimizing the experimental conditions (pH 6; quantum yield (QY) similar to 38.2%), a sensitive sensing system was developed to detect explosives and free residual metal ions in the environment based on fluorescence quenching of GQDs. The as-synthesized GQDs, as a sensing system, is most sensitive for Cu2+ ion and 2,4-DNP with a detection limit of 0.62 mu M and 0.50 mu M, respectively.

1 aJyotsna, Shubhra1 aSadhu, Subha1 aSharma, Vinay1 aGupta, Preeti1 aSharma, Geeta1 aPoddar, Pankaj uhttps://library.ncl.res.in/content/luminescence-turn-detection-metal-ions-and-explosives-using-graphene-quantum-dots07622nas a2201957 4500008004100000022001400041245016800055210006900223260000800292300001100300490000800311520199500319653001102314653001202325653001302337653002102350653001402371653002102385653001502406100001902421700002102440700002302461700001902484700001902503700002002522700002402542700001902566700001802585700002002603700001502623700002702638700003402665700002102699700001702720700001702737700001902754700002402773700003002797700001902827700001802846700002102864700001402885700002502899700001702924700001702941700001202958700002002970700001902990700001703009700002103026700002603047700002603073700001903099700001803118700002403136700003003160700002703190700001703217700002703234700003503261700002503296700002403321700002303345700002803368700002703396700002703423700002103450700002903471700001903500700001603519700001703535700001803552700001603570700001803586700001703604700002003621700001903641700002403660700002103684700001903705700001803724700002203742700002203764700002403786700002603810700002203836700002403858700002803882700002103910700001803931700001703949700002603966700001603992700001704008700001904025700002204044700001804066700001604084700001904100700002704119700002704146700002404173700001704197700002104214700002304235700001804258700002504276700002804301700001904329700002204348700002204370700001604392700001804408700002004426700001704446700001904463700001504482700002704497700003004524700001604554700001204570700001804582700002804600700002204628700002104650700002704671700002004698700001804718700002104736700001804757700002004775700002004795700001704815700001904832700001604851700001904867700001604886700002004902700002204922700002104944700001804965700001904983700002105002700002005023700002005043700002105063700002005084700002205104700003105126700001905157700002705176700003505203700002605238700002405264700002405288700003205312700003905344700002305383700001805406700002405424700002505448700002005473700002305493700001805516856013005534 2022 eng d a0010-482500aMachine learning-based approach to determine infection status in recipients of BBV152 (Covaxin) whole-virion inactivated SARS-CoV-2 vaccine for serological surveys0 aMachine learningbased approach to determine infection status in  cJUL a1054190 v1463 a

Data science has been an invaluable part of the COVID-19 pandemic response with multiple applications, ranging from tracking viral evolution to understanding the vaccine effectiveness. Asymptomatic breakthrough infections have been a major problem in assessing vaccine effectiveness in populations globally. Serological discrimination of vaccine response from infection has so far been limited to Spike protein vaccines since whole virion vaccines generate antibodies against all the viral proteins. Here, we show how a statistical and machine learning (ML) based approach can be used to discriminate between SARS-CoV-2 infection and immune response to an inactivated whole virion vaccine (BBV152, Covaxin). For this, we assessed serial data on antibodies against Spike and Nucleocapsid antigens, along with age, sex, number of doses taken, and days since last dose, for 1823 Covaxin recipients. An ensemble ML model, incorporating a consensus clustering approach alongside the support vector machine model, was built on 1063 samples where reliable qualifying data existed, and then applied to the entire dataset. Of 1448 self-reported negative subjects, our ensemble ML model classified 724 to be infected. For method validation, we determined the relative ability of a random subset of samples to neutralize Delta versus wild-type strain using a surrogate neutralization assay. We worked on the premise that antibodies generated by a whole virion vaccine would neutralize wild type more efficiently than delta strain. In 100 of 156 samples, where ML prediction differed from self-reported uninfected status, neutralization against Delta strain was more effective, indicating infection. We found 71.8% subjects predicted to be infected during the surge, which is concordant with the percentage of sequences classified as Delta (75.6%-80.2%) over the same period. Our approach will help in real-world vaccine effectiveness assessments where whole virion vaccines are commonly used.

10aBBV15210aCovaxin10aCOVID-1910aEnsemble methods10aInfection10amachine learning10aSARS-CoV-21 aSingh, Prateek1 aUjjainiya, Rajat1 aPrakash, Satyartha1 aNaushin, Salwa1 aSardana, Viren1 aBhatheja, Nitin1 aSingh, Ajay, Pratap1 aBarman, Joydeb1 aKumar, Kartik1 aGayali, Saurabh1 aKhan, Raju1 aRawat, Birendra, Singh1 aTallapaka, Karthik, Bharadwaj1 aAnumalla, Mahesh1 aLahiri, Amit1 aKar, Susanta1 aBhosale, Vivek1 aSrivastava, Mrigank1 aMugale, Madhav, Nilakanth1 aPandey, C., P.1 aKhan, Shaziya1 aKatiyar, Shivani1 aRaj, Desh1 aIshteyaque, Sharmeen1 aKhanka, Sonu1 aRani, Ankita1 aPromila1 aSharma, Jyotsna1 aSeth, Anuradha1 aDutta, Mukul1 aSaurabh, Nishant1 aVeerapandian, Murugan1 aVenkatachalam, Ganesh1 aBansal, Deepak1 aGupta, Dinesh1 aHalami, Prakash, M.1 aPeddha, Muthukumar, Serva1 aVeeranna, Ravindra, P.1 aPal, Anirban1 aSingh, Ranvijay, Kumar1 aAnandasadagopan, Suresh, Kumar1 aKaruppanan, Parimala1 aRahman, Syed, Nasar1 aSelvakumar, Gopika1 aVenkatesan, Subramanian1 aKarmakar, Malay, Kumar1 aSardana, Harish, Kumar1 aKothari, Anamika1 aParihar, Devendra, Singh1 aThakur, Anupma1 aSaifi, Anas1 aGupta, Naman1 aSingh, Yogita1 aReddu, Ritu1 aGautam, Rizul1 aMishra, Anuj1 aMishra, Avinash1 aGogeri, Iranna1 aRayasam, Geethavani1 aPadwad, Yogendra1 aPatial, Vikram1 aHallan, Vipin1 aSingh, Damanpreet1 aTirpude, Narendra1 aChakrabarti, Partha1 aMaity, Sujay, Krishna1 aGanguly, Dipyaman1 aSistla, Ramakrishna1 aBalthu, Narender, Kumar1 aKumar, Kiran, A.1 aRanjith, Siva1 aKumar, Vijay1 aJamwal, Piyush, Singh1 aWali, Anshu1 aAhmed, Sajad1 aChouhan, Rekha1 aGandhi, Sumit, G.1 aSharma, Nancy1 aRai, Garima1 aIrshad, Faisal1 aJamwal, Vijay, Lakshmi1 aPaddar, Masroor, Ahmad1 aKhan, Sameer, Ullah1 aMalik, Fayaz1 aGhosh, Debashish1 aThakkar, Ghanshyam1 aBarik, S., K.1 aTripathi, Prabhanshu1 aSatija, Yatendra, Kumar1 aMohanty, Sneha1 aKhan, Md, Tauseef1 aSubudhi, Umakanta1 aSen, Pradip1 aKumar, Rashmi1 aBhardwaj, Anshu1 aGupta, Pawan1 aSharma, Deepak1 aTuli, Amit1 aChaudhuri, Saumya, Ray1 aKrishnamurthi, Srinivasan1 aPrakash, L.1 aRao, Ch1 aSingh, B., N.1 aChaurasiya, Arvindkumar1 aChaurasiya, Meera1 aBhadange, Mayuri1 aLikhitkar, Bhagyashree1 aMohite, Sharada1 aPatil, Yogita1 aKulkarni, Mahesh1 aJoshi, Rakesh1 aPandya, Vaibhav1 aMahajan, Sachin1 aPatil, Amita1 aSamson, Rachel1 aVare, Tejas1 aDharne, Mahesh1 aGiri, Ashok1 aMahajan, Sachin1 aParanjape, Shilpa1 aSastry, Narahari1 aKalita, Jatin1 aPhukan, Tridip1 aManna, Prasenjit1 aRomi, Wahengbam1 aBharali, Pankaj1 aOzah, Dibyajyoti1 aSahu, RaviKumar1 aDutta, Prachurjya1 aSingh, Moirangthem, Goutam1 aGogoi, Gayatri1 aTapadar, Yasmin, Begam1 aBabu, Elapavalooru, V. S. S. K1 aSukumaran, Rajeev, K.1 aNair, Aishwarya, R.1 aPuthiyamadam, Anoop1 aValappil, Prajeesh, Kooloth1 aPrasannakumari, Adrash, Velayudhan1 aChodankar, Kalpana1 aDamare, Samir1 aAgrawal, Ved, Varun1 aChaudhary, Kumardeep1 aAgrawal, Anurag1 aSengupta, Shantanu1 aDash, Debasis uhttps://library.ncl.res.in/content/machine-learning-based-approach-determine-infection-status-recipients-bbv152-covaxin-whole02016nas a2200241 4500008004100000022001400041245007600055210006900131260000800200300001100208490000700219520127000226653001201496653001901508653002101527653001001548653001901558100001901577700002201596700002601618700002201644856010801666 2022 eng d a0019-452200aMagnetostriction studies on transition metal substituted cobalt ferrite0 aMagnetostriction studies on transition metal substituted cobalt  cAUG a1005990 v993 a

Structural, magnetic and microstructural properties of transition metal (TM) substituted cobalt ferrite Co0.9TM0.1Fe2O4 (where TM = Ti, Cr, Mn, Ni and Cu and Zn) were investigated. The present study shows marked dependence of the magnetostriction on the concentration of the substituted transition metal ions for Cobalt in CoFe2O4. The magnetic characteristics of the prepared compositions such as coercivity, anisotropy constant and saturation magnetization changed significantly on transition metal substitution. The present study shows the way to tune the anisotropy of cobalt ferrite by effective substitution of other transition metal ions for Co which subsequently affects the stress sensing performance by changing the slope of the magnetostriction curve. Apart from the magnetic properties the microstructure can also be effectively modified by substitution of other transition metal ions. Only 10% substitution of cobalt showed drastic influence on magnetostriction and slope of magnetostriction curve. The composition with 10% nickel Co0.9Ni0.1Fe2O4 exhibited maximum slope for the magnetostriction curve of -53.7 ppm/Oe, along with reasonably high magnitude of strain of 186 ppm making it a suitable for exploring stress sensing applications.

10aFerrite10aMagnetoelastic10aMagnetostriction10aoxide10astress sensing1 aBhame, Shekhar1 aBhapkar, Abhishek1 aShirolkar, Mandar, M.1 aJoy, Pattayil, A. uhttps://library.ncl.res.in/content/magnetostriction-studies-transition-metal-substituted-cobalt-ferrite01643nas a2200169 4500008004100000022001400041245019800055210006900253260000800322300001600330490000700346520091100353100003001264700002601294700002501320856012801345 2022 eng d a1144-054600aMetal-free approach towards efficient synthesis of FDCA using a p-toluene sulfonic acid (p-TSA)-derived heterogeneous solid acid catalyst and oxone over two steps from HMF, fructose and glucose0 aMetalfree approach towards efficient synthesis of FDCA using a p cMAY a10272-102790 v463 a

In this work, a metal-free approach towards the synthesis of 2,5-furandicarboxylic acid (FDCA) from 5-hydroxymethylfurfural (HMF), fructose and glucose is reported over two steps using a p-toluene sulfonic acid (p-TSA)-derived heterogeneous solid acid catalyst (p-TSA-POM) in the first step and oxone as an oxidant in the second step. HMF, fructose and glucose were converted to 2,5-diformylfuran (DFF) using the p-TSA-POM catalyst followed by oxidation of DFF to FDCA using oxone. To the best of our knowledge, this is the first metal-free approach for the synthesis of FDCA directly from glucose. DFF was obtained from HMF in 91% yield, whereas it was obtained in 85% and 61% yields from fructose & glucose, respectively. DFF was further converted to FDCA using oxone as an oxidant. FDCA was obtained in an overall yield of 84%, 78% and 56% from HMF, fructose & glucose, respectively.

1 aTamboli, Asma, T. Biradar1 aKirdant, Swapnali, P.1 aJadhav, Vrushali, H. uhttps://library.ncl.res.in/content/metal-free-approach-towards-efficient-synthesis-fdca-using-p-toluene-sulfonic-acid-p-tsa01983nas a2200241 4500008004100000022001400041245012100055210006900176260000900245300000800254490000700262520111400269653001301383653002301396653002801419653003001447653002701477100002901504700002001533700002501553700003101578856013201609 2022 eng d a0250-470700aMgB2/NaNO2-PVA free-standing polymer composite film as a green firework: a step towards environmental sustainability0 aMgB2NaNO2PVA freestanding polymer composite film as a green fire cSEP  a1750 v453 a

We have demonstrated a simple fabrication methodology of free-standing polymer composite film firework that sparkles, provides colour display and moderate sound, yet is less polluting. The polymer composite film fireworks are composed of magnesium boride (MgB2), sodium nitrite (NaNO2) and poly(vinyl alcohol) (PVA). This study also suggested that a flammable, explosive powder composition can be made of two very common inorganic precursors, mainly NaNO2 and MgB2 . This is the first report demonstrating composite film fireworks with new flammable composition using metal boride as a primary precursor, which can also be used in conventional fireworks fabrication, replacing the traditional fuel, mainly gunpowder. The film fireworks were free from charcoal, sulphur, metal powder and paper. Therefore, they substantially lower the odour and COx, NOx, emissions and minimize the substantial trash generated when burned. Most importantly, film firework's minimum ignition temperature and exothermic decomposition temperature are much higher than the ambient temperature; hence are safe to handle.

10aFirework10afree-standing film10amagnesium boride (MgB2)10apoly(vinyl alcohol) (PVA)10asodium nitrite (NaNO2)1 aJeyavani, Vijayakrishnan1 aKumar, Rajendra1 aJoy, Pattayil, Alias1 aMukherjee, Shatabdi, Porel uhttps://library.ncl.res.in/content/mgb2nano2-pva-free-standing-polymer-composite-film-green-firework-step-towards-environmental02060nas a2200169 4500008004100000020001800041245011900059210006900178260000800247300001200255490000800267520142900275100001801704700002101722700002001743856012701763 2022 eng d a978032398895700aMolecular determinants of GPCR pharmacogenetics: deconstructing the population variants in β2-adrenergic receptor0 aMolecular determinants of GPCR pharmacogenetics deconstructing t cJAN a361-3960 v1283 a

G protein-coupled receptors (GPCRs) are membrane proteins that play a central role in cell signaling and constitute one of the largest classes of drug targets. The molecular mechanisms underlying GPCR function have been characterized by several experimental and computational methods and provide an understanding of their role in physiology and disease. Population variants arising from nsSNPs affect the native function of GPCRs and have been implicated in differential drug response. In this chapter, we provide an overview on GPCR structure and activation, with a special focus on the β2-adrenergic receptor (β2-AR). First, we discuss the current understanding of the structural and dynamic features of the wildtype receptor. Subsequently, the population variants identified in this receptor from clinical and large-scale genomic studies are described. We show how computational approaches such as bioinformatics tools and molecular dynamics simulations can be used to characterize the variant receptors in comparison to the wildtype receptor. In particular, we discuss three examples of clinically important variants and discuss how the structure and function of these variants differ from the wildtype receptor at a molecular level. Overall, the chapter provides an overview of structure and function of GPCR variants and is a step towards the study of inter-individual differences and personalized medicine.

1 aJoshi, Manali1 aNikte, Siddhanta1 aSengupta, Durba uhttps://library.ncl.res.in/content/molecular-determinants-gpcr-pharmacogenetics-deconstructing-population-variants-%CE%B2202073nas a2200253 4500008004100000022001400041245007300055210006900128260000800197300001400205490000700219520130800226653001401534653001301548653002201561653002601583653001501609100002001624700001901644700001801663700001701681700001901698856010201717 2022 eng d a0739-110200aMolecular elucidation of pancreatic elastase inhibition by baicalein0 aMolecular elucidation of pancreatic elastase inhibition by baica cJUL a5759-57680 v403 a

The serine protease, elastase exists in various forms and plays diverse roles in the human body. Pharmacological inhibition of elastase has been investigated for its therapeutic role in managing conditions such as diabetes, pneumonia and arthritis. Sivelestat, a synthetic molecule, is the only elastase inhibitor to have been approved by any major drug regulatory authority (PMDA, in this case) - but still has failed to attain widespread clinical usage owing to its high price, cumbersome administration and obscure long-term safety profile. In order to find a relatively better-suited alternative, screening was conducted using plant flavonoids, which yielded baicalein, a molecule that showed robust inhibition against Pancreatic Elastase inhibition (IC50: 3.53 mu M). Other than having a considerably lower IC(50)than sivelestat, baicalein is also cheaper, safer and easier to administer. While MicroScale Thermophoresis validated baicalein-elastase interaction, enzyme-kinetic studies, molecular docking and molecular dynamic simulation revealed the mode of inhibition to be non-competitive. Baicalein exhibited binding to a distinct allosteric site on the enzyme. The current study demonstrates the elastase inhibition properties of baicalein in an in-vitro and in-silico environment.

10aBaicalein10aelastase10aEnzyme inhibition10amolecular interaction10asivelestat1 aGhosh, Debajeet1 aBansode, Sneha1 aJoshi, Rakesh1 aKolte, Baban1 aGacche, Rajesh uhttps://library.ncl.res.in/content/molecular-elucidation-pancreatic-elastase-inhibition-baicalein02629nas a2200253 4500008004100000022001400041245013500055210006900190260000800259490000700267520172200274653001401996653002202010653002202032653003302054653002202087100002602109700001902135700001802154700002602172700003002198700001802228856012902246 2022 eng d a0739-110200aMolecular phylogeny, structure modeling and in silico screening of putative inhibitors of aerolysin of Aeromonas hydrophila EUS1120 aMolecular phylogeny structure modeling and in silico screening o cJUN0 v403 a

Aeromonas hydrophila, a Gram-negative bacterium, causes diseases in fish, resulting in excessive loss to the aquaculture industry. Aeromonas is a highly heterogeneous group of bacteria, and the heterogeneity of the genus is attributed to variation and diversity in the virulence factors and toxins among various Aeromonas strains. One of the major toxins aerolysin, secreted by the bacterium, causes hemorrhagic-septicemia and diarrhea and can serve as a drug target. Here, we describe characterization, molecular phylogeny, and homology modeling of the aerolysin of A. hydrophila strain EUS112 (Ah(EUS112)) cloned in our lab. The encoded aerolysin is 485 amino acids long with an N-terminal signal sequence of 23 amino acids. Phylogenetic analysis of the aerolysin of Ah(EUS112) revealed that it belongs to a diverse group of toxins, showing maximum similarity with aerolysins of other Aeromonas strains followed by Vibrio toxin. The homology model of the mature aerolysin of Ah(EUS112) was generated using the crystal structure of a mutant aerolysin (PDB\#3g4n) as the template, which showed that the encoded aerolysin exists as a channel protein. Validation of the generated model using bioinformatics tool confirmed it to be a good quality model that can be used for drug design. Molecular dock analysis revealed that drugs, aralia-saponin I, cyclamin, ardisiacrispin B, and aralia-saponin II bind to aerolysin with a higher affinity as compared to other drugs and at functionally important amino acids of aerolysin. Hence, these molecules can act as an effective therapeutics for inhibiting the aerolysin pore formation and curtail the severity of Aeromonas infection. Communicated by Ramaswamy H. Sarma

10aAerolysin10ahomology modeling10aMolecular docking10aMolecular dynamic simulation10aphylogenetic tree1 aYadav, Sunita, Kumari1 aPanwar, Deepak1 aSingh, Ankita1 aTellis, Meenakshi, B.1 aJoshi, Rakesh, Shamsunder1 aDixit, Aparna uhttps://library.ncl.res.in/content/molecular-phylogeny-structure-modeling-and-silico-screening-putative-inhibitors-aerolysin01837nas a2200217 4500008004100000022001400041245008900055210006900144260000800213300001100221490000800232520109800240653003301338653002401371653002701395653001701422653002301439100001901462700002401481856011401505 2022 eng d a0301-462200aNative state conformational heterogeneity in the energy landscape of protein folding0 aNative state conformational heterogeneity in the energy landscap cAPR a1067610 v2833 aThe native structure of proteins is central to various functions performed by cells. A vital part of the structure-function paradigm of proteins is their inherent flexibility and dynamics. The dynamic interconversion between the conformational substates in the heterogeneous native state basin of the energy landscape enables a single protein molecule to perform multiple functions. The dynamics among the substates are assisted by the motion of different structural elements of a protein out of which side-chains of amino acids hold a significant position due to their involvement in various functions such as molecular recognition and dynamic allostery. This review briefly describes the origin of conformational heterogeneity in the native state ensemble and the motions of different structural modules that assist the equilibrium dynamics of the conformational substates. The review then centers the discussion on conformational heterogeneity due to side-chain movements in proteins, the experimental methods to detect and characterize them and their role in performing multiple functions.10aConformational heterogeneity10aDry molten globules10aEnergy landscape model10aNative state10aSide-chain packing1 aMishra, Prajna1 aJha, Santosh, Kumar uhttps://library.ncl.res.in/content/native-state-conformational-heterogeneity-energy-landscape-protein-folding01505nas a2200181 4500008004100000022001400041245009600055210006900151260000800220300001400228490000700242520086100249100001801110700002301128700002501151700002401176856012301200 2022 eng d a1523-706000aNickel-catalyzed direct synthesis of N-substituted indoles from amino alcohols and alcohols0 aNickelcatalyzed direct synthesis of Nsubstituted indoles from am cDEC a9054-90590 v243 a

A one-pot cascade approach for the synthesis of N substituted indoles from amino alcohols and alcohols under additive and base-free conditions with the liberation of water as the only stoichiometric byproduct is reported. The commercially available bench-stable Ni(OTf)2 salt in combination with 1,2-bis(dicyclohexylphosphino)ethane (dcype) is very effective for this unprecedented catalytic transformation. A broad range of substrates including aromatic and aliphatic primary alcohols, cyclic and acyclic secondary alcohols, and various substituted 2-aminophenyl ethyl alcohols are employed in the reaction conditions to provide a diverse range of N-alkylated indoles. Mechanistic studies revealed that the reaction proceeds through tandem N-alkylation via hydrogen autotransfer followed by the cyclization of N-alkylated alcohol intermediate.

1 aYadav, Vinita1 aJagtap, Sayali, G.1 aBalaraman, Ekambaram1 aMhaske, Santosh, B. uhttps://library.ncl.res.in/content/nickel-catalyzed-direct-synthesis-n-substituted-indoles-amino-alcohols-and-alcohols02500nas a2200301 4500008004100000022001400041245012000055210006900175260000900244300001200253490000700265520151200272653001801784653002001802653001201822653001901834653001301853100001501866700001901881700001801900700002801918700002201946700002001968700002801988700002702016700002502043856013002068 2022 eng d a2155-543500aNoble-metal-free heterojunction photocatalyst for selective CO2 reduction to methane upon induced strain relaxation0 aNoblemetalfree heterojunction photocatalyst for selective CO2 re cJAN  a687-6970 v123 a

Sunlight-driven CO2 hydrogenation has drawn tremendous attention. However, selective CH4 formation via CO2 photoreduction is very challenging. Herein, we report a metal oxide semiconductor heterojunction consisting of BiVO4 and WO3 as a photocatalyst for the efficient conversion of carbon dioxide (CO2) selectively to methane (105 mu mol g(-1) h(-1)) under visible light in the absence of a sacrificial agent. Wise selection of the reaction medium and the strategically tuned heterojunction upon strain relaxation suppresses the competitive hydrogen generation reaction. The detailed photophysical, photoelectrochemical, and X-ray absorption spectroscopy studies pointed to the Z-scheme mechanism of electron transfer, which favors superior electron and hole separation compared to the individual components of the composite catalyst and other well-known photocatalysts reported for CO2 reduction. The observations are further corroborated by experimental diffuse reflectance infrared Fourier transform spectroscopy and theoretical density-functional theory calculations, which reveal that the heterojunction has a lower free-energy barrier for CO2 conversion to CH4 due to the larger stabilization of the *CH2O intermediate on the strain-relaxed heterojunction surface, in comparison to the pristine BiVO4 surface. The present work provides fundamental insights for constructing high-performance heterojunction photocatalysts for the selective conversion of CO2 to desired chemicals and fuels.

10aCO2 reduction10aheterostructure10amethane10aPhotocatalysis10aZ-scheme1 aDas, Risov1 aSarkar, Shreya1 aKumar, Ritesh1 aRamarao, Seethiraju, D.1 aCherevotan, Arjun1 aJasil, Mohammed1 aVinod, Chathakudath, P.1 aSingh, Abhishek, Kumar1 aPeter, Sebastian, C. uhttps://library.ncl.res.in/content/noble-metal-free-heterojunction-photocatalyst-selective-co2-reduction-methane-upon-induced02874nas a2200313 4500008004100000022001400041245012400055210006900179260000900248300001100257490000900268520183000277653002402107653001402131653001802145653002702163653001502190653001602205100002102221700002202242700002302264700002002287700002202307700002502329700002602354700002302380700002502403856013202428 2022 eng d a0022-286000aNovel 3-fluoro-4-morpholinoaniline derivatives: synthesis and assessment of anti-cancer activity in breast cancer cells0 aNovel 3fluoro4morpholinoaniline derivatives synthesis and assess cAPR  a1321270 v12533 aHeterocyclic morpholine compounds are well-known for their anti-cancer activity. In this study, novel morpholine and its sulfonamide derivatives were designed and synthesized as potential anti-tumor agents. The new compounds were obtained from amine derivatives via nucleophilic addition reactions, providing the desired products in 70 to 90% yield. The docking analysis was performed for all thirty-one compounds. Out of them, we represent the docking poses for compounds NAM-5 and NAM-7 as representatives. After docking analysis, compounds NAM-5 and NAM- 7 were tested for in vitro antitumor activity against breast cancer cell lines (MCF-7 and MDA-MB-231) and healthy mouse embryonic fibroblast cell line (3T3L-1). Amongst these, sulfonamide group-containing compound NAM-5 showed significant anti-proliferative activity with IC50 of 1.811 mu M and 2.143 mu M for MCF-7 and MDA-MB-231 cells, respectively. On the other hand, NAM-7 showed good anti-proliferative activity against MCF-7 (IC50 1.883 mu M) but slightly lower activity against MDA-MB-231 cells (IC50 4.688 mu M). The activity of both the compound was also tested on 3T3L-1 Cell line which showed activity similar to clinically approved anti-cancer drug doxorubicin (DOX). The cell death analysis by flow-cytometry confirmed apoptosis mediated cell death in 3T3L-1, MCF-7 and MDA-MB-231 cells when treated with the NAM-5 and NAM-7, respectively. The results demonstrated that the synthesized sulfonamide derivatives have significant potential as anti-cancer agents and have a substantial importance in cancer therapeutics with favourable safety profile. Structural analysis of docked poses of sulfonamide derivatives attempts to shed light on the structural basis of sulfonamide derivatives based anti-cancer effect. (C) 2021 Elsevier B.V. All rights reserved.10aAnticancer activity10aApoptosis10aBreast cancer10aHeterocyclic compounds10aMorpholine10aSulfonamide1 aMore, Namita, A.1 aJadhao, Nitin, L.1 aMeshram, Rohan, J.1 aTambe, Prajakta1 aSalve, Rajesh, A.1 aSabane, Jagjivan, K.1 aSawant, Sanskruti, N.1 aGajbhiye, Virendra1 aGajbhiye, Jayant, M. uhttps://library.ncl.res.in/content/novel-3-fluoro-4-morpholinoaniline-derivatives-synthesis-and-assessment-anti-cancer-activity02230nas a2200193 4500008004100000022001400041245009700055210006900152260000900221300001600230490000600246520156000252100002101812700002501833700001801858700001801876700001701894856012501911 2022 eng d a2470-134300aPredicting the redox potentials of phenazine derivatives using DFT-assisted machine learning0 aPredicting the redox potentials of phenazine derivatives using D cAPR  a11742-117550 v73 a

This study investigates four machine-learning (ML) models to predict the redox potentials of phenazine derivatives in dimethoxyethane using density functional theory (DFT). A small data set of 151 phenazine derivatives having only one type of functional group per molecule (20 unique groups) was used for the training. Prediction accuracy was improved by a combined strategy of feature selection and hyperparameter optimization, using the external validation set. Models were evaluated on the external test set containing new functional groups and diverse molecular structures. High prediction accuracies of R2 > 0.74 were obtained on the external test set. Despite being trained on the molecules with a single type of functional group, models were able to predict the redox potentials of derivatives containing multiple and different types of functional groups with good accuracies (R2 > 0.7). This type of performance for predicting redox potential from such a small and simple data set of phenazine derivatives has never been reported before. Redox flow batteries (RFBs) are emerging as promising candidates for energy storage systems. However, new green and efficient materials are required for their widespread usage. We believe that the hybrid DFT-ML approach demonstrated in this report would help in accelerating the virtual screening of phenazine derivatives, thus saving computational and experimental costs. Using this approach, we have identified promising phenazine derivatives for green energy storage systems such as RFBs.

1 aGhule, Siddharth1 aDash, Soumya, Ranjan1 aBagchi, Sayan1 aJoshi, Kavita1 aVanka, Kumar uhttps://library.ncl.res.in/content/predicting-redox-potentials-phenazine-derivatives-using-dft-assisted-machine-learning02189nas a2200277 4500008004100000022001400041245011600055210006900171260000900240300001100249490000800260520129600268653002201564653001301586653001501599653001501614653002001629653001301649100001901662700001901681700001701700700002501717700002201742700001801764856012901782 2022 eng d a1385-894700aProgress and potential of electrospinning-derived substrate-free and binder-free lithium-ion battery electrodes0 aProgress and potential of electrospinningderived substratefree a cFEB  a1328760 v4303 aCarbon nanofibers derived from electrospun precursors show great promise for electronic applications owing to their flexibility, conductivity, high surface area, and open structure. The integration of metal oxides and sulfides in carbon nanofibers, rather than using them with other binders, eliminates many problems caused by poor adhesion, nanomaterial agglomeration, excess mass contributed by inactive binders, and low conductivity of embedded active materials. The engineering of electrospun fibers with novel morphologies, such as core-shell, hollow, or porous structures, and the use of decorated carbon nanofibers (e.g., by electrodeposition or co precipitation) are discussed in this review. Representative schematic illustrations of the lithium-storage mechanism for these binder-free electrodes are presented. We describe how the electrospinning technique can offer a cost-effective strategy for fabrication of lightweight lithium-ion batteries with high capacity and excellent bendability. This review presents the fascinating morphologies of these specially designed carbon nanofiber electrodes, which enhance the electrochemical performance of metal oxides and sulfides, illustrating their enormous potential for use in wearable electronic devices and hybrid electric vehicles.10aCarbon nanofibers10aCo-axial10acomposites10acore-shell10aelectrospinning10aFlexible1 aJoshi, Bhavana1 aSamuel, Edmund1 aKim, Yong-il1 aYarin, Alexander, L.1 aSwihart, Mark, T.1 aYoon, Sam, S. uhttps://library.ncl.res.in/content/progress-and-potential-electrospinning-derived-substrate-free-and-binder-free-lithium-ion02781nas a2200229 4500008004100000022001400041245012800055210006900183260000800252300001600260490000700276520196500283100003002248700002102278700002002299700002302319700001802342700001802360700001802378700002402396856013102420 2022 eng d a2050-748800aPseudo-boehmite AlOOH supported NGr composite-based air electrode for mechanically rechargeable Zn-air battery applications0 aPseudoboehmite AlOOH supported NGr compositebased air electrode  cMAY a10014-100250 v103 a

Both mechanically and electrically rechargeable zinc-air batteries (ZABs) have received much interest due to their high energy density and suitability for mobile and stationary applications. However, their commercialization has been impeded by the lack of robust, low-cost and environmentally benign catalyst materials that can be easily scaled up. In this context, the present work introduces a new type of transition metal-free catalytic material (AlOOH/NGr) by anchoring the pseudo-boehmite phase of aluminium oxyhydroxide (AlOOH) nanosheets over nitrogen-doped graphene (NGr) via a single-step and straightforward hydrothermal process. Furthermore, density functional theory (DFT) based computation demonstrates that the nucleation of AlOOH starts from the N-sites and points towards the strong surface interaction between AlOOH and NGr via doped nitrogen. AlOOH/NGr consisting of thin layered pseudo-boehmite sheets uniformly distributed over NGr has displayed an oxygen reduction reaction onset potential of 0.83 V and a half-wave potential of 0.72 V, along with good catalytic durability in alkaline medium. With this, AlOOH/NGr, when used as an air electrode for fabricating a primary Zn-air battery, the system has exhibited an open circuit voltage of similar to 1.27 V with a flat discharge profile at a current rate of 10 mA cm(-2). The fabricated system delivered a specific capacity of similar to 720 mA h g(-1) and a high power density of 204 mW cm(-2) and is comparable to the counterpart system based on the state-of-the-art Pt/C (20 wt% Pt) cathode. Additionally, the homemade battery was able to maintain its performance after 4 times of mechanical recharging of the battery, which lasted for more than 35 h at a discharge current density of 10 mA cm(-2). Thus, we have uncovered the potential of an earth-abundant metal-based catalytic system for fabricating and demonstrating a robust mechanically rechargeable zinc-air battery.

1 aKharabe, Geeta, Pandurang1 aManna, Narugopal1 aNadeema, Ayasha1 aSingh, Santosh, K.1 aMehta, Shweta1 aNair, Aathira1 aJoshi, Kavita1 aKurungot, Sreekumar uhttps://library.ncl.res.in/content/pseudo-boehmite-alooh-supported-ngr-composite-based-air-electrode-mechanically-rechargeable02512nas a2200265 4500008004100000022001400041245010800055210006900163260000800232300001100240490000800251520162600259653001801885653001401903653002001917653001801937653002301955653002601978100002302004700002102027700001702048700002602065700002502091856013002116 2022 eng d a0022-328X00aReactivity of four coordinate iridium complex towards hydrogen: an experimental and computational study0 aReactivity of four coordinate iridium complex towards hydrogen a cMAY a1223170 v9653 a

Reaction of a four coordinate, 16-electron Ir complex, [Ir-(iPr)4(POCOP)(PPh3)] (4 ) (((iPr)4)(POCOP= 2,6-bis(di-isopropyl phosphinito)benzene, kappa(3)-C6H3-1,3-[OP((iPr))(2)](2)), with H-2 resulted in an oxidative addition product, cis-dihydride complex, cis-[Ir(H)(2) ((iPr)4)(POCOP)(PPh3)] ( cis-5 ) presumably via the intermediacy of a sigma complex, [Ir(eta(2)-H-2)((iPr)4)(POCOP)(PPh3)]. The cis-dihydride complex completely isomerizes to the trans-dihydride complex trans-[Ir(H)(2) ((iPr)4)(POCOP)(PPh3)] ( trans-5 ) under ambient conditions in about 3 h. It was found that the steric and electronic features on the iridium center have significant influence on the approach of H-2 onto the metal center followed by oxidative addition and isomerization. The isomerization process was studied in detail and all the mechanistic aspects have been elucidated using a combination of both experimental work and computation. The cis-dihydride complex isomerizes to the trans-dihydride by compensating the trans influence of the strongly trans-directing hydride ligand. A mechanism involving the exchange of the position of PPh3 with a hydride ligand cis to itself via PPh3 dissociation and re-coordination thereby resulting in the formation of the trans-dihydride complex, has been proposed for the isomerization. The cis-dihydride was found to be a highly active catalyst for hydrogenation of ethy-lene. A competing reactivity study of cis-dihydride between isomerization versus insertion of C2H4 into the Ir-H bond, was studied experimentally and computationally. (c) 2022 Elsevier B.V. All rights reserved.

10aHydrogenation10aInsertion10airidium complex10aisomerization10aOxidative addition10aReductive elimination1 aAgrawal, Nisha, K.1 aDash, Soumya, R.1 aVanka, Kumar1 aNethaji, Munirathinam1 aJagirdar, Balaji, R. uhttps://library.ncl.res.in/content/reactivity-four-coordinate-iridium-complex-towards-hydrogen-experimental-and-computational01788nas a2200229 4500008004100000022001400041245010800055210006900163260000800232300001500240490000800255520098800263653001401251653001201265653001401277653001501291653004801306100002601354700003001380700002501410856012301435 2022 eng d a0018-019X00aRecent developments in the applications of biomass-derived sulfonated carbonaceous solid acid catalysts0 aRecent developments in the applications of biomassderived sulfon cAUG ae2022000320 v1053 a

Recently, carbon-based materials are gaining a lot of attraction. It is considered as an emerging area of research and has gained significant importance as an efficient catalyst/material in various fields. Biomass is abundantly available, cheap and a renewable carbon resource. Sulfonated carbonaceous solid acid catalyst can be derived by sulfonation of various sources of biomass such as sugars, lignin, fruit waste, agro-waste, bio-char, etc. Sulfonated carbonaceous solid acid catalysts can be used as a substitute to liquid acids. These catalysts possess a stable carbon skeleton and are insoluble in almost all organic solvents as well as under acidic/basic conditions. This review covers details about biomass-derived sulfonated carbonaceous solid acid catalysts and its catalytic activities in many important transformations such as hydrolysis of cellulose, synthesis of biodiesel, synthesis of various important chemicals and for various organic transformations.

10aBiodiesel10aBiomass10acellulose10aHydrolysis10asulfonated carbonaceous solid acid catalyst1 aKirdant, Swapnali, P.1 aTamboli, Asma, T. Biradar1 aJadhav, Vrushali, H. uhttps://library.ncl.res.in/content/recent-developments-applications-biomass-derived-sulfonated-carbonaceous-solid-acid02290nas a2200241 4500008004100000022001400041245012600055210006900181260000800250300001100258490000700269520141500276653002201691653001801713653001701731653004501748653003301793100002501826700002601851700002101877700002101898856012901919 2022 eng d a2212-982000aReduction of carbon dioxide to dimethylformamide using ruthenium doped Mg/Al hydrotalcites under supercritical conditions0 aReduction of carbon dioxide to dimethylformamide using ruthenium cJUL a1020550 v613 a

The utilization of carbon dioxide is one of the developing areas due to its significant contribution to global warming. Reducing carbon dioxide (CO2) to formic acid and its derivatives has gained importance because of its thermodynamic limitations and high industrial demand. In this article, we report the synthesis of dime-thylformamide (DMF) using ruthenium doped Mg/Al calcined hydrotalcite by CO2 hydrogenation in the presence of dimethylamine (DMA). At optimized conditions, complete conversion of dimethylamine was achieved with more than 92% product yield at 170 degrees C and 13 MPa pressure with a reaction time of 6 h. Key catalyst properties were determined using X-ray powder diffraction (XRD), X-ray photoelectron spectroscopy (XPS), CO2-temper-ature programmed desorption (TPD), H-2 temperature-programmed reduction (TPR) and Fourier transform infrared (FTIR). The determination of surface morphology was carried out using field emission scanning electron microscope (FE-SEM) and high-resolution transmission electron microscopy (HR-TEM). At the same time, the chemical composition was verified by energy-dispersive X-ray (EDS). In addition, kinetic modeling is performed using the two site Langmuir-Hinshelwood-Hougen-Watson model. The regressed kinetic parameters gave an appropriate fit with experimental concentration values and activation energy is calculated as 413 kJ/mol K-1.

10aDimethylformamide10aHydrogenation10ahydrotalcite10aLangmuir-Hinshelwood-Hougen-Watson model10aSupercritical carbon dioxide1 aChaudhary, Sagar, D.1 aRahatade, Shardul, S.1 aJoshi, Sunil, S.1 aMali, Nilesh, A. uhttps://library.ncl.res.in/content/reduction-carbon-dioxide-dimethylformamide-using-ruthenium-doped-mgal-hydrotalcites-under01546nas a2200229 4500008004100000022001400041245008800055210006900143260000800212300001100220490000800231520076100239653003201000653002001032653002401052653001701076653002601093653002801119100002701147700002701174856011501201 2022 eng d a0021-899500aReinforcement of electrospun polyurethane fibers with resorcinol-formaldehyde resin0 aReinforcement of electrospun polyurethane fibers with resorcinol cMAY ae520070 v1393 a

This work reports a simple method to improve the properties of electrospun nanofibers. The procedure involves developing nanofibers using electrospinning followed by liquid infiltration to reinforce the fibers. Coating of polyurethane nanofibers (PUN) with resorcinol-formaldehyde (RF) significantly improves the properties of PUN. Furthermore, the morphology of fiber interface and the properties of RF coated fibers indicate that RF resin reinforces the interface between the fibers. The method leads to improvement in mechanical properties of PUN. An improvement of about 94% and 281% in mechanical properties like tensile strength and modulus, respectively, compared to neat PUN fibers is achieved by coating with 20% wt/vol of RF solution.

10aDynamic mechanical analysis10aelectrospinning10aliquid infiltration10apolyurethane10areinforced nanofibers10aresorcinol-formaldehyde1 aNair, Kiran, Sukumaran1 aJames, Nirmala, Rachel uhttps://library.ncl.res.in/content/reinforcement-electrospun-polyurethane-fibers-resorcinol-formaldehyde-resin02242nas a2200217 4500008004100000022001400041245012000055210006900175260000800244300001400252490000800266520146600274653002001740653001701760653001801777653004101795100002301836700002101859700002101880856012301901 2022 eng d a1011-372X00aReusable and efficient polystyrene immobilized ionic liquid catalyst for batch and flow methylation of hydroquinone0 aReusable and efficient polystyrene immobilized ionic liquid cata cNOV a3304-33160 v1523 a

An environmentally benign process for synthesizing 4-methoxyphenol through methylation of hydroquinone using polystyrene immobilized Bronsted acidic ionic liquid is presented. The catalyst has been characterized by several techniques, such as solid-state NMR, FTIR, and XRD. The morphological properties were analyzed through SEM and TEM analysis. The elemental analysis was performed using EDS and XPS techniques. The catalyst was thermally stable up to 603 K, which was confirmed by TGA. The chemical interaction between ionic liquid and polystyrene was confirmed by measuring the glass transition temperature of pure polystyrene and catalyst. The BET analysis was performed to estimate the catalyst's surface area, pore size, and pore volume. The recyclability of the proposed new catalyst was established up to five recycle runs in the batch mode. In addition, continuous flow experiments were conducted to test the catalytic activity in terms of catalyst life span and showed excellent stability up to 20 h. The rapid separation, long-term stability, and efficient recycling of synthesized polymeric catalysts make an excellent alternative to the commonly used homogeneous catalysts for selective O-methylation of hydroquinone reaction. The newly developed continuous process for synthesizing 4-methoxyphenol with 100% selectivity suggests good opportunities to reduce energy consumption, which designates a cost-effective process. [GRAPHICS] .

10a4-Methoxyphenol10aHydroquinone10aO-methylation10aPolystyrene immobilized ionic liquid1 aBhongale, Priyanka1 aJoshi, Sunil, S.1 aMali, Nilesh, A. uhttps://library.ncl.res.in/content/reusable-and-efficient-polystyrene-immobilized-ionic-liquid-catalyst-batch-and-flow02650nas a2200301 4500008004100000022001400041245011700055210006900172260000900241300001100250490000800261520170500269653002201974653001301996653001502009653001502024653002002039653001302059653001102072653001902083100001902102700001902121700001702140700002502157700002202182700001802204856012602222 2022 eng d a0010-854500aReview of recent progress in electrospinning-derived freestanding and binder-free electrodes for supercapacitors0 aReview of recent progress in electrospinningderived freestanding cJUN  a2144660 v4603 a

The versatile electrospinning technique is scalable and suitable to fabricate highly conducting freestanding carbon nanofiber composite electrodes for energy storage devices. Freestanding/flexible electrodes hold enormous potential for use in wearable electronic devices. Carbon-yielding polymers and the optimal use of sacrificial polymers, metal oxides, and sulfides retain the flexibility and enhance the surface area and pseudocapacitance of electrodes. Both as-prepared electrospun fibers and carbonized nanofibers are compatible with surface decoration via various chemical and electrochemical routes. Metal oxides/sulfides with various morphologies, such as nanocones and nanosheets, can be grown on the carbon nanofibers or on the as-prepared electrospun fibers using chemical synthesis methods such as electro-deposition, hydrothermal processes, and chemical impregnation to enhance the pseudocapacitance of the electrodes. Similarly, the deposition of metal organic frameworks on as-prepared electrospun fibers embellishes these fibers with nanostructures of specific morphologies such as dodecahedral and spindle-shaped structures. Under optimal conditions, these morphologies do not hamper the flexibility of the fibers, and binders are not required to retain them or maintain the electrode integrity. The engineering of electrodes with various morphologies and process parameters is presented systematically. Electrospinning-derived electrodes that have demonstrated significant electrochemical performance are highlighted and critically analyzed, and the energy storage mechanisms of these supercapacitors are described in detail. (C) 2022 Elsevier B.V. All rights reserved.

10aCarbon nanofibers10aCo-axial10acomposites10acore-shell10aelectrospinning10aFlexible10aPorous10asupercapacitor1 aJoshi, Bhavana1 aSamuel, Edmund1 aKim, Yong-il1 aYarin, Alexander, L.1 aSwihart, Mark, T.1 aYoon, Sam, S. uhttps://library.ncl.res.in/content/review-recent-progress-electrospinning-derived-freestanding-and-binder-free-electrodes02735nas a2200169 4500008004100000022001400041245012600055210006900181260000800250300001400258490000700272520210000279100001702379700001702396700002502413856012702438 2022 eng d a1463-926200aReview on non-noble metal catalysts for glycerol hydrodeoxygenation to 1,2-propanediol with and without external hydrogen0 aReview on nonnoble metal catalysts for glycerol hydrodeoxygenati cSEP a6751-67810 v243 a

The depleting petroleum oil resources, political embargos, and global warming dilemma have made it mandatory to develop alternative green technologies for energy and chemical production. Glycerol is one of the top-12 building block chemicals that can be mainly obtained as a coproduct of biodiesel production. The value addition of glycerol is only possible through its conversion to commodity and fine chemicals. Glycerol hydrogenolysis is one of the crucial pathways to produce several value-added products, among which 1,2-propanediol (1,2-PDO), 1,3-propanediol (1,3-PDO), ethylene glycol (EG) and 1-and/or 2-propanols are hydrogenolysis products. Selective glycerol hydrogenolysis to the desired product 1,2-PDO is only possible through the catalyst having an optimum combination of acid/base and metal sites (metallic and mixed oxides). The present review mainly focuses on the critical assessment of the influence of different supports, catalyst preparation methods, and/or pretreatment on structural, and electronic properties and simultaneously on the activity and product selectivity of non-noble metal catalysts. The role of reaction parameters in this industrially important reaction on catalyst performance will also be presented. A rigorous survey of patented literature on non-noble metal-catalyzed glycerol hydrogenolysis to 1,2-PDO is also discussed. Further, the review covers recent progress on non-noble metal-catalyzed autogenous glycerol hydrogenolysis through glycerol aqueous phase reforming (APR) and/or catalytic transfer hydrogenolysis (CTH), to overcome the cost and handling issues of external hydrogen. Finally, techno-economic analysis is also presented which compares the glycerol hydrogenolysis with and without external hydrogen with the conventional process of 1,2-PDO production. This analysis indicated that CTH and glycerol hydrogenolysis under ambient hydrogen pressure have the potential for commercialization, however catalyst stability and elimination of co-product formation at higher glycerol concentration need to be considered critically.

1 aMane, Rasika1 aJeon, Yukwon1 aRode, Chandrashekhar uhttps://library.ncl.res.in/content/review-non-noble-metal-catalysts-glycerol-hydrodeoxygenation-12-propanediol-and-without02009nas a2200241 4500008004100000022001400041245006900055210006900124260000800193300001100201490000800212520131900220653001201539653001201551653000801563653001601571653002501587653000801612100001801620700002001638700001801658856009101676 2022 eng d a0039-602800aRole of facet in the competitive pathway of ethylene epoxidation0 aRole of facet in the competitive pathway of ethylene epoxidation cFEB a1219540 v7163 aEthylene epoxide (EtO) is used as raw material for a broad range of products from pharmaceuticals and plastics to paints and adhesives. Although the reaction of ethylene interacting with preadsorbed oxygen on Ag surface is known for decades, the underlying mechanism of EtO formation is not completely understood. Successful investigation of oxametallacycle (OMC) intermediate common to selective as well as non-selective pathways has ensured at least 50% selectivity. The current study brings out the electronic signatures of distinct conformers of OMC stabilised on two different facets of Ag viz. (100) and (111). There are subtle differences between OMC conformers observed on these two facets with near-eclipsed on Ag(100) and near-staggered on Ag(111). A detailed analysis of Ag-O, C-O, C-C, and Ag-C interactions along with projected Density of States (pDOS) and projected Crystal Orbital Hamilton Population (pCOHP) imply towards ring closure on Ag(100) and hydrogen transfer on Ag(111). Finally, our understanding based on electronic and structural signatures are backed up by activation barriers computed through NEB calculations. Activation barrier for EtO is lower on (100) as compared to (111) facet. Thus, our study sheds light on how these differences between OMC affect the selectivity towards EtO.10aAg(100)10aAg(111)10aDFT10aepoxidation10aEthylene Oxide (EtO)10aOMC1 aNair, Aathira1 aKenge, Nivedita1 aJoshi, Kavita uhttps://library.ncl.res.in/content/role-facet-competitive-pathway-ethylene-epoxidation01044nas a2200229 4500008004100000022001400041245009800055210006900153260000800222300001500230490000700245520028900252653001800541653001900559653002200578653001400600653001800614100002400632700002000656700001500676856012300691 2022 eng d a1861-472800aRongalite as a sulfone source: sulfonylation of para-quinone methides and alkyl/allyl halides0 aRongalite as a sulfone source sulfonylation of paraquinone methi cAUG ae2022004080 v173 a

A one-pot three-component reaction using p-quinone methides, rongalite and alkyl/allyl halides has been described. The corresponding unsymmetrical sulfones were obtained in good yields under mild reaction conditions in the absence of any metal, base or any other additive.

10aAlkyl halides10adiaryl methine10ap-Quinone methide10arongalite10asulfonylation1 aKale, Someshwar, B.1 aJori, Popat, K.1 aDas, Utpal uhttps://library.ncl.res.in/content/rongalite-sulfone-source-sulfonylation-para-quinone-methides-and-alkylallyl-halides02198nas a2200241 4500008004100000245009300041210006900134260000800203300001100211490000700222520140600229653001701635653002101652653002301673653002401696653001701720100002101737700001801758700002001776700001701796700001901813856012401832 2022 eng d00aSilk fibroin and recombinant elastin blend nano-coatings for implantable medical devices0 aSilk fibroin and recombinant elastin blend nanocoatings for impl cDEC a1048750 v333 a

Silicone breast implants are conventionally used to reconstruct the shape and size of the breast in breast cancer patients. However, rate of failure of implants due to formation of capsular contracture is significantly high. Recent studies have shown that coating the surface of the implant with a biocompatible polymer can mitigate this risk. Here, we have modified the surface of implant using a biocompatible natural biopolymer silk fibroin (SF). Further, we have developed formulations of SF with a recombinantly produced elastin-like-peptide (ELP) and compared their performance with a known anti-fouling hydrophilic polymer - polyethylene oxide (PEO). Microscopic and spectroscopic characterization confirm the formation of uniform coatings. These coatings have been also characterized for their ability to resists crack formation. Further, the coatings have been evaluated for their biological performance. Our studies show that addition of 25 wt% of ELP to SF significantly enhances the crack resistance for the coatings. In addition, SF/ELP coatings reduce the adsorption of blood plasma proteins by more than 80 %. Preliminary analysis shows that the SF/ELP blend coatings are non-cytotoxic and support adhesion, growth and proliferation of fibroblast cells. The study therefore demonstrates that SF/ELP coatings have the potential to mitigate the risk of breast implant failure.

10aBlood plasma10aCrack resistance10aProtein adsorption10aRecombinant elastin10aSilk fibroin1 aJoseph, Emmanuel1 aKane, Kartiki1 aParekh, Nimisha1 aNisal, Anuya1 aJanorkar, Amol uhttps://library.ncl.res.in/content/silk-fibroin-and-recombinant-elastin-blend-nano-coatings-implantable-medical-devices01579nas a2200205 4500008004100000022001400041245014300055210007100198260000800269300001200277490000600289520081600295100002401111700002201135700001801157700002601175700001701201700002201218856013301240 2022 eng d a2052-412900aSilver-catalyzed [3 + 3]-annulation cascade of alkynyl alcohols and α,β-unsaturated ketones for the regioselective assembly of chromanes0 aSilvercatalyzed 3 3annulation cascade of alkynyl alcohols and αβ cJAN a802-8090 v93 aAn unprecedented Ag(i)-catalyzed [3 + 3]-annulation of alkynyl alcohols (5-hexyn-1-ols) and α,β-unsaturated ketones is reported to construct simple to complex chromanes. This transformation begins with hydroalkoxylation of alkynol through C–C triple bond activation to give cyclic-enol ether, followed by intermolecular 1,4-addition and intramolecular 1,2-addition of enol ethers onto the enone and oxidative aromatization or Grob-type elimination steps. Facile reaction conditions, broad substrate scope, good to excellent yields, and atom economy are the salient features of this protocol. Isolation of the active pyran-tethered cyclohexadiene reaction intermediate, additional supporting experiments, and DFT calculations strongly support the experimental findings and corroborate our proposed mechanism.1 aNakate, Ashwini, K.1 aThorat, Sagar, S.1 aJain, Shailja1 aKrishna, Gamidi, Rama1 aVanka, Kumar1 aKontham, Ravindar uhttps://library.ncl.res.in/content/silver-catalyzed-3-3-annulation-cascade-alkynyl-alcohols-and-%CE%B1%CE%B2-unsaturated-ketones02061nas a2200193 4500008004100000022001400041245008600055210006900141260000800210300001200218490000700230520140400237100001801641700002701659700001501686700002801701700001701729856012101746 2022 eng d a2162-253100aSmall molecule quercetin binds MALAT1 triplex and modulates its cellular function0 aSmall molecule quercetin binds MALAT1 triplex and modulates its  cDEC a241-2560 v303 a

The triple-helix structure at the 30 end of metastasis-associated lung adenocarcinoma transcript 1 (MALAT1), a long non -cod-ing RNA, has been considered to be a target for modulating the oncogenic functions of MALAT1. This study examines the binding of quercetin-a known triplex binding molecule-to the MALAT1 triplex. By employing UV-visible spectroscopy, circular dichroism spectroscopy, and isothermal titration calo-rimetry, we observed that quercetin binds to the MALAT1 triplex with a stoichiometry of 1:1 and Kd of 495 +/- 61 nM, along with a negative change in free energy, indicating a spontaneous interaction. Employing real-time PCR measurements, we observed around 50% downregulation of MALAT1 transcript levels in MCF7 cells, and fluorescence in situ hybridization (FISH) experiments showed concomitantly reduced levels of MALAT1 in nuclear speckles. This interaction is likely a result of a direct interaction between the molecule and the RNA, as indicated by a transcription-stop experiment. Further, tran-scriptome-wide analysis of alternative splicing changes induced by quercetin revealed modulation of MALAT1 downstream genes. Collectively, our study shows that quercetin strongly binds to the MALAT1 triplex and modulates its functions. It can thus be used as a scaffold for further development of ther-apeutics or as a chemical tool to understand MALAT1 func-tions.

1 aRakheja, Isha1 aAnsari, Asgar, Hussain1 aRay, Arjun1 aJoshi, Dheeraj, Chandra1 aMaiti, Souvi uhttps://library.ncl.res.in/content/small-molecule-quercetin-binds-malat1-triplex-and-modulates-its-cellular-function00697nas a2200169 4500008004100000022001400041245016500055210006900220260000800289300001000297490000700307100003100314700002200345700001600367700001600383856012800399 2022 eng d a0003-021X00aStatistical optimization of media for enhancing intracellular lipid content in Yarrowia lipolytica NCIM 3589 grown on waste cooking oil for biodiesel production0 aStatistical optimization of media for enhancing intracellular li cOCT a55-560 v991 aJagtap, Shubhangi, Ramling1 aRaviKumar, Ameeta1 aRaut, Gouri1 aKumar, Ravi uhttps://library.ncl.res.in/content/statistical-optimization-media-enhancing-intracellular-lipid-content-yarrowia-lipolytica02802nas a2200445 4500008004100000022001400041245013400055210006900189260000800258300001400266490000800280520142600288653001901714653001201733653002101745653001101766653001901777653003601796653001101832100002001843700001801863700002701881700002301908700002101931700001901952700003101971700002602002700002002028700002002048700001802068700001602086700001602102700002002118700002202138700001702160700001802177700002002195700001902215856012202234 2022 eng d a0028-646X00aSteroidal alkaloids defence metabolism and plant growth are modulated by the joint action of gibberellin and jasmonate signalling0 aSteroidal alkaloids defence metabolism and plant growth are modu cFEB a1220-12370 v2333 aSteroidal glycoalkaloids (SGAs) are protective metabolites constitutively produced by Solanaceae species. Genes and enzymes generating the vast structural diversity of SGAs have been largely identified. Yet, mechanisms of hormone pathways coordinating defence (jasmonate; JA) and growth (gibberellin; GA) controlling SGAs metabolism remain unclear. We used tomato to decipher the hormonal regulation of SGAs metabolism during growth vs defence tradeoff. This was performed by genetic and biochemical characterisation of different JA and GA pathways components, coupled with in vitro experiments to elucidate the crosstalk between these hormone pathways mediating SGAs metabolism. We discovered that reduced active JA results in decreased SGA production, while low levels of GA or its receptor led to elevated SGA accumulation. We showed that MYC1 and MYC2 transcription factors mediate the JA/GA crosstalk by transcriptional activation of SGA biosynthesis and GA catabolism genes. Furthermore, MYC1 and MYC2 transcriptionally regulate the GA signalling suppressor DELLA that by itself interferes in JA-mediated SGA control by modulating MYC activity through protein-protein interaction. Chemical and fungal pathogen treatments reinforced the concept of JA/GA crosstalk during SGA metabolism. These findings revealed the mechanism of JA/GA interplay in SGA biosynthesis to balance the cost of chemical defence with growth.10aalpha-tomatine10adefence10agibberellin (GA)10agrowth10ajasmonate (JA)10asteroidal glycoalkaloids (SGAs)10aTomato1 aPanda, Sayantan1 aJozwiak, Adam1 aSonawane, Prashant, D.1 aSzymanski, Jedrzej1 aKazachkova, Yana1 aVainer, Andrii1 aKilambi, Himabindu, Vasuki1 aAlmekias-Siegl, Efrat1 aDikaya, Varvara1 aBocobza, Samuel1 aShohat, Hagai1 aMeir, Sagit1 aWizler, Guy1 aGiri, Ashok, P.1 aSchuurink, Robert1 aWeiss, David1 aYasuor, Hagai1 aKamble, Avinash1 aAharoni, Asaph uhttps://library.ncl.res.in/content/steroidal-alkaloids-defence-metabolism-and-plant-growth-are-modulated-joint-action01587nas a2200229 4500008004100000022001400041245015600055210006900211260000800280300001400288490000700302520073500309653002101044653002001065653001401085653003501099653003501134100002301169700002201192700001701214856012601231 2022 eng d a0253-296400aStudies toward the total synthesis of (+)-neopeltolide using N-heterocyclic carbene-catalyzed oxo-acyloxylation/reductive oxa-Michael addition strategy0 aStudies toward the total synthesis of neopeltolide using Nhetero cOCT a1169-11720 v433 a

This article describes a concise synthesis of two important fragments (tetrahydropyran [THP] and ketone moieties) of the cytotoxic macrolide (+)-neopeltolide in 10 long linear steps in enantiomerically pure form. Asymmetric Keck allylation to install the required C11 and C13 stereocenters, N-heterocyclic carbene (NHC)-catalyzed oxoacyloxylation to functionalize alkenes, and reductive oxa-Michael addition to construct 2,6-difunctionalized THP unit intramolecularly are the important steps in synthetic efforts. Finally, Keck asymmetric allylation and Lewis acid-catalyzed diastereoselective allylation of the aldehyde were sequentially employed to establish the stereocenters at C11 and C13 positions, respectively.

10a(+)-neopeltolide10aKeck allylation10aMacrolide10aNHC-catalyzed oxoacyloxylation10areductive oxa-Michael addition1 aReddi, Rambabu, N.1 aSudalai, Arumugam1 aJo, Changbum uhttps://library.ncl.res.in/content/studies-toward-total-synthesis-neopeltolide-using-n-heterocyclic-carbene-catalyzed-oxo02117nas a2200265 4500008004100000022001400041245017000055210006900225260000800294300001100302490000800313520115400321653002801475653001101503653001601514653001901530653003301549653002201582100003101604700002101635700002101656700002301677700002101700856013001721 2022 eng d a0008-621500aSubcritical water hydrolysis of N-acetyl-D-glucosamine: hydrolysis mechanism, reaction pathways and optimization for selective production of 5-HMF and levulinic acid0 aSubcritical water hydrolysis of NacetylDglucosamine hydrolysis m cJUN a1085600 v5163 a

In this study, the subcritical water hydrolysis of N-acetyl-D-glucosamine (NAG), a monomer of abundant renewable marine biopolymer chitin, for production of value-added chemicals is investigated. The enhanced ionization of water at subcritical conditions (200 degrees C; 50-100 bar), provides enough acidity for deacetylation of NAG resulting in 80% yield of acetic acid along with traces of formic acid, lactic acid, glucose, fructose, 5hydroxymethylfurfural (5-HMF),etc. The significant humin formation indicates that the self-condensation and polymerisation of 5-HMF is favored in water at subcritical conditions. A catalyst p-toluenesulfonic acid (p-TsOH) was employed to selectively convert NAG to levulinic acid (LA) via ring opening of 5-HMF previously formed during hydrolysis. The maximum yield of 27.13 +/- 1% and 53.46 +/- 1% of 5-HMF and LA, respectively, was obtained at process conditions optimized using Box-Behnken design coupled with response surface methodology. Subcritical water enables greener conversion of NAG to platform chemicals wherein the selective production can be achieved by tuning the process conditions.

10a5-Hydroxymethylfurfural10achitin10aGlucosamine10alevulinic acid10aResponse surface methodology10aSubcritical water1 aKulkarni, Sphurti, Prakash1 aDure, Shital, N.1 aJoshi, Sunil, S.1 aPandare, Kiran, V.1 aMali, Nilesh, A. uhttps://library.ncl.res.in/content/subcritical-water-hydrolysis-n-acetyl-d-glucosamine-hydrolysis-mechanism-reaction-pathways02272nas a2200277 4500008004100000022001400041245014400055210006900199260000800268300001100276490000800287520127700295653002101572653002101593653003001614653003001644653001501674653002701689100002901716700002101745700002201766700002701788700002701815700002201842856013001864 2022 eng d a0169-433200aSurface alteration driven bi-functional catalytic activity of alkali niobate-N doped graphene composite for exalted oxygen electrochemistry0 aSurface alteration driven bifunctional catalytic activity of alk cAPR a1521600 v5803 aIn this work, we establish that surface reconstruction, oxygen vacancies —specifically those located on the catalyst surface, and high crystallinity can be effective in tuning the catalytic activity of perovskite oxides. We report a high-performance electrocatalyst with an orthorhombic perovskite structure (NaNbO3), having an anisotropic surface layer and high crystallinity that exhibits superior activity and durability for the bi-functional oxygen electrochemistry compared to that of a similar perovskite composition with an isotropic surface layer and low crystallinity. The improvement in the electrocatalytic activity for oxygen evolution reaction (OER) and oxygen reduction reaction (ORR) is mainly attributed to the formation of an easy diffusion path on the surface layer due to the ionic movements, enhanced intrinsic activity of the catalytic sites resulting from the higher crystallinity, high oxygen vacancies and a large electrochemically active surface area. The sole key parameter in achieving all the acquired characteristics is the annealing temperature. We believe that the straightforward method of bringing the desired combination of properties by just tweaking the annealing temperature is handy and energy-efficient, and hence easily adoptable.10aBi-functionality10aN-doped graphene10aOxygen Evolution Reaction10aoxygen reduction reaction10aperovskite10aSurface reconstruction1 aJhajharia, Suman, Kumari1 aGupta, Shashaank1 aManappadan, Zinoy1 aSelvaraj, Kaliaperumal1 aPadmanabhan, Myoor, K.1 aMahajan, Roop, L. uhttps://library.ncl.res.in/content/surface-alteration-driven-bi-functional-catalytic-activity-alkali-niobate-n-doped-graphene02222nas a2200205 4500008004100000022001400041245008700055210006900142260000900211300001400220490000600234520154700240100001801787700001601805700001701821700002101838700002101859700002101880856011501901 2022 eng d a2398-490200aSustainable composite of SnFe2O4 conversion alloying anode for lithium-ion storage0 aSustainable composite of SnFe2O4 conversion alloying anode for l cAUG  a3806-38170 v63 a

The development of high-performance, low-cost electrodes using sustainable materials for Li-ion batteries is of vital importance in view of their increasing demand for use in electronics and electric vehicles, as we transition from non-renewable energy resources. Challenges associated with commercial graphite anode materials include relatively low capacity, the use of high-temperature synthesis, Li dendrite formation, and limited rate capability. In this study, we present a tin ferrite SnFe2O4 (SFO) conversion alloying material (CAM), and its synergistic composite with a scalable and low-cost waste-derived carbon (WDC), which was prepared by low-temperature pyrolysis of a waste material sustainably. The combination of SFO with the WDC in the composite boosts the conductivity, diffusion kinetics, stability, and reversibility, and accommodates volume expansion upon cycling. The first charge capacity obtained for WDC, SFO, and SFO-WDC is 595, 1269, and 1331 mA h g(-1), respectively at 100 mA g(-1) in a Li-ion half-cell. In a full cell fabricated with LFP, a stable capacity of 80 mA h g(-1) at 100 mA g(-1) could be obtained, and the corresponding energy density for the SFO-WDCIILFP full cell is 300 W h kg(-1). Kinetic studies revealed that capacitance-controlled charge storage is dominant so the capacity was higher in the composite. This composite system addresses both the low capacity issue of the carbon anode and stability issues of CAMs while being compatible for use with current Li-ion battery technology.

1 aYadav, Poonam1 aParte, Golu1 aMalik, Wahid1 aSabri, Ylias, M.1 aJones, Lathe, A.1 aShelke, Manjusha uhttps://library.ncl.res.in/content/sustainable-composite-snfe2o4-conversion-alloying-anode-lithium-ion-storage02482nas a2200277 4500008004100000022001400041245014400055210006900199260000800268300001200276490000800288520150900296653002801805653002301833653002801856653002101884653002401905100002101929700002501950700002101975700001701996700001802013700001902031700002802050856012602078 2022 eng d a1022-135200aSynthesis and characterization of partially biobased aromatic (Co)polycarbonates containing biphenylene units and pendant pentadecyl chains0 aSynthesis and characterization of partially biobased aromatic Co cJUL a21004490 v2233 a

2-Pentadecyl-[1,1''-biphenyl]-4,4''-diol (PBD) is synthesized starting from cashew nut shell liquid-a by-product of cashew processing industry. A new series of partially biobased aromatic (co)polycarbonates possessing biphenylene units and pendant pentadecyl chains is synthesized by solution polycondensation of PBD or varying compositions of PBD and bisphenol-A with triphosgene in dry dichloromethane. Inherent viscosities and number average molecular weights of (co)polycarbonates are in the range 0.51-1.24 dL g(-1) and 18 x 10(3)- 43.4 x 10(3) g mol(-1), respectively indicating the formation of reasonably high molecular weight polymers. Flexible, transparent, and free-standing films of (co)polycarbonates can be cast from chloroform solution. (Co)polycarbonates are characterized using Fourier transform infrared spectroscopy (FTIR), H-1 NMR, C-13 NMR spectroscopy, X-ray diffraction (XRD), differential scanning calorimetry, and thermogravimetric analysis. T-10 and T-g values of (co)polycarbonates are in the range 417-433 and 8-147 degrees C, respectively. It is demonstrated that the T-g values can be tuned by incorporation of appropriate mol% of PBD as a comonomer in Bisphenol-A-based copolycarbonates. The lowering of the T-g values of (co)polycarbonates can be attributed primarily to the packing disruptive effect of flexible pentadecyl chains. Furthermore, the effect of incorporation of PBD as a comonomer on water contact angle values of (co)polycarbonates is evaluated.

10aaromatic polycarbonates10abiobased bisphenol10aCashew nut shell liquid10apentadecyl chain10aRenewable resources1 aIchake, Amol, B.1 aNagane, Samadhan, S.1 aJadhav, Uday, A.1 aTorris, Arun1 aGrau, Etienne1 aCramail, Henri1 aWadgaonkar, Prakash, P. uhttps://library.ncl.res.in/content/synthesis-and-characterization-partially-biobased-aromatic-copolycarbonates-containing02255nas a2200289 4500008004100000022001400041245013300055210006900188260000800257300001400265490000700279520128400286653001701570653002701587653003101614653001301645653001301658100002601671700002301697700002001720700002001740700002201760700002401782700001901806700002301825856011701848 2022 eng d a1040-663800aSynthesis of new thiazole and pyrazole clubbed 1,2,3-triazol derivatives as potential antimycobacterial and antibacterial agents0 aSynthesis of new thiazole and pyrazole clubbed 123triazol deriva cJUL a3216-32370 v423 a

New series of 4-methyl-2-(4-substituted phenyl)-5-(4-((4-(4-substituted phenyl)-1H-1,2,3-triazol-1-yl)methyl)-1-phenyl-1H-pyrazol-3-yl)thiazole, 6a-t and 4-(1,3-diphenyl-1H-pyrazol-4-yl)-1-((1,3-diphenyl-1H-pyrazol-4-yl)methyl )-1H-1,2,3-triazole, 11a-o derivatives have been synthesized by applying copper-catalyzed [3 + 2] cycloaddition reaction. The newly synthesized 1,3-thiazolyl-pyrazolyl-1,2,3-triazole (6a-t) and bis-pyrazolyl-1,2,3-triazole (11a-o) derivatives were screened for in vitro antimycobacterial activity against M. Tuberculosis H37Ra dormant and active and antibacterial activity against four pathogenic bacteria, E. coli (NCIM 2576), P. flurescence (NCIM 2059), S. aureus (NCIM 2602) and B. subtilis (NCIM 2162). Compounds 6a, 6f, 6j, 11e and 11m showed good activity against M tuberculosis H37Ra Active strain, also compounds 6g, 6h, 11f, 11n and 11o showed good activity against M tuberculosis H37Ra Dormant strain. Compounds 6b, 6i, 6l, 6o, 6r, 11k, 11l and 11m showed good activity against B. subtilis with IC50 1.99-2.96 mu g/mL. The antibacterial activity of thiazolyl-pyrazolyl-1,2,3-triazole and bis-pyrazolyl-1,2,3-triazole derivatives suggested that, these derivatives could lead to new compounds for treatment against bacterial infection.

10a123-Triazole10aantibacterial activity10aantimycobacterial activity10aPyrazole10aThiazole1 aJagadale, Shivaji, M.1 aAbhale, Yogita, K.1 aPawar, Hari, R.1 aShinde, Abhijit1 aBobade, Vivek, D.1 aChavan, Abhijit, P.1 aSarkar, Dhiman1 aMhaske, Pravin, C. uhttps://library.ncl.res.in/content/synthesis-new-thiazole-and-pyrazole-clubbed-123-triazol-derivatives-potential01754nas a2200145 4500008004100000245010300041210006900144260000800213490000600221520119000227100002601417700002001443700002601463856011901489 2022 eng d00aTailoring the properties of Ni(111)/graphone interfaces by intercalation of Al and Na: a DFT study0 aTailoring the properties of Ni111graphone interfaces by intercal cNOV0 v83 a

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

1 aArchana, Ramakrishnan1 aJoshi, Niharika1 aRaja, Thirumalaiswamy uhttps://library.ncl.res.in/content/tailoring-properties-ni111graphone-interfaces-intercalation-al-and-na-dft-study02774nas a2200169 4500008004100000022001400041245010700055210006900162260000900231300001000240490000600250520215600256100002102412700002402433700001602457856013102473 2022 eng d a0930-777X00aThermal and crystallization behaviour of polyphenylene sulfide in engineering polymer blends with HDPE0 aThermal and crystallization behaviour of polyphenylene sulfide i cFEB  a53-580 v23 a

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

1 aNadkarni, V., M.1 aShingankuli, V., L.1 aJog, J., P. uhttps://library.ncl.res.in/content/thermal-and-crystallization-behaviour-polyphenylene-sulfide-engineering-polymer-blends-hdpe01515nas a2200253 4500008004100000022001400041245006700055210006400122260000800186300001500194490000900209520070300218653001600921653003500937653002100972653002900993653002001022100002101042700002701063700002601090700002601116700002101142856009801163 2022 eng d a1434-193X00aTotal synthesis of 12, 13-dibenzyl-banistenoside B and analogs0 aTotal synthesis of 12 13dibenzylbanistenoside B and analogs cMAY ae2022002220 v20223 a

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

10aAu-catalyst10aMultiple steps total synthesis10aNatural products10aPictet-Spengler reaction10aWittig reaction1 aPatil, Suhag, S.1 aJachak, Gorakhnath, R.1 aKrishna, Gamidi, Rama1 aArgade, Narshinha, P.1 aReddy, Srinivasa uhttps://library.ncl.res.in/content/total-synthesis-12-13-dibenzyl-banistenoside-b-and-analogs02574nas a2200337 4500008004100000022001400041245017400055210006900229260000800298300001100306490000800317520145400325653002101779653001301800653002701813653001801840653002301858100001801881700001601899700002201915700001901937700001901956700002001975700001901995700002602014700002402040700001602064700001602080700001702096856012302113 2022 eng d a0925-521400aTranscriptional and translational perturbation in abiotic stress induced physiological activities and metabolic pathway networks in spongy tissue disorder of mango fruit0 aTranscriptional and translational perturbation in abiotic stress cJUN a1118800 v1883 a

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

10aOxidative stress10aProteome10aspongy tissue disorder10aTranscriptome10a` Alphonso ` mango1 aOak, Pranjali1 aJha, Vineet1 aDeshpande, Ashish1 aTanpure, Rahul1 aDawkar, Vishal1 aMundhe, Swapnil1 aGhuge, Sandeep1 aPrabhudesai, Shrikant1 aKrishanpal, Anamika1 aJere, Abhay1 aGiri, Ashok1 aGupta, Vidya uhttps://library.ncl.res.in/content/transcriptional-and-translational-perturbation-abiotic-stress-induced-physiological02466nas a2200253 4500008004100000022001400041245011700055210006900172260000800241300001600249490000600265520162400271653001501895653001901910653002401929653001601953653001701969100001501986700002102001700002002022700001702042700002502059856012802084 2022 eng d a2637-610500aViscoelastic liquid from regenerated silk fibroin in the silk i conformation: a writeable and shapeable material0 aViscoelastic liquid from regenerated silk fibroin in the silk i  cJUN a4699–47080 v43 a

Regenerated silk fibroin (RSF) has acquired enormous attention because of its exceptional toughness, strength, and biocompatible nature. These properties make RSF a potential candidate for the fabrication of different types of materials. However, processing even a dilute aqueous solution of RSF leads to a conformational transformation from a random coil/helix-rich (silk I) to a beta-sheetrich (silk II) state. As a consequence, RSF tends to form aggregates and loses its toughness. Working in a direction to address this problem, an aqueous solution of regenerated silk fibroin has been modified with a dual layer of polyethylenimine (PEI) and a PEG-based polymer surfactant (PS). Upon freeze-drying, the RSF-polymer complex forms a solvent-free RSF bioconjugate system and exhibits a soft solid to liquid melting transition at similar to 45 degrees C. The sequential modification with PEI and PS preserves the native-like random coil conformation of RSF up to at least 8 months of storage by not allowing interchain interactions that can lead to aggregation. Rheological and small-angle X-ray scattering measurements show that the solvent-free system is viscoelastic and exhibits a higher order microstructure mediated by the packing of the PS chains, respectively. Temperature-dependent soft solid-liquid-like dual behavior offers applications in injection-based writing, compression molding, and shaping RSF bioconjugates into various types of geometries. Furthermore, the mechanical properties of the RSF bioconjugate system can be modulated by crosslinking with glutaraldehyde vapor at 50 degrees C.

10aRSF liquid10aRSF soft solid10asilk I conformation10asilk liquid10aviscoelastic1 aKumar, Raj1 aJoseph, Emmanuel1 aChaudhari, Atul1 aNisal, Anuya1 aSharma, Kamendra, P. uhttps://library.ncl.res.in/content/viscoelastic-liquid-regenerated-silk-fibroin-silk-i-conformation-writeable-and-shapeable02851nas a2200277 4500008004100000022001400041245009800055210006900153260000800222300001400230490000700244520195500251653002002206653001802226653002502244653002802269653001902297100001902316700001902335700001802354700001902372700002302391700001802414700001802432856012302450 2022 eng d a0363-907X00aWearable fabric supercapacitors based on CNTs and polyhedral ZnO with a wide potential window0 aWearable fabric supercapacitors based on CNTs and polyhedral ZnO cMAY a8186-82000 v463 a

Wearable electronic devices such as health monitors, sensors, and e-skin can be powered by lightweight, high-power supercapacitors. Using a binder-free and low-temperature hydrothermal method, polyhedral ZnO nanoparticles were grown on carbon nanotube (CNT)-decorated cotton fabric, which is friendly to human skin and highly wearable, inexpensive, and thus commercially viable. The concentration of the starting material, zinc acetate, was varied to optimize the electrochemical performance. The evenly spaced polyhedral ZnO facilitated efficient permeation of the electrolyte into the active material. The fabric filaments were decorated with CNTs to enhance electron transfer and the overall electrochemical processes. The symmetric cell comprised of cotton fabric decorated with ZnO polyhedron/CNT showed no discernible change in the cyclic voltammetry curves even after 500 bending cycles, demonstrating the mechanical durability of the electrode. The potential window of 1.6 V using a Na2SO4/K2SO4 aqueous dual-ion electrolyte improved the long-term electrochemical stability and increased the energy storage capacity. The capacitance retention was 94% after 5000 cycles at a current density of 1 A center dot g(-1), indicating long-term electrochemical stability. A specific capacitance of 375 F center dot g(-1) at a current density of 5 A center dot g(-1) and energy density of 33.3 Wh center dot kg(-1) at a power density of 2000 W center dot kg(-1) were recorded for the optimized electrode. Highlights Polyhedral ZnO was grown on cotton fabric using a hydrothermal process. The electrochemical performance was optimized by varying the zinc acetate concentration. The highest specific capacitance was 375 F center dot g(-1) at a current density of 5 A center dot g(-1). Under optimal conditions, the capacitance retention was 94% at N = 5000 cycles. The energy density of the electrode was as high as 33.3 Wh center dot kg(-1).

10acarbon nanotube10aCotton fabric10ahydrothermal process10awearable supercapacitor10aZnO polyhedron1 aSamuel, Edmund1 aJoshi, Bhavana1 aPark, Chanwoo1 aAldalbahi, Ali1 aEl-Newehy, Mohamed1 aLee, Hae-Seok1 aYoon, Sam, S. uhttps://library.ncl.res.in/content/wearable-fabric-supercapacitors-based-cnts-and-polyhedral-zno-wide-potential-window01265nas a2200253 4500008004100000022001400041245010900055210006900164260000900233300001500242490000700257520044600264653001200710653002300722653001800745653002400763100001700787700001900804700001800823700002100841700001700862700001900879856011300898 2022 eng d a1867-388000aWell-defined calcium compound catalyzes trimerization of arylisocyanates into 1,3,5-triarylisocyanurates0 aWelldefined calcium compound catalyzes trimerization of arylisoc cJUN  ae2021017880 v143 a

We report the synthesis of a calcium complex (2) bearing a tetradentate monoanionic ligand with a diaminoethane core and phenolate and pyridine peripheral donors. Single crystal X-ray studies on 2 revealed that LiI was also co-crystallized, leading to a four-membered ring with four different elements. 2 was found to be an efficient catalyst for the cyclotrimerization of a variety of aromatic isocyanates under mild conditions.

10acalcium10aCyclotrimerization10aIsocyanurates10aTetradentate ligand1 aKumar, Rohit1 aSharma, Vishal1 aJain, Shailja1 aSharma, Himanshu1 aVanka, Kumar1 aSen, Sakya, S. uhttps://library.ncl.res.in/content/well-defined-calcium-compound-catalyzes-trimerization-arylisocyanates-13503191nas a2200313 4500008004100000022001400041245011700055210006900172260000800241300001200249490000700261520213700268653002902405653002602434653001202460653002602472653001802498100002302516700002502539700002802564700002402592700002802616700002202644700002402666700001902690700001802709700002202727856012802749 2023 eng d a1230-282100aAntimalarial activity of anacardium occidentale leaf extracts against plasmodium falciparum transketolase (PfTK)0 aAntimalarial activity of anacardium occidentale leaf extracts ag cDEC a832-8410 v683 a

BackgroundAs per estimates by WHO in 2021 almost half of the world's population was at risk of malaria and > 0.6 million deaths were attributed to malaria. Therefore, the present study was aimed to explore the antimalarial activity of extracts derived from the leaves of the plant Anacardium occidentale L., which has been used traditionally for the treatment of malaria. Different extracts of A.occidentale leaves were prepared and tested for their inhibitory activity against recombinant P. falciparum transketolase (rPfTK) enzyme, in vitro. Further, growth inhibitory activity against cultivated blood stage P. falciparum parasites (3D7 strain), was studied using SYBR Green fluorescence-based in vitro assays. Acute toxicity of the hydro alcoholic extracts of leaves of A. occidentale (HELA) at different concentrations was evaluated on mice and Zebra fish embryos. HELA showed 75.45 +/- 0.35% inhibitory activity against the recombinant PfTk and 99.31 +/- 0.08% growth inhibition against intra-erythrocytic stages of P. falciparum at the maximum concentration (50 mu g/ml) with IC50 of 4.17 +/- 0.22 mu g/ml. The toxicity test results showed that the heartbeat, somite formation, tail detachment and hatching of embryos were not affected when Zebra fish embryos were treated with 0.1 to 10 mu g/ml of the extract. However, at higher concentrations of the extract, at 48 h (1000 mu g/ml) and 96 h (100 mu g/ml and 1000 mu g/ml, respectively) there was no heartbeat in the fish embryos. In the acute oral toxicity tests performed on mice, the extract showed no toxicity up to 300 mg/kg body weight in mice.ConclusionThe hydro-alcoholic extract of leaves of A. occidentale L. showed potent antimalarial activity against blood stage P. falciparum. Based on the observed inhibitory activity on the transketolase enzyme of P. falciparum it is likely that this enzyme is the target for the development of bioactive molecules present in the plant extracts. The promising anti-malarial activity of purified compounds from leaves of A. occidentale needs to be further explored for development of new anti-malarial therapy.

10aAnacardium occidentale L10aAntimalarial activity10amalaria10aPlasmodium falciparum10aTransketolase1 aKaushik, Meenakshi1 aHoti, Sugeerappa, L.1 aSaxena, Jitendra, Kumar1 aHingamire, Tejashri1 aShanmugam, Dhanasekaran1 aJoshi, Rajesh, K.1 aMetgud, Sharada, C.1 aUngar, Banappa1 aSingh, Ishwar1 aHegde, Harsha, V. uhttps://library.ncl.res.in/content/antimalarial-activity-anacardium-occidentale-leaf-extracts-against-plasmodium-falciparum02778nas a2200325 4500008004100000245012400041210006900165260000800234300000700242490000700249520169500256653002401951653002001975653002701995653002302022653001702045653001402062653002002076653002802096100002202124700002202146700002202168700002302190700002602213700001902239700002202258700001802280700002202298856013202320 2023 eng d00aAntiviral and ROS scavenging potential of Carica papaya Linn and Psidium guajava leaves extract against HIV-1 infection0 aAntiviral and ROS scavenging potential of Carica papaya Linn and cMAR a820 v233 a

Antiretroviral therapy is the only treatment option for HIV-infected patients; however, it has certain drawbacks in terms of developing multiple toxic side effects. Thus, there is a continuous need to explore safe and efficacious anti-retroviral agents. Carica papaya Linn and Psidium guajava are known for their various biological activities. In this study, we characterized the bioactive fractions of methanolic leaves extract from both plants using the High-resolution electrospray ionization mass spectrometry (HR-ESI-MS) technique, followed by the investigation of their potential as anti-HIV-1 and antioxidant agents through in vitro mechanistic assays. The anti-HIV-1 activity was examined in TZM-bl cells through luciferase gene assay against two different clades of HIV-1 strains, whereas the intracellular ROS generation was analyzed by Fluorescence-Activated Cell Sorting. Additionally, the mechanisms of action of these phyto-extracts were determined through the Time-of-addition assay. The characterization of Carica papaya Linn and Psidium guajava leaves extract through HR-ESI-MS fragmentation showed high enrichment of various alkaloids, glycosides, lipids, phenolic compounds, terpenes, and fatty acids like bioactive constituents. Both the phyto-extracts were found to be less toxic and exhibited potent antiviral activity against HIV-1 strains. Furthermore, the phyto-extracts also showed a decreased intracellular ROS in HIV-1 infected cells due to their high antioxidant potential. Overall, our study suggests the anti-HIV-1 potential of Carica papaya Linn and Psidium guajava leaves extract due to the synergistic action of multiple bioactive constituents.

10aanti-HIV-1 activity10aAnti-retroviral10aBioactive constituents10aCarica papaya Linn10aCytotoxicity10aHR-ESI-MS10aPsidium guajava10areactive oxygen species1 aJadaun, Pratiksha1 aShah, Prachibahen1 aHarshithkumar, R.1 aSaid, Madhukar, S.1 aBhoite, Shubhangi, P.1 aBokuri, Sowmya1 aRavindran, Selvan1 aMishra, Neetu1 aMukherjee, Anupam uhttps://library.ncl.res.in/content/antiviral-and-ros-scavenging-potential-carica-papaya-linn-and-psidium-guajava-leaves-extract02917nas a2200229 4500008004100000022001400041245015400055210006900209260000900278300001600287490000700303520206700310100002702377700002102404700002302425700002102448700002302469700002002492700001802512700003002530856012702560 2023 eng d a2050-748800aBaby step in assembling and integrating the components of an artificial photosynthesis device with forced heterojunctions towards improved efficiency0 aBaby step in assembling and integrating the components of an art cJUL  a15168-151820 v113 a

How to achieve unassisted, economical, scalable, and sustainable artificial photosynthesis for liquid fuels/products with improved solar-to-fuel efficiency (STFE) to address a carbon-neutral economy remains a big question. To a large degree, the extent of charge separation at heterojunction interfaces and charge utilization determine the STFE. Towards this, BiVO3 is assembled from ionic-precursors into TiO2 pores, and integrated structurally and electronically with TiO2 on calcination as BiVO4 quantum dots (BVQDs). BVQDs in TiO2 (BVT) pores lead to an all-inorganic system with a sub-quadrillion number of heterojunctions in a 1 cm(2) device (contains similar to 25 mu g of BiVO4 (similar to 2.5 wt%) in the nanopores of similar to 975 mu g of TiO2 (similar to 97.5 wt%)) and facilitate artificial photosynthesis. We demonstrate 31-38% STFE with a photon to chemical conversion turn over frequency (ToF(P2C)) of 2.73 s(-1) with a 1 cm(2) wireless BiVO4-TiO2 artificial leaf (BVT-AL) device for HCHO and CH3OH. The sequential nature of CO2 reduction to HCHO and then to CH3OH is evident from the reaction results. (CO2)-C-13 isotopic labeling experiments confirm that the input CO2 is the source for product formation. A large increase in the photocurrent density and incident photon-to-current efficiency (IPCE) of BVT, over 100% for the BiVO4 photoanode in visible light, demonstrates and supports efficient visible light absorption, charge separation and migration to the redox sites. A device has been demonstrated to show sustainable activity in direct sunlight, and addresses scalability from 1 to 9 cm(2). Assuming no change (50% decrease) in the STFE, a 6.74 m(2) device is expected to convert 1 (0.5) kg h(-1) CO2 into C1-oxygenates in sunlight. DFT calculations carried out with anatase TiO2 (101) and BiVO4 (121) interfaces support many of the experimental findings, including electron flow from the latter to the former, and interaction of the oxygen of TiO2 with BiVO4 and vice versa at the interface towards forced heterojunctions.

1 aSalgaonkar, Kranti, N.1 aBajpai, Himanshu1 aMhamane, Nitin, B.1 aNalajala, Naresh1 aChauhan, Inderjeet1 aThakkar, Kavita1 aJoshi, Kavita1 aGopinath, Chinnakonda, S. uhttps://library.ncl.res.in/content/baby-step-assembling-and-integrating-components-artificial-photosynthesis-device-forced02358nas a2200253 4500008004100000245011500041210006900156260000800225300000900233490000700242520149500249100002701744700002301771700001801794700002001812700002001832700002601852700001601878700002001894700002401914700002001938700001901958856012701977 2023 eng d00aBAHD-type acyltransferase concludes the biosynthetic pathway of non-bitter glycoalkaloids in ripe tomato fruit0 aBAHDtype acyltransferase concludes the biosynthetic pathway of n cJUL a45400 v143 a

During tomato fruit ripening, bitter and toxic steroidal glycoalkaloids (SGAs) are converted to nonbitter and less toxic forms, but proposed acylating enzyme in pathway remain unknown. Here, authors report BAHD-type acyltransferase that catalyze acylation step in biosynthesis of non-bitter SGAs in tomato. Tomato is the highest value fruit and vegetable crop worldwide, yet produces & alpha;-tomatine, a renowned toxic and bitter-tasting anti-nutritional steroidal glycoalkaloid (SGA) involved in plant defense. A suite of modifications during tomato fruit maturation and ripening converts & alpha;-tomatine to the non-bitter and less toxic Esculeoside A. This important metabolic shift prevents bitterness and toxicity in ripe tomato fruit. While the enzymes catalyzing glycosylation and hydroxylation reactions in the Esculeoside A pathway have been resolved, the proposed acetylating step remains, to date, elusive. Here, we discovered that GAME36 (GLYCOALKALOID METABOLISM36), a BAHD-type acyltransferase catalyzes SGA-acetylation in cultivated and wild tomatoes. This finding completes the elucidation of the core Esculeoside A biosynthetic pathway in ripe tomato, allowing reconstitution of Esculeoside A production in heterologous microbial and plant hosts. The involvement of GAME36 in bitter SGA detoxification pathway points to a key role in the evolution of sweet-tasting tomato as well as in the domestication and breeding of modern cultivated tomato fruit.

1 aSonawane, Prashant, D.1 aGharat, Sachin, A.1 aJozwiak, Adam1 aBarbole, Ranjit1 aHeinicke, Sarah1 aAlmekias-Siegl, Efrat1 aMeir, Sagit1 aRogachev, Ilana1 aO'Connor, Sarah, E.1 aGiri, Ashok, P.1 aAharoni, Asaph uhttps://library.ncl.res.in/content/bahd-type-acyltransferase-concludes-biosynthetic-pathway-non-bitter-glycoalkaloids-ripe02873nas a2200277 4500008004100000022001400041245013300055210006900188260000800257300001200265490000700277520189600284653003802180653002302218653001702241653002302258653002702281100002102308700001902329700001702348700002502365700001802390700002702408700003002435856013002465 2023 eng d a1139-670900aBiosynthesis of gold nanoparticles by Penicillium rubens and catalytic detoxification of ochratoxin A and organic dye pollutants0 aBiosynthesis of gold nanoparticles by Penicillium rubens and cat cNOV a765-7800 v263 a

The environmental pollution caused by chemical dyes is a growing concern nowadays. Limitations of traditional methods opened the route for nanotechnology; owing to the versatile properties of nanomaterials, gold nanoparticles (AuNPs) became a potential strategy for different applications. In the present study, biosynthesis of gold nanoparticles (BioAuNPs) was carried out by reacting chloroauric acid (HAuCl4) with cell-free filtrate of Penicillium rubens sp. nov. NCIM 1937. The AuNPs were then characterized by UV-visible spectroscopy, HR-TEM, FTIR, and DLS analysis to further examine their efficacious biosynthesis and morphological properties including size, shape, and stability. The biogenic AuNPs are polydisperse in nature, with a mean size of 14.92 +/- 5 nm. These AuNPs exhibited promising antimicrobial activity against Escherichia coli NCIM-2065, Bacillus subtilis NCIM-2010, and Penicillium verrucosum MTCC 4935. In vitro quantitative HPLC results revealed that BioAuNPs significantly inhibited the biosynthesis of ochratoxin A (OTA). Microbial fuel cells (MFCs) are intriguing for power generation and wastewater treatment since they can directly transform chemical energy stored in organic matter to electricity by extracellular electron transfer (EET) via membrane proteins. AuNPs also showed excellent potential for dye degradation of organic pollutants, viz., methylene blue (MB), phenol red (PR), bromothymol blue (BTB), Congo red (CR), and 4-nitrophenol (4-NP). All dye removal efficiencies were estimated and fitted to pseudo-first-order processes using kinetic rate constants (Ka).The present study reveals a simple, original, and eco-friendly method for the synthesis of multifunctional biogenic AuNPs that could be effective in OTA detoxification in food products and organic pollutant removal during wastewater treatment for a sustainable environment.

10aCatalytic organic dye degradation10agold nanoparticles10aOchratoxin A10aPenicillium rubens10aPenicillium verrucosum1 aBhandari, Yogesh1 aVarma, Sanjana1 aSawant, Amol1 aBeemagani, Sreelatha1 aJaiswal, Neha1 aChaudhari, Bhushan, P.1 aVamkudoth, Koteswara, Rao uhttps://library.ncl.res.in/content/biosynthesis-gold-nanoparticles-penicillium-rubens-and-catalytic-detoxification-ochratoxin02553nas a2200265 4500008004100000022001400041245009700055210006900152260000800221300001100229490000800240520168600248653002701934653002801961653000901989653000801998653002002006100001702026700002102043700001602064700002302080700002602103700003002129856012802159 2023 eng d a1385-894700aCo3O4 for sustainable CO2 reduction and possible fine-tuning towards selective CO production0 aCo3O4 for sustainable CO2 reduction and possible finetuning towa cSEP a1444590 v4713 a

Two main challenges involved in heterogeneous catalytic CO2 reduction are: (a) decreasing the consumption of H2 to the minimum required level with possibly the maximum CO2 conversion, and (b) concurrently enhancing the selectivity of the desired CO, at the cost of methane. Towards meeting these two challenges, Co3O4 spinel has been identified as a potential catalyst and it exhibits predominant CO selectivity > 673 K at atmospheric pressure. CO2 conversion begins > 523 K, with 100% CO selectivity observed > 673 K with CO2:H2 = 3:2. Current work shows a sustainable catalytic CO2 conversion to 100% CO selectivity with Co3O4-Nanocube (NC). Critically, CO selectivity and yield is observed to increase at the cost of methane with smaller amount of H2. 1:1 and 3:2 CO2:H2 ratio exhibits 88-100% CO selectivity with 24-32.5% CO2 conversion between 623 and 823 K. Irrespective of the input CO2:H2, ratio of CO2:H2 uptake changes from around 1:3 at 523 K to 1:1-1.5 at 823 K with concurrent production of significant methane to predominant CO, respectively. Surface electronic state changes was explored by near ambient pressure photoelectron spectroscopy, and the results suggests that Co3O4 is the active phase that promotes CO2 reduction selectively to CO. Broadening observed with the vibrational feature of the CO2 molecules at high temperature underscores the heterogeneous character of the catalyst surface, under operating conditions, due to changing electron density. By optimizing the gas hourly space velocity (GHSV), H2-lean CO2:H2 ratio, and the reaction temperature/pressure, 100% CO selectivity could be broadened to a range of operating conditions.

10aCarbon neutral economy10aheterogeneous catalysis10aRWGS10aSDG10aSurface Science1 aRanjan, Ravi1 aTekawadia, Jyoti1 aJain, Ruchi1 aMhamane, Nitin, B.1 aRaja, Thirumalaiswamy1 aGopinath, Chinnakonda, S. uhttps://library.ncl.res.in/content/co3o4-sustainable-co2-reduction-and-possible-fine-tuning-towards-selective-co-production02092nas a2200277 4500008004100000245013500041210006900176260000800245300001100253490000700264520112600271100002201397700003701419700001701456700002201473700001701495700001801512700001701530700002701547700002501574700002001599700002601619700001801645700003001663856012101693 2023 eng d00aCOF-supported zirconium oxyhydroxide as a versatile heterogeneous catalyst for Knoevenagel condensation and nerve agent hydrolysis0 aCOFsupported zirconium oxyhydroxide as a versatile heterogeneous cNOV a1080880 v263 a

A composite of catalytic Lewis acidic zirconium oxyhydroxides (8 wt %) and a covalent organic framework (COF) was synthesized. X-ray diffraction and infrared (IR) spectroscopy reveal that COF's structure is pre-served after loading with zirconium oxyhydroxides. Electron microscopy confirms a homogeneous distri-bution of nano-to sub-micron-sized zirconium clusters in the COF. 3D X-ray tomography captures the micron-sized channels connecting the well-dispersed zirconium clusters on the COF. The crystalline ZrOx(OH)(y)@COF's nanostructure was model-optimized via simulated annealing methods. Using 0.8 mol % of the catalyst yielded a turnover number of 100-120 and a turnover frequency of 160-360 h(-1) for Knoevenagel condensation in aqueous medium. Additionally, 2.2 mol % of catalyst catalyzes the hy-drolysis of dimethyl nitrophenyl phosphate, a simulant of nerve agent Soman, with a conversion rate of 37% in 180 min. The hydrolytic detoxification of the live agent Soman is also achieved. Our study unveils COF-stabilized ZrOx(OH)(y) as a new class of zirconium-based Lewis + Bronsted-acid catalysts.

1 aShekhar, Pragalbh1 aDevulapalli, Venkata, Swaroopa D1 aReji, Reshma1 aSingh, Himan, Dev1 aJose, Aleena1 aSingh, Piyush1 aTorris, Arun1 aVinod, Chatakudath, P.1 aIII, John, A. Tokarz1 aMahle, John, J.1 aPeterson, Gregory, W.1 aBorguet, Eric1 aVaidhyanathan, Ramanathan uhttps://library.ncl.res.in/content/cof-supported-zirconium-oxyhydroxide-versatile-heterogeneous-catalyst-knoevenagel02575nas a2200325 4500008004100000245017700041210006900218260000800287300000800295490000700303520150700310653001401817653001301831653001601844653001501860653001501875653001501890100001901905700002401924700002201948700001701970700002301987700001802010700001802028700001602046700002102062700001802083700002202101856012602123 2023 eng d00aComprehensive molecular and clinical investigation of approved Anti-HCV drugs repurposing against SARS-CoV-2 infection: a glaring gap between benchside and bedside medicine0 aComprehensive molecular and clinical investigation of approved A cMAR a5150 v113 a

The limited availability of effective treatment against SARS-CoV-2 infection is a major challenge in managing COVID-19. This scenario has augmented the need for repurposing anti-virals for COVID-19 mitigation. In this report, the anti-SARS-CoV-2 potential of anti-HCV drugs such as daclatasvir (DCV) or ledipasvir (LDP) in combination with sofosbuvir (SOF) was evaluated. The binding mode and higher affinity of these molecules with RNA-dependent-RNA-polymerase of SARS-CoV-2 were apparent by computational analysis. In vitro anti-SARS-CoV-2 activity depicted that SOF/DCV and SOF/LDP combination has IC50 of 1.8 and 2.0 mu M, respectively, comparable to remdesivir, an approved drug for COVID-19. Furthermore, the clinical trial was conducted in 183 mild COVID-19 patients for 14 days to check the efficacy and safety of SOF/DCV and SOF/LDP compared to standard of care (SOC) in a parallel-group, hybrid, individually randomized, controlled clinical study. The primary outcomes of the study suggested no significant difference in negativity after 3, 7 and 14 days in both treatments. None of the patients displayed any worsening in the disease severity, and no mortality was observed in the study. Although, the post hoc exploratory analysis indicated significant normalization of the pulse rate showed in SOF/DCV and SOF/LDP treatment vs. SOC. The current study highlights the limitations of bench side models in predicting the clinical efficacy of drugs that are planned for repurposing.

10aantiviral10aCOVID-1910adaclatasvir10aledipasvir10aSARS-CoV-210asofosbuvir1 aBansode, Sneha1 aSingh, Pawan, Kumar1 aTellis, Meenakshi1 aChugh, Anita1 aDeshmukh, Narendra1 aGupta, Mahesh1 aVerma, Savita1 aGiri, Ashok1 aKulkarni, Mahesh1 aJoshi, Rakesh1 aChaudhary, Dhruva uhttps://library.ncl.res.in/content/comprehensive-molecular-and-clinical-investigation-approved-anti-hcv-drugs-repurposing02458nas a2200229 4500008004100000022001400041245007800055210006900133260000800202300001200210490000700222520175400229653002301983653001702006653001302023653001702036653001102053100002302064700001702087700001702104856010702121 2023 eng d a0161-494000aComprehensive review on catalytic O-alkylation of phenol and hydroquinone0 aComprehensive review on catalytic Oalkylation of phenol and hydr cAPR a455-5000 v653 a

The alkylation process involves two competitive paths of O- and C-alkylation and achieving better selectivity for desired products is a very challenging problem. The development of new process for synthesis of O-methylated products of phenol and dihydric phenols is a subject of high industrial and academic interest. Alkyl phenyl ethers, especially anisole and 4-methoxyphenol, have captivated significant interest due to their increasing applications in pharmaceutical industries. The main emphasis of the present review is to explore the recent development in two catalytic O-alkylation processes. The first process is O-methylation of phenol into anisole and another is selective mono O-methylation of hydroquinone into 4-methoxyphenol. The present article covers O-alkylation methods with methanol and dimethyl carbonate as alkylating agent over various acidic and basic catalytic systems. The catalyst systems analyzed involves Bronsted and Lewis acidic and basic ionic liquids, conventional acids, metal oxides, solid acid and basic catalysts, hydrotalcites, various zeolites and heteropolyacids. The mechanistic behavior of alkylation reactions in presence of different catalytic system is reviewed critically which is important to design new and/or modified catalyst in order to maximize the yield of desired product. Additionally, an influence of reaction parameters, role of catalyst and their active sites on product distribution is described. The review paper gives useful insight for researchers in the field of catalysis and reaction engineering of alkylation reactions. Understandings of the reaction pathways will help in developing reliable kinetic models necessary for process scale-up to industrial scale reactor system.

10aDimethyl carbonate10aHydroquinone10aMethanol10aO-alkylation10aphenol1 aBhongale, Priyanka1 aJoshi, Sunil1 aMali, Nilesh uhttps://library.ncl.res.in/content/comprehensive-review-catalytic-o-alkylation-phenol-and-hydroquinone02381nas a2200241 4500008004100000022001400041245014100055210006900196260000900265300001600274490000700290520150900297100002701806700001801833700001801851700002501869700002101894700002801915700001901943700002701962700002101989856012902010 2023 eng d a0022-326300aComprehensive study on solomonamides: total synthesis, stereochemical revision, and SAR studies toward identification of simplified lead0 aComprehensive study on solomonamides total synthesis stereochemi cDEC  a17088-171330 v883 a

Solomonamides, a pair of macrocyclic peptide natural products originating from marine sources, have garnered significant attention within the synthetic community owing to their marked anti-inflammatory efficacy and intricate molecular architectures. In this paper, we present a very detailed investigation into solomonamides, including the challenges associated with the total synthesis, the evolution of our synthetic strategies, structural reassignment, synthesis of all possible stereoisomeric macrocycles, biological assessment, structure-activity relationship (SAR) studies, etc. Within the ambit of this total synthesis, diverse strategies for macrocyclization were rigorously explored, encompassing the Friedel-Crafts acylation, cyclization involving the aniline NH2 moiety, macrolactamization utilizing Gly-NH2, and Heck macrocyclization methodologies. In addition, an array of intriguing chemical transformations were devised, including but not limited to photo-Fries rearrangement, Wacker oxidation, ligand-free Heck macrocyclization, oxidative cleavage of indole, synthesis of contiguous stereocenters via substrate/reagent-controlled protocols, and simultaneous making and breaking of olefinic moieties. The findings of this investigation revealed a structurally simplified lead compound. Remarkably, the lead compound, while possessing structural simplification in comparison to the intricate solomonamide counterparts, demonstrates equipotent in vivo anti-inflammatory efficacy.

1 aJachak, Gorakhnath, R.1 aKashinath, K.1 aVasudevan, N.1 aAthawale, Paresh, R.1 aChoudhury, Rahul1 aDange, Santoshkumar, S.1 aAgarwal, Heena1 aBarthwal, Manoj, Kumar1 aReddy, Srinivasa uhttps://library.ncl.res.in/content/comprehensive-study-solomonamides-total-synthesis-stereochemical-revision-and-sar-studies02238nas a2200169 4500008004100000022001400041245009300055210006900148260000900217300001600226490000700242520162900249100002301878700002101901700002201922856012401944 2023 eng d a0888-588500aContinuous hydrogenation of cinnamaldehyde: gas-liquid-liquid-solid helical coil reactor0 aContinuous hydrogenation of cinnamaldehyde gasliquidliquidsolid  cAUG  a19250-192610 v623 a

The advantages and challenges of using the gas-liquid-liquid-solid(GLLS) hydrogenation system are discussed in this work using the caseof selective hydrogenation of cinnamaldehyde to cinnamyl alcohol (animportant ingredient in the perfume and flavoring industry). The fourphases in this system include gas (hydrogen)-liquid (organic, reactant+ solvent)-liquid (aqueous KOH)-solid (5% Pt/C catalyst). The additionof second liquid phase, i.e., aqueous KOH significantly increasesselectivity toward cinnamyl alcohol compared to the conventional three-phasehydrogenation. The four-phase GLLS reactions were carried out andoptimized in a continuous helical coil reactor. The role of key aspectssuch as gas solubility, kinetics, flow hydrodynamics, axial dispersion,and mass transfer on the performance of a continuous GLLS reactoris presented and discussed in this work. The presented results anddiscussion will be useful for addressing conflicting demands likelong residence time, low axial dispersion, and high mass transfer.The experimental studies and results of the developed mathematicalmodel indicate that the continuous GLLS helical coil reactor outperformsthe batch operation. The production rates (kg day(-1)) of cinnamyl alcohol achieved in continuous operation were at leastdouble in comparison to batch operation, with 32% less consumptionof precious catalyst (per kg of product). The presented results will open up new opportunities for enhancing selectivity and overall performanceof hydrogenations via introducing a second immiscible liquid phaseand designing continuous tubular reactors for the same.

1 aKhan, Muzammil, Y.1 aJoshi, Sunil, S.1 aRanade, Vivek, V. uhttps://library.ncl.res.in/content/continuous-hydrogenation-cinnamaldehyde-gas-liquid-liquid-solid-helical-coil-reactor02065nas a2200205 4500008004100000022001400041245009100055210006900146260000800215300001200223490000700235520134700242100002401589700002701613700002201640700002601662700003001688700002701718856011401745 2023 eng d a0031-865500aD-A-D-based unsymmetrical thiosquaraine dye for the dye-sensitized solar cells(dagger)0 aDADbased unsymmetrical thiosquaraine dye for the dyesensitized s cMAR a529-5370 v993 a

In dye-sensitized solar cell, modulating the electronic properties of the sensitizer by varying the donor, pi-spacer, acceptor and anchoring groups help optimizing the structure of the dye for better device performance. Here, a donor-acceptor-donor-based unsymmetrical thiosquaraine sensitizer (SQ5S) has been designed and synthesized. Photophysical, electrochemical, theoretical and photovoltaic characterizations of SQ5S dye have been compared with its oxygen analog, SQ5. The incorporation of the sulfur atom in the acceptor unit of SQ5S dye showed an intense peak at 688 nm, which was 38 nm of red-shifted and showed the panchromatic light harvesting response with the onset of 850 nm compared with SQ5 dye. The LUMO and HOMO energy levels are well aligned with the conduction band of TiO2 and the redox potential of electrolyte for the charge injection and the dye-regeneration processes, respectively. Photovoltaic efficiency of 1.51% (V-OC 610 mV, J(SC) 3.07 mA cm(-2), ff 81%) has been achieved for SQ5S dye, whereas SQ5 showed the device performance of 5.43% (V-OC 723 mV, J(SC) 9.3 mA cm(-2), ff 80%). The decreased device performance for the dye SQ5S has been attributed to the favorable intersystem crossing process associated with the photoexcited SQ5S that reduces the driving force for the charge injection process.

1 aJadhav, Avinash, P.1 aSingh, Ambarish, Kumar1 aMaibam, Ashakiran1 aKrishnamurty, Sailaja1 aKrishnamoorthy, Kothandam1 aNithyanandhan, Jayaraj uhttps://library.ncl.res.in/content/d-d-based-unsymmetrical-thiosquaraine-dye-dye-sensitized-solar-cellsdagger02603nas a2200229 4500008004100000022001400041245017500055210006900230260000900299300001100308490000800319520175500327653001602082653001602098653002802114653001802142653001702160100002302177700002802200700001702228856012802245 2023 eng d a0032-386100aDesign and synthesis of photocrosslinker and light blocker based on L-Amino acid polyester and their application in solvent-free resin formulation for DLP/SLA 3D printing0 aDesign and synthesis of photocrosslinker and light blocker based cMAR  a1257810 v2703 a

Customising material design for new technological applications like additive manufacturing (AM) is a challenging yet promising approach to create a palette of materials suitable for developing eco-friendly products. LGlutamic acid and L-aspartic acid based aliphatic, photocurable polyester crosslinkers were designed and developed and incorporated into a solvent-free photocurable resin formulation with hydroxyl (ethyl)methacrylate (HEMA). Proof-of-concept 3D printing of clear and transparent objects was demonstrated using digital light processing (DLP) and Stereolithography (SLA) techniques. Resolution of the 3D printed objects could be improved by incorporating a Dansyl labelled L-glutamic acid polyester, which not only aided in modulating the viscosity of the resin formulation but could also function as a light blocker, thereby avoiding polymerization of unwanted areas while 3D printing. The curing kinetics of the photocurable formulation was analyzed using photo differential Scanning Calorimetry. Enzymatic degradability studies of 3D printed films were undertaken in PBS buffer containing esterase enzyme and compared with 3D printed samples using HEMA and a commercial crosslinker (Trimethylolpropane triacrylate (TMPTA)). Scanning electron microscopy (SEM) was used to evaluate the morphology of the 3D printed films before and after enzymatic degradation in the PBS buffer for 60 days. The 3D printed amino acid crosslinked films of HEMA presented high degree of degradation in contrast to the near total absence of any degradation in the 3D printed film crosslinked using TMPTA. The availability of new photocurable formulations that are enzymatically degradable are highly sought after for 3D printing applications.

10a3D printing10aCrosslinker10aL -Amino acid Polyester10aLight blocker10aPhotocurable1 aKamble, Ganesh, N.1 aJoshi, Dheeraj, Chandra1 aAsha, S., K. uhttps://library.ncl.res.in/content/design-and-synthesis-photocrosslinker-and-light-blocker-based-l-amino-acid-polyester-and02220nas a2200181 4500008004100000022001400041245011900055210006900174260000800243300001100251490000800262520154800270100002401818700002201842700002301864700002201887856012901909 2023 eng d a1940-087X00aDeveloping a feeding assay system for evaluating the insecticidal effect of phytochemicals on Helicoverpa armigera0 aDeveloping a feeding assay system for evaluating the insecticida cMAY ae652780 v1953 a

Helicoverpa armigera, a lepidopteran insect, is a polyphagous pest with a worldwide distribution. This herbivorous insect is a threat to plants and agricultural productivity. In response, plants produce several phytochemicals that negatively impact the insect's growth and survival. This protocol demonstrates an obligate feeding assay method to evaluate the effect of a phytochemical (quercetin) on insect growth, development, and survival. Under controlled conditions, the neonates were maintained until the second instar on a pre-defined artificial diet. These second-instar larvae were allowed to feed on a control and quercetin-containing artificial diet for 10 days. The insects' body weight, developmental stage, frass weight, and mortality were recorded on alternate days. The change in body weight, the difference in feeding pattern, and developmental phenotypes were evaluated throughout the assay time. The described obligatory feeding assay simulates a natural mode of ingestion and can be scaled up to a large number of insects. It permits one to analyze phytochemicals' effect on the growth dynamics, developmental transition, and overall fitness of H. armigera. Furthermore, this setup can also be utilized to evaluate alterations in nutritional parameters and digestive physiology processes. This article provides a detailed methodology for feeding assay systems, which may have applications in toxicological studies, insecticidal molecule screening, and understanding chemical effects in plant-insect interactions.

1 aMohite, Sharada, D.1 aPatil, Yogita, P.1 aNichit, Vikram, J.1 aJoshi, Rakesh, S. uhttps://library.ncl.res.in/content/developing-feeding-assay-system-evaluating-insecticidal-effect-phytochemicals-helicoverpa02323nas a2200265 4500008004100000022001400041245013000055210006900185260000800254300001200262490000700274520144300281653001201724653001301736653002401749653001801773653001501791653001201806653001701818100002201835700002601857700002201883700002001905856013201925 2023 eng d a1572-388700aDomain shuffling and site-saturation mutagenesis for the enhanced inhibitory potential of amaranthaceae α-amylase inhibitors0 aDomain shuffling and sitesaturation mutagenesis for the enhanced cOCT a519-5320 v423 a

Amaranthaceae a-amylase inhibitors (AAIs) are knottin-type proteins with selective inhibitory potential against coleopteran a-amylases. Their small size and remarkable stability make them exciting molecules for protein engineering to achieve superior selectivity and efficacy. In this report, we have designed a set of AAI pro- and mature peptides chimeras. Based on in silico analysis, stable AAI chimeras having a stronger affinity with target amylases were selected for characterization. In vitro studies validated that chimera of the propeptide from Chenopodium quinoa a-AI and mature peptide from Beta vulgaris a-AI possess 3, 7.6, and 4.26 fold higher inhibition potential than parental counterparts. Importantly, recombinant AAI chimera retained specificity towards target coleopteran a-amylases. In addition, to improve the inhibitory potential of AAI, we performed in silico site-saturation mutagenesis. Computational analysis followed by experimental data showed that substituting Asparagine at the 6th position with Methionine had a remarkable increase in the specific inhibition potential of Amaranthus hypochondriacus a-AI. These results provide structural-functional insights into the vitality of AAI propeptide and a potential hotspot for mutagenesis to enhance the AAI activity. Our investigation will be a toolkit for AAI's optimization and functional differentiation for future biotechnological applications.

10a& alpha10a-Amylase10a-Amylase inhibitors10aAmaranthaceae10aColeoptera10aPeptide10aPest control1 aRane, Ashwini, S.1 aNair, Vineetkumar, S.1 aJoshi, Rakesh, S.1 aGiri, Ashok, P. uhttps://library.ncl.res.in/content/domain-shuffling-and-site-saturation-mutagenesis-enhanced-inhibitory-potential-amaranthaceae02397nas a2200181 4500008004100000022001400041245013000055210006900185260000800254300001200262490000700274520172800281100002302009700002102032700001702053700002502070856012002095 2023 eng d a0276-733300aDual routes toward observation of a trans-H2/hydride complex in an iridium pincer system and hydrogenation catalytic activity0 aDual routes toward observation of a transH2hydride complex in an cMAR a441-4560 v423 a

The Abstraction of chloride from a six- coordinate complex, trans-[ Ir(H)(Cl)((iPr)4)(POCOP)(PPh3)] (1) [((iPr)4)(POCOP) = 2,6-bis(di-iso-propylphosphinito)benzene,kappa(3)-C6H3-1,3-[OP(Pr-i)(2 )](2)], using NaBAr4f leads to the generation of a dinitrogen complex, trans-[Ir(H)(N-2)((iPr)4)(POCOP)(PPh3)][BAr4f] (6). Addition of H-2 to [Ir(H)(N-2)((iPr)4)(POCOP)(PPh3)](+) (6) under extremely mild conditions (1 bar, 298 K) resulted in the reversible coordination of H-2 to generate the cis-[Ir(H)(eta H-2-(2))((iPr)4)(POCOP)(PPh3)](+) (cis-11) complex. The cis-[Ir(H)(eta(2)-H-2)((iPr)4)(POCOP)(PPh3)](+) complex (cis-11) isomerized to a trans isomer, trans-[Ir(H)(eta(2)-H-2)((iPr)4)(POCOP)(PPh3)](+) (trans-11), at 253 K. The isomerization process has been studied and supported by computations. Employing an alternative route, protonation of the trans-[Ir(H)(2)((iPr)4)(POCOP)(PPh3)] complex (2) at 183 K resulted in the formation of an identical, trans-[Ir(H)(eta(2)-H-2)((iPr)4)(POCOP)(PPh3)](+) complex (trans-11); upon warming the sample, the trans-H-2/hydride complex isomerized to the cis isomer above 253 K. Two independent routes to obtain trans-[Ir(H)(eta(2)-H-2)((iPr)4)(POCOP)(PPh3)](+) (trans-11) species have been established. Reaction of trans-[Ir(H)(N-2)((iPr)4)(POCOP)(PPh3)][BAr4f] (6) with C2H4 gave the cis-[Ir(H)(eta(2)-C2H4)((iPr)4)(POCOP)(PPh3)](+) complex (cis-15), which also undergoes isomerization to yield an equilibrium mixture of cis/trans-[Ir(H)(eta(2)-C2H4)((iPr)4)(POCOP)(PPh3)](+) complexes (cis-15 and trans-15) at 253 K. The trans-[Ir(H)(N-2)((iPr)4)(POCOP)(PPh3)](+) complex (6) is an excellent catalyst for hydrogenation of ethylene to ethane under very mild conditions.

1 aAgrawal, Nisha, K.1 aDash, Soumya, R.1 aVanka, Kumar1 aJagirdar, Balaji, R. uhttps://library.ncl.res.in/content/dual-routes-toward-observation-trans-h2hydride-complex-iridium-pincer-system-and01605nas a2200217 4500008004100000022001400041245009500055210006900150260000800219300001100227490000800238520091100246653000801157653002601165653001301191653002101204653000801225100001801233700001801251856011801269 2023 eng d a0039-602800aElectronic fingerprints for diverse interactions of methanol with various Zn-based systems0 aElectronic fingerprints for diverse interactions of methanol wit cOCT a1223500 v7363 a

We have investigated various Zn-based catalysts for their interaction with methanol (MeOH). MeOH is one of the most critical molecules being studied extensively, and Zn-based catalysts are widely used in many industrially relevant reactions involving MeOH. We note that the same element (Zn and O, in the present study) exhibits different catalytic activity in different environments. The changing environment is captured in the underlying electronic structure of the catalysts. In the present work, we compared the electronic structure of Zn-based systems, i.e., ZnAl2O4 and ZnO along with oxygen preadsorbed Zn (O-Zn) and metallic Zn. We demonstrate the one-to-one correlation between the pDOS of the bare facet and the outcome of that facet's interaction (i.e. either adsorption or dissociation of MeOH) with MeOH. These findings would pave the way towards the in-silico design of catalysts.

10aDFT10aElectronic properties10aMethanol10aZn-based systems10aZnO1 aMehta, Shweta1 aJoshi, Kavita uhttps://library.ncl.res.in/content/electronic-fingerprints-diverse-interactions-methanol-various-zn-based-systems02523nas a2200169 4500008004100000022001400041245012800055210006900183260000800252300001400260490000700274520188300281100002202164700001502186700002402201856012802225 2023 eng d a0006-296000aElectrostatic modulation of intramolecular and intermolecular interactions during the formation of an amyloid-like assembly0 aElectrostatic modulation of intramolecular and intermolecular in cMAY a1890-19050 v623 a

The mechanism of protein aggregation can be broadly viewedas ashift from the native-state stabilizing intramolecular to the aggregated-phasesustaining intermolecular interactions. Understanding the role ofelectrostatic forces on the extent of modulation of this switch hasrecently evolved as a topic of monumental significance as proteinaggregation has lately been connected to charge modifications of anaging proteome. To decipher the distinctive role of electrostaticforces on the extremely complicated phase separation landscape, weopted for a combined in vitro-in silico approach to ascertainthe structure-dynamics-stability-aggregabilityrelationship of the functional tandem RRM domains of the ALS-relatedprotein TDP-43 (TDP-43(tRRM)), under a bivariate solutioncondition in terms of pH and salt concentration. Under acidic pH conditions,the native TDP-43(tRRM) protein creates an aggregation-proneentropically favorable partially unfolded conformational landscapedue to enthalpic destabilization caused by the protonation of theburied ionizable residues and consequent overwhelming fluctuationsof selective segments of the sequence leading to anti-correlated movementsof the two domains of the protein. The evolved fluffy ensemble witha comparatively exposed backbone then easily interacts with incomingprotein molecules in the presence of salt via typical amyloid-aggregate-likeintermolecular backbone hydrogen bonds with a considerable contributionoriginating from the dispersion forces. Subsequent exposure to excesssalt at low pH conditions expedites the aggregation process via anelectrostatic screening mechanism where salt shows preferential bindingto the positively charged side chain. The applied target observable-specificapproach complementarity unveils the hidden information landscapeof an otherwise complex process with unquestionable conviction.

1 aPillai, Meenakshi1 aDas, Atanu1 aJha, Santosh, Kumar uhttps://library.ncl.res.in/content/electrostatic-modulation-intramolecular-and-intermolecular-interactions-during-formation01832nas a2200217 4500008004100000022001400041245011300055210006900168260000900237300001600246490000600262520104300268100003201311700002301343700002901366700001801395700002001413700002901433700002501462856012701487 2023 eng d a2470-134300aElevated level of glycated KQTALVELVK peptide of albumin is associated with the risk of diabetic nephropathy0 aElevated level of glycated KQTALVELVK peptide of albumin is asso cJUN  a20654-206600 v83 a

Diabetic nephropathyis a leading cause of end-stagerenal disease.Hence, early detection of diabetic nephropathy is essential to mitigatethe disease burden. Microalbuminuria, the currently used diagnosticmarker of diabetic nephropathy, is not efficient in detecting it atan early stage. Therefore, we explored the utility of glycated humanserum albumin (HSA) peptides for risk prediction of diabetic nephropathy.Three glycation-sensitive HSA peptides, namely, FKDLG-EENFK,KQTAL-VELVK, and KVPQVST-PTLVEVSR, with deoxyfructosyllysine(DFL) modification were quantified by targeted mass spectrometry (MS)in a study population comprising healthy and type II diabetes subjectswith and without nephropathy. Mass spectrometry, receiver operatingcharacteristic (ROC) curve, and correlation analysis revealed thatthe DFL-modified KQTALVELVK peptide was better than other glycatedHSA peptides and HbA(1c) for identifying diabetic nephropathy.DFL-modified KQTALVELVK could be a potential marker for risk predictionof diabetic nephropathy.

1 aChaurasiya, Arvindkumar, H.1 aJaiswal, Meera, R.1 aBayatigeri, Santhakumari1 aKahar, Shweta1 aTiwari, Shalbha1 aUnnikrishnan, Ambika, G.1 aKulkarni, Mahesh, J. uhttps://library.ncl.res.in/content/elevated-level-glycated-kqtalvelvk-peptide-albumin-associated-risk-diabetic-nephropathy02339nas a2200277 4500008004100000022001400041245017000055210006900225260000800294300001600302490000700318520139900325653001401724653001901738653001901757653001501776653001701791653001301808653001301821100002301834700001901857700002301876700002201899700002901921856011101950 2023 eng d a2190-681500aEtherification of biomass-derived glycerol to oxygenated fuel additives using dodecatungstophosphoric-silica-supported catalyst: characterization and kinetic studies0 aEtherification of biomassderived glycerol to oxygenated fuel add cNOV a16285-162950 v133 a

Commercial biodiesel production is becoming popular due to its sustainability and reduced greenhouse gas emissions in comparison to fossil fuels. Biodiesel production involves the co-generation of crude glycerol that is not directly viable. Valorization of glycerol is essential from techno-economic perspective to achieve goals of circular economy. In this study, the glycerol etherification was carried out using tert-butyl alcohol in presence of dodecatungstophosphoric/silica (DTP/SiO2) catalyst for production of tert-butyl glycerol ethers that can be used as fuel additives. A series of DTP/SiO2 catalysts were prepared with various compositions by impregnating heteropoly acids (HPA, H3PW12O40). The product analysis was performed to monitor mono-, di-, and tri-tert-butyl glycerol ethers. The kinetic studies were conducted based on Langmuir-Hinshelwood model. The rate constants were determined from experimental data by regression analysis. The catalysts were characterized by X-ray diffraction, SEM/EDX, and thermogravimetric analysis. Varying DTP loadings resulted in different catalytic activities. Activation energy (38.23 kJ/mol), activation enthalpy (25.94 kJ/mol), activation entropy (-163.8 J/mol/K), and Gibbs free energy of activation (88.67 kJ/mol) were attained for DTP/SiO2 (20%) catalyst that exhibited the best selectivity for di-tert-butyl glycerol ethers.

10aCatalytic10aetherification10afuel additives10aHinselwood10aImpregnation10akinetics10aLangmuir1 aMagar, Subhash, B.1 aKapoor, Ashish1 aJana, Sumit, Kumar1 aPal, Dan, Bahadur1 aRode, Chandrashekhar, V. uhttps://library.ncl.res.in/content/etherification-biomass-derived-glycerol-oxygenated-fuel-additives-using02127nas a2200169 4500008004100000022001400041245015200055210006900207260000900276300001600285490000700301520146600308100001801774700001901792700001901811856012701830 2023 eng d a0743-746300aFerroelectric polarization and iron substitution synergistically boost electrocatalytic oxygen evolution reaction in bismuth oxychloride nanosheets0 aFerroelectric polarization and iron substitution synergistically cAUG  a11414-114250 v393 a

Ferroelectric materials have gained significant interestin variouskinds of water splitting, but the study of ferroelectric materialsfor electrocatalytic water splitting is in its infancy. Ferroelectricmaterials have spontaneous polarization below their Curie temperaturedue to dipolar alignment, which results in surface charges. In 2Dferroelectric materials, spontaneous polarization depends on thickness.Herein, we report that thickness-dependent ferroelectric polarizationin 2D nanosheets can also accelerate the oxygen evolution reaction(OER) along with the tailored active surface area of exposed crystallinefacets, which improves the electrocatalytic activity relatively. Iron-substitutedBiOCl nanosheets of varying thickness are fabricated by varying thepH using a facile coprecipitation method. The substituted iron enhancespolarization and electrochemical active sites on the surface. Thefindings in this study show that the exposed (001) facet and higherthickness of the nanosheets have high ferroelectric polarization and,in turn, superior electrocatalytic activity and remarkable stability,requiring low overpotentials (348 mV and 270 mV at 100 mA/cm(2) and 10 mA/cm(2)) in alkaline (1.0 M KOH) electrolyte. Asthe thickness of the nanosheets is decreased from 140 to 34 nm, theelectrocatalytic performance of iron-substituted BiOCl nanosheetsstarts to reduce due to the lower Coulomb-Coulomb interactionand the increasing depolarization.

1 aSingh, Dinesh1 aJoshi, Bhavana1 aPoddar, Pankaj uhttps://library.ncl.res.in/content/ferroelectric-polarization-and-iron-substitution-synergistically-boost-electrocatalytic02519nas a2200385 4500008004100000245010900041210006900150260000900219300001200228490000700240520127600247653002001523653002301543653003101566653003001597653002101627100002501648700001801673700002601691700002101717700001701738700001901755700001801774700002001792700002801812700001801840700001801858700001801876700002301894700001801917700002601935700001801961700002401979856013002003 2023 eng d00aG4-binding drugs, chlorpromazine and prochlorperazine, repurposed against COVID-19 infection in hamsters0 aG4binding drugs chlorpromazine and prochlorperazine repurposed a cMAR  a11331230 v103 a

The COVID-19 pandemic caused by SARS-CoV-2 has caused millions of infections and deaths worldwide. Limited treatment options and the threat from emerging variants underline the need for novel and widely accessible therapeutics. G-quadruplexes (G4s) are nucleic acid secondary structures known to affect many cellular processes including viral replication and transcription. We identified heretofore not reported G4s with remarkably low mutation frequency across >5 million SARS-CoV-2 genomes. The G4 structure was targeted using FDA-approved drugs that can bind G4s - Chlorpromazine (CPZ) and Prochlorperazine (PCZ). We found significant inhibition in lung pathology and lung viral load of SARS-CoV-2 challenged hamsters when treated with CPZ or PCZ that was comparable to the widely used antiviral drug Remdesivir. In support, in vitro G4 binding, inhibition of reverse transcription from RNA isolated from COVID-infected humans, and attenuated viral replication and infectivity in Vero cell cultures were clear in case of both CPZ and PCZ. Apart from the wide accessibility of CPZ/PCZ, targeting relatively invariant nucleic acid structures poses an attractive strategy against viruses like SARS-CoV-2, which spread fast and accumulate mutations quickly.

10aConserved motif10aFDA-approved drugs10aG-quadruplex binding drugs10ahamster model of COVID-1910aRNA G-quadruplex1 aRoy, Shuvra, Shekhar1 aSharma, Shalu1 aRizvi, Zaigham, Abbas1 aSinha, Dipanjali1 aGupta, Divya1 aRophina, Mercy1 aSehgal, Paras1 aSadhu, Srikanth1 aTripathy, Manas, Ranjan1 aSamal, Sweety1 aMaiti, Souvik1 aScaria, Vinod1 aSivasubbu, Sridhar1 aAwasthi, Amit1 aHarshan, Krishnan, H.1 aJain, Sanjeev1 aChowdhury, Shantanu uhttps://library.ncl.res.in/content/g4-binding-drugs-chlorpromazine-and-prochlorperazine-repurposed-against-covid-19-infection03254nas a2200493 4500008004100000022001400041245016200055210006900217260000800286300001800294490000700312520171400319653002802033653001302061653001802074653001002092653003102102653001202133653001802145653001502163653001502178653003402193100001802227700002002245700001802265700002302283700001902306700001902325700002102344700002102365700002102386700001902407700002402426700002502450700001802475700001802493700001902511700001602530700001902546700001902565700002602584700001902610856013102629 2023 eng d a0944-134400aGenomic surveillance reveals early detection and transition of delta to omicron lineages of SARS-CoV-2 variants in wastewater treatment plants of Pune, India0 aGenomic surveillance reveals early detection and transition of d cDEC a118976-1189880 v303 a

The COVID-19 pandemic has emphasized the urgency for rapid public health surveillance methods to detect and monitor the transmission of infectious diseases. The wastewater-based epidemiology (WBE) has emerged as a promising tool for proactive analysis and quantification of infectious pathogens within a population before clinical cases emerge. In the present study, we aimed to assess the trend and dynamics of SARS-CoV-2 variants using a longitudinal approach. Our objective included early detection and monitoring of these variants to enhance our understanding of their prevalence and potential impact. To achieve our goals, we conducted real-time quantitative polymerase chain reaction (RT-qPCR) and Illumina sequencing on 442 wastewater (WW) samples collected from 10 sewage treatment plants (STPs) in Pune city, India, spanning from November 2021 to April 2022. Our comprehensive analysis identified 426 distinct lineages representing 17 highly transmissible variants of SARS-CoV-2. Notably, fragments of Omicron variant were detected in WW samples prior to its first clinical detection in Botswana. Furthermore, we observed highly contagious sub-lineages of the Omicron variant, including BA.1 (similar to 28%), BA.1.X (1.0-72%), BA.2 (1.0-18%), BA.2.X (1.0-97.4%) BA.2.12 (0.8-0.25%), BA.2.38 (0.8-1.0%), BA.2.75 (0.01-0.02%), BA.3 (0.09-6.3%), BA.4 (0.24-0.29%), and XBB (0.01-21.83%), with varying prevalence rates. Overall, the present study demonstrated the practicality of WBE in the early detection of SARS-CoV-2 variants, which could help track future outbreaks of SARS-CoV-2. Such approaches could be implicated in monitoring infectious agents before they appear in clinical cases.

10aBioinformatics pipeline10aCOVID-1910aEarly warning10aIndia10aNext-generation sequencing10aOmicron10aPublic health10aSARS-CoV-210awastewater10aWastewater-based epidemiology1 aRajput, Vinay1 aPramanik, Rinka1 aMalik, Vinita1 aYadav, Rakeshkumar1 aSamson, Rachel1 aKadam, Pradnya1 aBhalerao, Unnati1 aTupekar, Manisha1 aDeshpande, Dipti1 aShah, Priyanki1 aShashidhara, L., S.1 aBoargaonkar, Radhika1 aPatil, Dhawal1 aKale, Saurabh1 aBhalerao, Asim1 aJain, Nidhi1 aKamble, Sanjay1 aDastager, Syed1 aKarmodiya, Krishanpal1 aDharne, Mahesh uhttps://library.ncl.res.in/content/genomic-surveillance-reveals-early-detection-and-transition-delta-omicron-lineages-sars-cov02160nas a2200169 4500008004100000022001400041245014800055210006900203260000800272300001600280490000700296520147700303100002401780700002501804700002501829856013601854 2023 eng d a1144-054600aGreen, practical & scalable approach towards the synthesis of valuable α-keto amides using a metal-free catalyst under solvent-free conditions0 aGreen practical scalable approach towards the synthesis of valua cOCT a19679-196870 v473 a

alpha-Ketoamides are very important motifs as they are present in many natural products, drugs & biologically important molecules. We synthesized a very simple, cheap, eco-friendly & reusable glucose-based carbonaceous material (GCM), which showed high performance as a catalyst in the oxidative cross-dehydrogenative coupling (CDC) reaction of alpha-ketoaldehydes with amines for the synthesis of alpha-ketoamides. The GCM catalyst was also very efficient for one-pot two-step synthesis of alpha-ketoamides from alpha-ketoalcohols as well. The GCM catalyst was able to catalyze alcohol oxidation in alpha-ketoalcohols followed by CDC reaction with amines to form alpha-ketoalcohols. The reactions were found to proceed smoothly at a low temperature of 50 degrees C using a green & economical metal-free catalyst under base-free, ligand-free & solvent-free reaction conditions to get the corresponding alpha-ketoamides in good to excellent yields. The results demonstrated that the GCM catalyst showed acidic as well as superior oxidising catalytic activity due to the presence of a carboxylic acid (-COOH) and hydroxyl (-OH)-enriched carbonaceous framework, which enabled the synthesis of important alpha-ketoamide motifs. The applicability of the catalyst was also evaluated for the synthesis of an anti-HIV agent drug molecule. Greener, cheaper & eco-friendly GCM catalyst as well as catalytic process for synthesis of alpha-Keto Amides.

1 aBankar, Shubham, R.1 aGhadge, Sambhaji, S.1 aJadhav, Vrushali, H. uhttps://library.ncl.res.in/content/green-practical-scalable-approach-towards-synthesis-valuable-%CE%B1-keto-amides-using-metal-free01154nas 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-h2ipr4pocopdmap01960nas 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-agents02813nas 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-reaction02096nas a2200265 4500008004100000022001400041245011000055210006900165260000800234300001400242490000700256520118500263100001801448700002701466700002801493700001601521700002701537700003101564700001901595700001801614700002401632700002701656700001801683856012901701 2023 eng d a0305-104800aIdentification of G-quadruplex structures in MALAT1 lncRNA that interact with nucleolin and nucleophosmin0 aIdentification of Gquadruplex structures in MALAT1 lncRNA that i cSEP a9415-94310 v513 a

Nuclear-retained long non-coding RNAs (lncRNAs) including MALAT1 have emerged as critical regulators of many molecular processes including transcription, alternative splicing and chromatin organization. Here, we report the presence of three conserved and thermodynamically stable RNA G-quadruplexes (rG4s) located in the 3 & PRIME; region of MALAT1. Using rG4 domain-specific RNA pull-down followed by mass spectrometry and RNA immunoprecipitation, we demonstrated that the MALAT1 rG4 structures are specifically bound by two nucleolar proteins, Nucleolin (NCL) and Nucleophosmin (NPM). Using imaging, we found that the MALAT1 rG4s facilitate the localization of both NCL and NPM to nuclear speckles, and specific G-to-A mutations that disrupt the rG4 structures compromised the localization of both NCL and NPM in speckles. In vitro biophysical studies established that a truncated version of NCL (& UDelta;NCL) binds tightly to all three rG4s. Overall, our study revealed new rG4s within MALAT1, established that they are specifically recognized by NCL and NPM, and showed that disrupting the rG4s abolished localization of these proteins to nuclear speckles

1 aGhosh, Arpita1 aPandey, Satya, Prakash1 aJoshi, Dheeraj, Chandra1 aRana, Priya1 aAnsari, Asgar, Hussain1 aSundar, Jennifer, Seematti1 aSingh, Praveen1 aKhan, Yasmeen1 aEkka, Mary, Krishna1 aChakraborty, Debojyoti1 aMaiti, Souvik uhttps://library.ncl.res.in/content/identification-g-quadruplex-structures-malat1-lncrna-interact-nucleolin-and-nucleophosmin02035nas a2200169 4500008004100000022001400041245008600055210006900141260000800210300001400218490000700232520145200239100002601691700001901717700002301736856010601759 2023 eng d a0743-746300aInsights into the synthesis and kinetics of silver-on-silica core-shell particles0 aInsights into the synthesis and kinetics of silveronsilica cores cJUL a9681-96920 v393 a

In this study, a heterogeneous nucleation and growthmodel hasbeen developed to explore the formation mechanism of silver-depositedsilica core-shell particles based on the reaction kinetics.To validate the core-shell model, the time-dependent experimentaldata were quantitatively examined and in situ reduction,nucleation, and growth rates were estimated by optimizing the concentrationprofiles of reactants and deposited silver particles. Using this model,we also attempted to predict the change in the surface area and diameterof core-shell particles. The concentration of the reducingagent, metal precursor, and reaction temperature were found to havea strong influence on the rate constants and morphology of core-shellparticles. Higher rates of nucleation and growth often produced thick,asymmetric patches that covered the entire surface, whereas lowerrates produced sparsely deposited silver particles with a sphericalshape. The result revealed that by simply tuning the process parametersand controlling the relative rates, the morphology of deposited silverparticles and the surface coverage can be controlled while retainingthe spherical shape of the core. The present study aims to offer comprehensivedata pertaining to the nucleation, growth, and coalescence processesof core-shell nanostructures which will aid in the developmentand understanding of the principles that govern the formation of nanoparticle-coatedmaterials.

1 aJundale, Rajashri, B.1 aBari, Atul, H.1 aKulkarni, Amol, A. uhttps://library.ncl.res.in/content/insights-synthesis-and-kinetics-silver-silica-core-shell-particles01598nas a2200229 4500008004100000022001400041245008100055210006900136260000800205300000800213490000700221520089300228653001501121653001901136653001001155653001901165653001601184653001901200100002101219700001901240856010901259 2023 eng d a0250-470700aInvestigating the ferrimagnetic behaviour of trigonal 3C Fe7S8 nanoparticles0 aInvestigating the ferrimagnetic behaviour of trigonal 3C Fe7S8 n cMAY a1080 v463 a

The magnetic properties of trigonal 3C Fe7S8 nanoparticles, synthesized via the thermal decomposition method, are investigated using temperature-dependent zero-field cooled (ZFC) and field-cooled (FC) magnetization (M-T) curves. The M-T data, recorded at 100 and 1000 Oe, reveal magnetic ordering with high Curie transition temperature (T-C > 300 K) in the specimen. The magnetization vs. applied magnetic field (M-H) data measured in the temperature range from 7 to 300 K show that the compound exhibits ferrimagnetic ordering. The values of coercivity (H-C), saturation magnetization (M-60 kOe) and remanent magnetization (M-R) appear to increase at lower measuring temperatures. As the result of increasing M-60 kOe at lower measuring temperatures, within the temperature range of 7 to 300 K, the maximum energy product (BHmax) has the highest value of 128 kG Oe at 7 K.

10aanisotropy10aenergy product10aFe7S810aferrimagnetism10aPyrrhotites10atrigonal phase1 aJyotsna, Shubhra1 aPoddar, Pankaj uhttps://library.ncl.res.in/content/investigating-ferrimagnetic-behaviour-trigonal-3c-fe7s8-nanoparticles02048nas a2200229 4500008004100000022001400041245010800055210006900163260000900232300001400241490000700255520125900262653002101521653001001542653002201552100002201574700002201596700002901618700002601647700002001673856012501693 2023 eng d a1463-926200aIron-catalyzed regioselective C-H alkylation of indoles: an additive-free approach in renewable solvent0 aIroncatalyzed regioselective CH alkylation of indoles an additiv cNOV  a9733-97430 v253 a

Alkylated indoles are important motifs in various biologically active molecules and drug candidates. Herein, we report a mild and efficient iron-catalyzed protocol for synthesizing alkylated indoles via C-H bond alkylation of indoles with unactivated alkenes, demonstrating a high level of regioselectivity. The reaction occurs under additive-free, solvent-free (or trace green solvent, 2-MeTHF) and less energy-intensive conditions using a sustainable metal catalyst and provides easy access to privileged alkylated indoles with anti-Markovnikov selectivity. Alkylation is compatible with important functionalities, such as fluoro, chloro, trifluoromethyl, alkenyl, ether, thioether, silyl, and siloxane, including heteroaryl, pyridinyl, carbazolyl, and indolyl moieties (45 examples, up to 96% yield). The developed protocol is very simple, straightforward, and fully accords with the principles of green chemistry. A detailed mechanistic investigation manifests the facile indole's C-H activation at the Fe(0) center, reversible 1,2-insertion of the alkene into the Fe-H bond of a metallacycle, and a turnover-limiting reductive elimination. Alkylated indoles are important motifs in various biologically active molecules and drug candidates.

10aAromatic Ketones10aGreen10aorganic synthesis1 aPradhan, Chandini1 aJagtap, Rahul, A.1 aSamal, Pragnya, Paramita1 aKrishnamurty, Sailaja1 aPunji, Benudhar uhttps://library.ncl.res.in/content/iron-catalyzed-regioselective-c-h-alkylation-indoles-additive-free-approach-renewable02758nas a2200241 4500008004100000022001400041245014000055210006900195260000800264300001400272490000700286520189900293100002002192700002202212700002002234700001902254700001602273700003202289700002302321700002202344700002002366856013002386 2023 eng d a0020-166900aLead-free solid state mechanochemical synthesis of Cs2NaBi1-XFeXCl6 double perovskite: reduces band gap and enhances optical properties0 aLeadfree solid state mechanochemical synthesis of Cs2NaBi1XFeXCl cMAR a4861-48710 v623 a

Efficient and stable lead-free halide double perovskites (DPs) have attracted great attention for the future generation of electronic devices. Herein, we have developed a doping approach to incorporate Fe3+ ions into the Cs2NaBiCl6 crystal unit and reveal a crystallographic and optoelectronic study of the Cs2NaBi1-xFexCl6 double perovskite. We report a simple solid-state mechanochemical method that has a solvent-free, one-step, green chemistry approach for the synthesis of Cs2NaBi1-xFexCl6 phosphor. The analysis of powder X-ray diffraction (XRD) data determines the contraction of the lattice due to the incorporation of Fe3+ cations, and this effect is well supported by X-ray photoelectron spectroscopy (XPS), field emission scanning electron microscopy (FE-SEM), Raman spectroscopy, and solid-state nuclear magnetic resonance spectroscopy (ss-NMR). The band gap is reduced with increasing Fe content owing to the strong overlap of the Fe-3d orbitals with Cl-3p orbitals and shift of the valence band maxima (VBM) toward higher energies, as confirmed by ultraviolet photoelectron spectroscopy (UPS) and density functional theory (DFT) analyses. Photoluminescence (PL) studies of Cs2NaBi1-xFexCl6 phosphors exhibit a large Stokes shift, broadband emission, and increased PL intensity more than ten times for 15% of Fe content phosphor with enhancement in the average decay lifetimes (up to 38 ns) compared to pristine Cs2NaBiCl6 DP. These results indicate that the transition of dark self-trapping of excitons (STEs) into bright STEs enhances yellow emission. XRD, UV, and thermo-gravimetric analysis (TGA) confirmed that the Cs2NaB1-xFexCl6 DPs have good structural and thermal stabilities. Our findings indicate that the doping of Fe3+ cations into the Cs2NaBiCl6 lattice is a constructive strategy to enhance significantly the optoelectronic properties of these phosphors.

1 aUdavant, Rohini1 aThawarkar, Sachin1 aRondiya, Sachin1 aShelke, Ankita1 aAher, Rahul1 aAjithkumar, Thalasseril, G.1 aCross, Russell, W.1 aDzade, Nelson, Y.1 aJadkar, Sandesh uhttps://library.ncl.res.in/content/lead-free-solid-state-mechanochemical-synthesis-cs2nabi1-xfexcl6-double-perovskite-reduces02409nas a2200289 4500008004100000022001400041245011300055210006900168260000800237490000700245520141200252653003201664653002301696653001501719653002301734653002101757100002001778700001801798700002201816700001701838700002701855700001601882700002301898700003601921700003001957856013201987 2023 eng d a1614-683200aMade to measure squaramide COF cathode for zinc dual-ion battery with enriched storage via redox electrolyte0 aMade to measure squaramide COF cathode for zinc dualion battery  cSEP0 v133 a

Aqueous rechargeable batteries are promising grid-scale energy storage devices because of their affordability, operational safety, and environmental benignity. Among these, Zn-ion batteries (ZIBs) have unfolded new horizons. Designing superior cathodes for ZIBs is crucial. Covalent organic frameworks (COFs) can be made redox active with a high storage surface. Here, for the first time, a chelating COF with redox-active ZnI2 in a ZnSO4(aq) electrolyte is combined. Including iodide harvests an approximately threefold enhancement in capacity from 208 to 690 mAh g(-1) at 1.5 A g(-1), the highest among all the COF-derived ZIBs. Remarkably, a charge-discharge curve at 1.3 V exhibits very limited dropout voltage and super-flat platform, with a remarkable capacity of 600 mAh g(-1) at 5 A g(-1) stable up to 6000 cycles, confirming that the polyiodide generation and storage are sustainable. The COF's dual-ion storage (Zn2+ and polyidode) delivers a ZIB with the highest energy density. Spectro-electrochemical measurements coupled with X-ray photoelectron spectroscopy unambiguously unveil the existence of multiple polyiodide species, with I-3(-) and IO3- ions as the prominent species. The latter gets reduced at the COF electrode under an applied potential, leaving I-3(-) as the major species stored on the COF. The prospect of COF-polyiodide((aq)) is a windfall for metal-ion batteries.

10acovalent organic frameworks10aflexible batteries10apolyiodide10aredox electrolytes10aZn ion batteries1 aKushwaha, Rinku1 aJain, Chitvan1 aShekhar, Pragalbh1 aRase, Deepak1 aIllathvalappil, Rajith1 aMekan, Deep1 aCamellus, Augastus1 aVinod, Chathakudath, Prabhakara1 aVaidhyanathan, Ramanathan uhttps://library.ncl.res.in/content/made-measure-squaramide-cof-cathode-zinc-dual-ion-battery-enriched-storage-redox-electrolyte01768nas a2200205 4500008004100000245007600041210006900117260000900186300001100195490000600206520109400212653002101306653002701327653002501354100001701379700001901396700001801415700002101433856010801454 2023 eng d00aMeGen-generation of gallium metal clusters using reinforcement learning0 aMeGengeneration of gallium metal clusters using reinforcement le cJUN  a0250320 v43 a

The generation of low-energy 3D structures of metal clusters depends on the efficiency of the search algorithm and the accuracy of inter-atomic interaction description. In this work, we formulate the search algorithm as a reinforcement learning (RL) problem. Concisely, we propose a novel actor-critic architecture that generates low-lying isomers of metal clusters at a fraction of computational cost than conventional methods. Our RL-based search algorithm uses a previously developed DART model as a reward function to describe the inter-atomic interactions to validate predicted structures. Using the DART model as a reward function incentivizes the RL model to generate low-energy structures and helps generate valid structures. We demonstrate the advantages of our approach over conventional methods for scanning local minima on potential energy surface. Our approach not only generates isomer of gallium clusters at a minimal computational cost but also predicts isomer families that were not discovered through previous density-functional theory (DFT)-based approaches.

10agallium clusters10areinforcement learning10astructure generation1 aModee, Rohit1 aVerma, Ashwini1 aJoshi, Kavita1 aPriyakumar, Deva uhttps://library.ncl.res.in/content/megen-generation-gallium-metal-clusters-using-reinforcement-learning02480nas a2200325 4500008004100000245010800041210006900149260000800218300001400226490000600240520139800246653001601644653002401660653002601684653002301710653001501733653001701748100002101765700002601786700002901812700002901841700002501870700002601895700002101921700002201942700001601964700002601980700002602006856012202032 2023 eng d00aMnXWO4 nanostructure-based catalysts for single-step oxidation of cyclohexane and methane to oxygenates0 aMnXWO4 nanostructurebased catalysts for singlestep oxidation of  cAPR a7245-72580 v63 a

Activation of the C-H bond in cyclohexane (CYH) and methane is a crucial step to obtain desirable oxygenated products using nanostructured catalyst and is a great challenge and an efficient route to mitigate the inauspicious effects of climate change. The active sites were identified using XRD, HR-TEM, SEM, N2 sorption analysis, TPR, Raman, XPS, TGA, in situ DRIFT, XAS, etc. In optimal reaction conditions, 46% of CYH was converted into adipic acid (AA) on MnxWO4 nanostructures within 6 h. The recyclability test confirmed the catalyst heterogeneity, which revealed no appreciable loss of catalytic activity even after three consecutive reactions. In situ DRIFT study reveals that CYH is oxidized to cyclohexanone and cyclohexanol (KA oil) and is further oxidized to AA via carboxylate intermediates. DFT studies disclosed that MnOx species are responsible for the C-H activation of CYH, and the Mn2+/Mn3+ redox centers play a vital role in the absorption of KA oil to form AA. Herein, we demonstrated the significant role of the ``MnOx'' species and that adequate Lewis and Bronsted acidic sites, redox centers of (Mn2+/Mn3+), and lattice oxygen are accountable for the CYH conversion toward the AA. Additionally, we have reported the oxidation of methane to methanol (146 mu mole per gram of catalyst) in the presence of water at 75 degrees C without over-oxidation products.

10aAdipic Acid10aC-H bond activation10aCyclohexane oxidation10amethane activation10aMnOx chain10aRedox center1 aPrabu, Marimuthu1 aManikandan, Marimuthu1 aSamal, Pragnya, Paramita1 aGurrala, Lakshmi, Prasad1 aMekala, Siva, Prasad1 aArchana, Ramakrishnan1 aNayak, Chandrani1 aBhattacharyya, D.1 aJha, S., N.1 aKrishnamurty, Sailaja1 aRaja, Thirumalaiswamy uhttps://library.ncl.res.in/content/mnxwo4-nanostructure-based-catalysts-single-step-oxidation-cyclohexane-and-methane02030nas a2200253 4500008004100000022001400041245010900055210006900164260000800233490000600241520111800247653002201365653002701387653003101414653001701445653003201462100002701494700002401521700003401545700001801579700003001597700002701627856012201654 2023 eng d a2367-093200aModular TiO2-squaraine dyes/electrolyte interface for dye-sensitized solar cells with cobalt electrolyte0 aModular TiO2squaraine dyeselectrolyte interface for dyesensitize cAPR0 v73 a

Strategies to diminish both charge recombination and aggregation of dyes on the photoanode by functionalizing the sensitizer with alkyl groups is the best approach to achieve high dyesensitized solar cell (DSSC) efficiency. Development of such a photoanode with NIR-active dyes which is compatible with a cobalt electrolyte is important to enhance the photovoltaic performance. In this report, alkyl-group-wrapped donor-acceptor-donor (D-A-D) based unsymmetrical squaraine dyes have been used for DSSC device characterization with a cobalt electrolyte. Surface passivation of photoanode was varied systematically by the extent of functionalization with alkyl groups to avoid charge recombination. DSSC device performance of 5.92% was achieved for an alkyl-group-wrapped squaraine dye with a cobalt electrolyte. Hence, appending the alkyl groups on the donor unit of squaraine dyes helps passivating the photoanode, whereas introducing hydrophilic groups provides a leaky surface where oxidized electrolyte species reach the titanium-metal-oxide surface which promotes the charge recombination process.

10acounter-electrode10aDSSC device efficiency10aDye-sensitized solar cells10aElectrolytes10aunsymmetrical squaraine dye1 aSingh, Ambarish, Kumar1 aSudhakar, Vediappan1 aJavaregowda, Bharathkumar, H.1 aBisht, Rajesh1 aKrishnamoorthy, Kothandam1 aNithyanandhan, Jayaraj uhttps://library.ncl.res.in/content/modular-tio2-squaraine-dyeselectrolyte-interface-dye-sensitized-solar-cells-cobalt01889nas a2200181 4500008004100000022001400041245011200055210006900167260000800236300001600244490000800260520123600268100001801504700001701522700002301539700001801562856012701580 2023 eng d a1932-744700aMorphology-dependent catalysis by Co3O4 nanostructures in atmospheric pressure carbon dioxide hydrogenation0 aMorphologydependent catalysis by Co3O4 nanostructures in atmosph cJUL a13055-130640 v1273 a

In this work, three Co3O4 nanostructureswith different morphologies (cubes, rods, and sheets) were synthesizedusing a hydrothermal method and tested for the CO2 hydrogenationreaction. The physicochemical properties of the structured Co3O4 were well characterized by X-ray diffraction(XRD), Raman spectroscopy, field-emission scanning electron microscopy(FESEM), transmission electron microscopy (TEM), high-resolution transmissionelectron microscopy (HRTEM), hydrogen temperature-programmed reduction(H-2-TPR), and X-ray photoelectron spectroscopy (XPS) techniques.Based on the characterization, cube, rod, and sheet Co3O4 nanostructures were found to expose the (100), (110),and (112) planes, respectively. The effect of cobalt oxide morphologieswith different exposed surfaces on the activity and selectivity towardCO(2) hydrogenation reaction in a plug-flow reactor operatedbetween 200 and 400 & DEG;C under atmospheric pressure conditionswas explored. The results establish a correlation of the catalyticactivity with morphological structures in the order rods > sheets> cubes. H-2-TPR and XPS studies demonstrated that thehighreducibility of Co3O4 rod makes it an excellentcatalyst for CO2 hydrogenation.

1 aGupta, Sharad1 aJain, Preeti1 aJagadeesan, Dinesh1 aVinod, C., P. uhttps://library.ncl.res.in/content/morphology-dependent-catalysis-co3o4-nanostructures-atmospheric-pressure-carbon-dioxide02483nas a2200217 4500008004100000022001400041245010300055210006900158260000800227300001200235490000700247520173400254653002401988653002602012653003002038653001302068653001402081100002202095700002402117856012402141 2023 eng d a0887-358500aMultistep molecular mechanism of amyloid-like aggregation of nucleic acid-binding domain of TDP-430 aMultistep molecular mechanism of amyloidlike aggregation of nucl cMAY a649-6640 v913 a

TDP-43 protein is associated with many neurodegenerative diseases and has been shown to adopt various oligomeric and fibrillar states. However, a detailed kinetic understanding of the structural transformation of the native form of the protein to the fibrillar state is missing. In this study, we delineate the temporal sequence of structural events during the amyloid-like assembly of the functional nucleic acid-binding domain of TDP-43. We kinetically mapped the aggregation process using multiple probes such as tryptophan and thioflavin T (ThT) fluorescence, circular dichroism (CD), and dynamic light scattering (DLS) targeting different structural events. Our data reveal that aggregation occurs in four distinct steps-very fast, fast, slow, and very slow. The ``very fast'' change results in partially unfolded forms that undergo conformational conversion, oligomerization and bind to ThT in the ``fast step'' to form higher order intermediates (HOI). The temporal sequence of the formation of ThT binding sites and conformational conversion depends upon the protein concentration. The HOI further undergoes structural rearrangement to form protofibrils in the ``slow'' step, which, consequently, assembles in the ``very slow'' step to form an amyloid-like assembly. The spectroscopic properties of the amyloid-like assembly across the protein concentration remain similar. Additionally, we observe no lag phase across protein concentration for all the probes studied, suggesting that the aggregation process follows a linear polymerization reaction. Overall, our study demonstrates that the amyloid-like assembly forms in multiple steps, which is also supported by the temperature dependence of the kinetics.

10aaggregation pathway10aamyloid-like assembly10aconformational conversion10akinetics10aoligomers1 aPillai, Meenakshi1 aJha, Santosh, Kumar uhttps://library.ncl.res.in/content/multistep-molecular-mechanism-amyloid-aggregation-nucleic-acid-binding-domain-tdp-4302193nas a2200241 4500008004100000022001400041245009400055210006900149260000800218300001600226490000600242520135800248100003201606700002501638700001701663700002301680700002201703700002401725700002801749700002801777700002501805856012101830 2023 eng d a2470-134300aNanopore sequencing of RAGE gene polymorphisms and their association with type 2 diabetes0 aNanopore sequencing of RAGE gene polymorphisms and their associa cJUL a25727-257380 v83 a

The receptor foradvanced glycation end products (RAGE)is a transmembraneprotein that interacts with its ligands, advanced glycation end products(AGEs). AGEs are elevated in diabetes and diabetic complications,leading to increased oxidative stress and activation of pro-inflammatorypathways facilitated by AGE-RAGE signaling. Polymorphisms inthe RAGE gene can potentially affect AGE-RAGEinteraction and its downstream signaling, which plays a crucial rolein the progression of diabetes and its complications. In this study,we used nanopore sequencing for genotyping of RAGE polymorphism and identified a maximum number of 33 polymorphisms,including two previously unreported novel mutations in a cohort ofhealthy, type 2 diabetics without nephropathy and type 2 diabeticswith nephropathy in order to identify associations. Two novel RAGE polymorphisms in the intron 8 and 3 & PRIME;UTR regionat genomic locations 32181834 and 32181132, respectively, were detectedwith a low frequency. For four previously reported polymorphisms,cross-validation by PCR-RFLP showed 99.75% concordance with nanoporesequencing. Analysis of genotype distribution and allele frequenciesrevealed that five single nucleotide polymorphisms, i.e., rs1800625,rs3131300, rs3134940, rs2070600, and rs9391855, were associated withan increased risk for type 2 diabetes.

1 aChaurasiya, Arvindkumar, H.1 aKhilari, Ajinkya, A.1 aKazi, Rubina1 aJaiswal, Meera, R.1 aBhoite, Gouri, M.1 aPadwal, Meghana, K.1 aMomin, Abdulrahaman, A.1 aShanmugam, Dhanasekaran1 aKulkarni, Mahesh, J. uhttps://library.ncl.res.in/content/nanopore-sequencing-rage-gene-polymorphisms-and-their-association-type-2-diabetes02082nas a2200325 4500008004100000022001400041245009900055210006900154260000900223300001100232490000800243520103500251653002701286653001601313653001501329653001401344100002701358700001801385700002501403700001701428700002901445700001801474700002001492700002301512700001701535700001901552700003701571700002001608856012801628 2023 eng d a0959-652600aNanosilica from Averrhoa bilimbi juice pre-treated rice husk: preparation and characterization0 aNanosilica from Averrhoa bilimbi juice pretreated rice husk prep cAUG  a1374760 v4133 a

The preparation of nanosilica from rice husk without using any concentrated mineral acids is a novel concept. This work proposes a bioleaching strategy to remove metallic impurities from rice husk for the preparation of nanosilica. Herein, nanosilica (BJRHS) was prepared by calcinating Averrhoa bilimbi juice pre-treated rice husks in a muffle furnace. The chemical and atomic structures of commercial precipitated silica (CS), rice husk ash (RHA), and BJRHS were analyzed using different analytical techniques. The optimal leaching time, calcination temperature, and calcination time were 1 h, 500 degrees C, and 6 h respectively. The particle size of BJRHS was found to be 6-12 nm, which is less than that of RHA and CS. The BET surface area of BJRHS (204 m2/g) was found to be greater than RHA (110.5 m2/g) and CS (172.1 m2/g). Mesoporous nanosilica with excellent surface area and purity was produced sustainably from rice husk which could be recommended to use in the field of catalysis, polymer technology, etc.

10aAverrhoa bilimbi juice10aBioleaching10aNanosilica10arice husk1 aDominic, C., D. Midhun1 aNeenu, K., V.1 aBegum, P., M. Sabura1 aJoseph, Rani1 aRosa, Derval, dos Santos1 aDuan, Yongxin1 aBalan, Aiswarya1 aAjithkumar, T., G.1 aSoumya, Mary1 aShelke, Ankita1 aParameswaranpillai, Jyotishkumar1 aBadawi, Michael uhttps://library.ncl.res.in/content/nanosilica-averrhoa-bilimbi-juice-pre-treated-rice-husk-preparation-and-characterization02704nas a2200337 4500008004100000022001400041245014400055210006900199260000800268300001400276490000800290520156600298653000601864653002601870653001601896653002001912653002201932653002801954100002201982700002002004700002802024700002902052700002202081700002502103700002202128700002202150700001902172700002302191700002902214856012302243 2023 eng d a0273-228900aNovel finding: 2,4-Di-tert-butylphenol from streptomyces bacillaris ANS2 effective against mycobacterium tuberculosis and cancer cell lines0 aNovel finding 24Ditertbutylphenol from streptomyces bacillaris A cNOV a6572-65850 v1953 a

The aim of the present study is to identify actinobacteria Streptomyces bacillaris ANS2 as the source of the potentially beneficial compound 2,4-di-tert-butylphenol, describe its chemical components, and assess its anti-tubercular (TB) and anti-cancer properties. Ethyl acetate was used in the agar surface fermentation of S. bacillaris ANS2 to produce the bioactive metabolites. Using various chromatographic and spectroscopy analyses, the potential bioactive metabolite separated and identified as 2,4-di-tert-butylphenol (2,4-DTBP). The lead compound 2,4-DTBP inhibited 78% and 74% of relative light unit (RLU) decrease against MDR Mycobacterium tuberculosis at 100ug/ml and 50ug/ml concentrations, respectively. The Wayne model was used to assess the latent/dormant potential in M. tuberculosis H37RV at various doses, and the MIC for the isolated molecule was found to be 100ug/ml. Furthermore, the molecular docking of 2,4-DTBP was docked using Autodock Vinasuite onto the substrate binding site of the target Mycobacterium lysine aminotransferase (LAT) and the grid box was configured for the docking run to cover the whole LAT dimer interface. At a dosage of 1 mg/ml, the anti-cancer activity of the compound 2,4-DTBP was 88% and 89% inhibited against the HT 29 (colon cancer) and HeLa (cervical cancer) cell lines. According to our literature survey, this present finding may be the first report on anti-TB activity of 2,4-DTBP and has the potential to become an effective natural source and the promising pharmaceutical drug in the future.

10a210a4-Di-tert-butylphenol10aanti-cancer10aAnti-tubercular10aMolecular docking10aStreptomyces bacillaris1 aKaari, Manigundan1 aJoseph, Jerrine1 aManikkam, Radhakrishnan1 aKalyanasundaram, Revathy1 aSivaraj, Anbarasu1 aAnbalmani, Sivarajan1 aMurthy, Sangeetha1 aSahu, Amit, Kumar1 aSaid, Madhukar1 aDastager, Syed, G.1 aRamasamy, Balagurunathan uhttps://library.ncl.res.in/content/novel-finding-24-di-tert-butylphenol-streptomyces-bacillaris-ans2-effective-against02298nas a2200241 4500008004100000245013900041210006900180260000800249300001400257490000600271520142600277653002201703653001101725653002801736653001501764653002501779653002001804100002101824700003401845700002301879700003001902856012401932 2023 eng d00aOrganic field effect transistors comprising copolymers synthesized without structure-directing moieties with enhanced carrier mobility0 aOrganic field effect transistors comprising copolymers synthesiz cAPR a2338-23440 v53 a

Conjugated materials are synthesized by C-C bond formation reactions. Trimethyltin and boronic acid are two widely used structure-directing moieties. While using the ethynyl moiety as a part of the monomer, additional structure-directing moieties are not needed. However, ethynylene will be part of the conjugated material. Often, the polymers with an ethynylene moiety negatively impact the polymers' properties. However, the ethynylene moiety could minimize the dihedral angle if the monomer has steric functionalities. For example, BODIPY is an attractive monomer due to its high molar extinction coefficient, partial quinoidal character, and high quantum yield. However, materials based on BODIPY exhibited poor charge carrier mobility due to steric hindrance generated by four methyl groups. Herein, we copolymerize BODIPY with ethynylene comprising i-indigo and thieno-i-indigo. The copolymer with thieno-i-indigo showed increased molecular weight and significantly reduced band gap compared to the copolymer with i-indigo. The copolymer with i-indigo showed immeasurably low hole transport mobility. On the other hand, the copolymer with thieno-i-indigo exhibited 0.003 cm2V(-1) s(-1). These measurements were made using field effect transistors. We also measured the charge carrier mobility using the space charge-limited current method. Both copolymers exhibited a mobility of 10(-3) cm(2) V-1 s(-1).

10aacetylene linkage10aBODIPY10afield effect transistor10aiso-indigo10aSonogashira coupling10athienoisoindigo1 aSwain, Gitanjali1 aJavaregowda, Bharathkumar, H.1 aDambhare, Neha, V.1 aKrishnamoorthy, Kothandam uhttps://library.ncl.res.in/content/organic-field-effect-transistors-comprising-copolymers-synthesized-without-structure02242nas a2200217 4500008004100000022001400041245011600055210006900171260000800240300001400248490000700262520148500269100001801754700002001772700002201792700001901814700002201833700001801855700002301873856012801896 2023 eng d a2044-475300aOxidation of ethylene by Cu/TiO2: reducibility of Cu2+ in TiO2 as a possible descriptor of catalytic efficiency0 aOxidation of ethylene by CuTiO2 reducibility of Cu2 in TiO2 as a cAPR a2330-23390 v133 a

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

1 aRajendran, K.1 aSharma, Mandeep1 aJaison, Augustine1 aAnkitha, Menon1 aTiwari, Ankit, D.1 aVinod, C., P.1 aJagadeesan, Dinesh uhttps://library.ncl.res.in/content/oxidation-ethylene-cutio2-reducibility-cu2-tio2-possible-descriptor-catalytic-efficiency02391nas a2200349 4500008004100000022001400041245005100055210005100106260000800157300000900165490000600174520140100180100001801581700002901599700001801628700002001646700001601666700001901682700002301701700002001724700001701744700001701761700001801778700002601796700002001822700003401842700001601876700002001892700002701912700001901939856008301958 2023 eng d a2055-026X00aParallel evolution of cannabinoid biosynthesis0 aParallel evolution of cannabinoid biosynthesis cMAY a817+0 v93 a

This study reveals a cannabinoid biosynthetic pathway in Helichrysum umbraculigerum, a plant genetically distant from Cannabis, providing a potential source of new cannabinoids and metabolic engineering tools. Modulation of the endocannabinoid system is projected to have therapeutic potential in almost all human diseases. Accordingly, the high demand for novel cannabinoids stimulates the discovery of untapped sources and efficient manufacturing technologies. Here we explored Helichrysum umbraculigerum, an Asteraceae species unrelated to Cannabis sativa that produces Cannabis-type cannabinoids (for example, 4.3% cannabigerolic acid). In contrast to Cannabis, cannabinoids in H. umbraculigerum accumulate in leaves' glandular trichomes rather than in flowers. The integration of de novo whole-genome sequencing data with unambiguous chemical structure annotation, enzymatic assays and pathway reconstitution in Nicotiana benthamiana and in Saccharomyces cerevisiae has uncovered the molecular and chemical features of this plant. Apart from core biosynthetic enzymes, we reveal tailoring ones producing previously unknown cannabinoid metabolites. Orthology analyses demonstrate that cannabinoid synthesis evolved in parallel in H. umbraculigerum and Cannabis. Our discovery provides a currently unexploited source of cannabinoids and tools for engineering in heterologous hosts.

1 aBerman, Paula1 ade Haro, Luis, Alejandro1 aJozwiak, Adam1 aPanda, Sayantan1 aPinkas, Zoe1 aDong, Younghui1 aCveticanin, Jelena1 aBarbole, Ranjit1 aLivne, Rotem1 aScherf, Tali1 aShimoni, Eyal1 aLevin-Zaidman, Smadar1 aDezorella, Nili1 aPetrovich-Kopitman, Ekaterina1 aMeir, Sagit1 aRogachev, Ilana1 aSonawane, Prashant, D.1 aAharoni, Asaph uhttps://library.ncl.res.in/content/parallel-evolution-cannabinoid-biosynthesis01482nas a2200277 4500008004100000022001400041245012100055210006900176260000800245300001200253490000700265520056300272653001000835653001400845653001900859653002000878100002400898700002000922700001900942700001700961700002000978700002100998700003001019700002301049856013201072 2023 eng d a0909-049500aPhotocatalytic setup for in situ and operando ambient-pressure X-ray photoelectron spectroscopy at MAX IV Laboratory0 aPhotocatalytic setup for in situ and operando ambientpressure Xr cMAY a613-6190 v303 a

The Ambient-Pressure X-ray Photoelectron Spectroscopy (APXPS) endstation at the SPECIES beamline at MAX IV Laboratory has been improved. The latest upgrades help in performing photo-assisted experiments under operando conditions in the mbar pressure range using gas and vapour mixtures whilst also reducing beam damage to the sample caused by X-ray irradiation. This article reports on endstation upgrades for APXPS and examples of scientific cases of in situ photocatalysis, photoreduction and photo-assisted atomic layer deposition (photo-ALD).

10aAPXPS10aphoto-ALD10aPhotocatalysis10asolar simulator1 aKlyushin, Alexander1 aGhosalya, Manoj1 aKokkonen, Esko1 aEads, Calley1 aJones, Rosemary1 aNalajala, Naresh1 aGopinath, Chinnakonda, S.1 aUrpelainen, Samuli uhttps://library.ncl.res.in/content/photocatalytic-setup-situ-and-operando-ambient-pressure-x-ray-photoelectron-spectroscopy-max01973nas a2200241 4500008004100000022001400041245007800055210006900133260000800202300001200210490000800222520119700230653001801427653003701445653001901482653002601501100001701527700002001544700002001564700001801584700001901602856011001621 2023 eng d a0021-979700aPhotoinduced CO2 and N2 reductions on plasmonically enabled gallium oxide0 aPhotoinduced CO2 and N2 reductions on plasmonically enabled gall cJAN a654-6660 v6293 a

Ag-containing ZnO/ b-Ga2O3 semiconductor, which exhibit reduced bandgap, increased light absorption, and hydrophilicity, have been found to be useful for photocatalytic CO2 reduction and N2 fixation by water. The charge-separation is facilitated by the new interfaces and inherent vacancies. The Ag@GaZn demonstrated the highest photocurrent response, about 20-and 2.27-folds that of the Ga and GaZn sam-ples, respectively. CO, CH4, and H2 formed as products for photo-reduction of CO2. Ag@GaZn catalyst exhibited the highest AQY of 0.121 % at 400 nm (31.2 W/m2). Also, Ag@GaZn generated 740 lmolg-1 of NH4+ ions, which was about 18-folds higher than Ga sample. In situ DRIFTS for isotopic-labelled 13CO2 and 15N2 reaffirmed the photo-activity of as-synthesized catalysts. Density functional theory pro-vided insight into the relative affinity of different planes of heterostructures towards H2O, CO2 and N2 molecules. The structure-photoactivity rationale behind the intriguing Ag@GaZn sample offers a funda-mental insight into the role of plasmonic Ag and design principle of heterostructure with improved pho-toactivity and stability.(c) 2022 Elsevier Inc. All rights reserved.

10aCO2 reduction10aDRIFTS density functional theory10ahydrophilicity10aPhotocurrent response1 aOjha, Niwesh1 aThakkar, Kavita1 aBajpai, Abhinav1 aJoshi, Kavita1 aKumar, Sushant uhttps://library.ncl.res.in/content/photoinduced-co2-and-n2-reductions-plasmonically-enabled-gallium-oxide02862nas a2200205 4500008004100000022001400041245009900055210006900154260000800223300001600231490000700247520213700254100002402391700002602415700002202441700002202463700002602485700001702511856012802528 2023 eng d a1463-907600aQuantum dot (Aun/Agn, n=3-8) capped single lipids: interactions and physicochemical properties0 aQuantum dot AunAgn n38 capped single lipids interactions and phy cAUG a22294-223030 v253 a

Realizing the potential of nano-hybrid biomaterials in various applications (nanoprobes to drug delivery), special attention has been devoted towards their synthesis and development. Nonetheless, several questions pertaining to the interface chemistry between the constituent entities (biomolecules and organic/inorganic part) of these hybrids, still remain unresolved. Keeping these unsolved issues in mind, the present theoretical investigation focuses on determining the electronic/physicochemical properties and interactions within gold and silver quantum dot-capped single lipid molecules. Quantum dots of varying sizes and shapes have been chosen and then coupled with lipid molecules (1,2-dimyristoyl-sn-glycero-3-phosphocholine (DMPC), 1,2-dimyristoyl-sn-glycero-3-phosphoethanolamine (DMPE), 1,2-dimyristoyl-sn-glycero-3-phosphoglycerol, sodium salt (DMPG)), at the choline/glycerol, carboxylate and phosphate site. It has been identified that Au Qds interact strongly as compared to Ag clusters. In addition to the type, the shape and size of the Qd also influences their attachment with lipids. Among various sites, the phosphate site provides a considerably stronger platform for the coupling of Qds. On the other hand, attachment at the choline site leads to significantly lower interaction energies. The trend noted in interaction energies coincides with the structure-electronic property analysis (interatomic bond distances, charge transfer, PO2- stretching frequencies), which further helps in deducing the nature of interactions. The molecular dynamics simulations performed on selected Qd-lipid complexes established that the Qd interacting with lipids at the phosphate site remains fairly stable at room temperature without undergoing fragmentation into individual components. On the other hand, at the choline site, the Qd-to-lipid coupling is unstable and therefore they experience disintegration at 300 K temperature. Additionally, a unique glycerol-to-phosphate site crossover is evidenced, which reaffirms that the phosphate site is selectively preferred by Qds for binding with lipid molecules.

1 aManeri, Asma, H. H.1 aVarode, Shruti, Suhas1 aMaibam, Ashakiran1 aRanjan, Priyatosh1 aKrishnamurty, Sailaja1 aJoshi, Krati uhttps://library.ncl.res.in/content/quantum-dot-aunagn-n3-8-capped-single-lipids-interactions-and-physicochemical-properties01965nas a2200169 4500008004100000022001400041245010400055210006900159260000900228300001400237490000600251520132700257100002901584700002401613700002601637856013201663 2023 eng d a2058-988300aReaction pathways and kinetics of N-acetyl-d-glucosamine hydrolysis in sub- and supercritical water0 aReaction pathways and kinetics of Nacetyldglucosamine hydrolysis cMAY  a1097-11080 v83 a

Subcritical and supercritical water hydrolysis of N-acetyl-d-glucosamine (NAG) to value-added chemicals has been studied in detail. Experiments were carried out using a continuous flow reactor by varying temperature (250-400 degrees C), pressure (5-25 MPa) and residence time (2-60 s). A wide product distribution was obtained during the reactions, including solid, liquid and gaseous compounds, sensitive to the state of water: sub- or supercritical. Subcritical conditions promoted the formation of solid compounds, whereas gasification was favored in supercritical water. The prominent products present in the liquid fraction were glycolic acid, acetic acid, formic acid, 5-HMF and acetamide. The formation of a few distinct nitrogen-containing heterocyclic compounds was observed only in supercritical water. Following instantaneous deacetylation of NAG, several oxidation, reduction and secondary reactions occur during hydrolysis of NAG in subcritical and supercritical water. A kinetic model for the prediction of yields of acetic acid, glycolic acid and formic acid is developed. The network of reactions showed specifc deviations from conventional understanding. The current findings show that it is possible to develop a suitable process to make a set of value-added chemicals from chitinous biomass.

1 aKulkarni, Sphurti, P. P.1 aJoshi, Sunil, S. S.1 aKulkarni, Amol, A. A. uhttps://library.ncl.res.in/content/reaction-pathways-and-kinetics-n-acetyl-d-glucosamine-hydrolysis-sub-and-supercritical-water02279nas a2200265 4500008004100000022001400041245011900055210006900174260000800243300001400251490000700265520136700272653000801639653001001647653001801657653002801675100002401703700002601727700002601753700002301779700003201802700002801834700002601862856012501888 2023 eng d a0366-635200aRecyclable Pd nanoparticles immobilized on amine functionalized LDH for the Suzuki-Miyaura cross-coupling reaction0 aRecyclable Pd nanoparticles immobilized on amine functionalized  cSEP a5555-55690 v773 a

In the present work, we invented a Pd nanoparticle immobilized on an amine-functionalized LDH catalyst (PdNP@NH2LDH-Al-MCM-41) for cross-coupling reactions. The palladium was grafted onto the support by treating the Pd(OAc)(2) with NH2-LDH-Al-MCM-41 in acetone at room temperature. The prepared catalyst was characterized by FT-IR, SEM, TGA, TEM, and XPS techniques. The TEM characterization of the catalyst showed the uniform distribution of PdNPs with sizes ranging from 3 to 6 nm located inside the mesoporous. The Suzuki-Miyaura cross-coupling reaction was used to demonstrate the catalytic efficiency of the prepared PdNPs@NH2-LDH-Al-MCM-41 catalyst. The prepared and analyzed catalyst showed good to excellent activity in the Suzuki-Miyaura cross-coupling reaction of various aryl bromides with different aryl boronic acids in ethanol at 80 degrees C. The catalyst showed TON up to similar to 47 and TOF similar to 47 h(-1). The catalytic results exhibited that the catalyst is completely recoverable with simple filtration. The catalytic efficiency shows a slight decrease in activity for the Suzuki-Miyaura cross-coupling reactions even after five repeated recycles. TEM images of the freshly prepared and reused catalysts (after five catalytic cycles) showed palladium nanoparticles remain unchanged at the end of the reactions. [GRAPHICS] .

10aLDH10aPdNPs10aRecyclability10aSuzuki-Miyaura coupling1 aPatil, Seema, P. P.1 aJadhav, Sanjay, N. N.1 aInamdar, Firoz, A. A.1 aAmeen, Mohd, Aatif1 aRode, Chandrashekhar, V. V.1 aRajmane, Archana, S. S.1 aKumbhar, Arjun, S. S. uhttps://library.ncl.res.in/content/recyclable-pd-nanoparticles-immobilized-amine-functionalized-ldh-suzuki-miyaura-cross02364nas a2200229 4500008004100000022001400041245008700055210006900142260000900211300001200220490000700232520163500239653001201874653002301886653002501909653001101934653001401945100002601959700002401985700002202009856010302031 2023 eng d a0959-665800aRegulation of trehalose metabolism in insects: from genes to the metabolite window0 aRegulation of trehalose metabolism in insects from genes to the  cMAY  a262-2730 v333 a

Trehalose is a major circulatory sugar in the haemolymph of insects. It provides instant energy and protection against stress. Trehalose metabolism is associated with insect growth and development. The architecture and spatio-temporal expression dynamics of trehalose metabolism and transport genes are key for regulation. These genes are controlled by various transcription factors, largely linked to nutrition, insect development, and metamorphosis. Also, trehalose levels are affected by substrate affinities and modifications of enzymes involved in the pathway. A feedback mechanism involving the precursors and products can regulate trehalose metabolism. Further, the neuroendocrine system controls trehalose levels under normal and stressed conditions by producing different hormones. Hypotrehalosemic hormones work under surplus energy conditions to activate haemolymph trehalose uptake and degradation. In contrast, hypertrehalosemic hormones stimulate trehalose production in the fat body and its transport to the haemolymph. However, trehalose metabolism regulation in insects needs to be studied in detail. This review discusses aspects of trehalose synthesis, transport, and degradation dynamics in developmental transition and stress response. Unraveling the epigenetic factors, transcriptional control and chemical or genetic modulators can provide further insights into the intricate regulation of trehalose in a development- and tissue-specific manner. This molecular information about effectors and regulators of trehalose metabolism can be applied in developing diverse biotechnological applications.

10aHormone10aInsect development10aMetabolic regulation10aStress10atrehalose1 aTellis, Meenakshi, B.1 aKotkar, Hemlata, M.1 aJoshi, Rakesh, S. uhttps://library.ncl.res.in/content/regulation-trehalose-metabolism-insects-genes-metabolite-window02608nas a2200217 4500008004100000245014200041210006900183260000800252300000700260490000600267520182300273100001802096700001602114700002102130700002002151700002302171700002102194700002302215700002302238856012902261 2023 eng d00aResponse of cardiac pulse parameters in humans at various inclinations via 360° rotating platform for simulated microgravity perspective0 aResponse of cardiac pulse parameters in humans at various inclin cJUL a540 v93 a

On the Earth, the human body is designed and adapted to function under uniform gravitational acceleration. However, exposure to microgravity or weightlessness as experienced by astronauts in space causes significant alterations in the functioning of the human cardiovascular system. Due to limitations in using real microgravity platforms, researchers opted for various ground-based microgravity analogs including head-down tilt (HDT) at fixed inclination. However, in the present study, an investigation of response of various cardiac parameters and their circulatory adaptation in 18 healthy male subjects was undertaken by using an indigenously developed 360 & DEG; rotating platform. Cardiac pulse was recorded from 0 & DEG; to 360 & DEG; in steps of 30 & DEG; inclination using piezoelectric pulse sensor (MLT1010) and associated cardiac parameters were analyzed. The results showed significant changes in the pulse shape while an interesting oscillating pattern was observed in associated cardiac parameters when rotated from 0 & DEG; to 360 & DEG;. The response of cardiac parameters became normal after returning to supine posture indicating the ability of the cardiovascular system to reversibly adapt to the postural changes. The observed changes in cardiac parameters at an inclination of 270 & DEG;, in particular, were found to be comparable with spaceflight studies. Based on the obtained results and the proposed extended version of fluid redistribution mechanism, we herewith hypothesize that the rotation of a subject to head down tilt inclination (270 & DEG;) along with other inclinations could represent a better microgravity analog for understanding the cumulative cardiac response of astronauts in space, particularly for short duration space missions.

1 aJagtap, Sagar1 aKumar, Ajay1 aMahale, Bhoopesh1 aDixit, Jyotsana1 aKalange, Ashok, E.1 aKanawade, Rajesh1 aGangal, Shashikala1 aVidyasagar, Pandit uhttps://library.ncl.res.in/content/response-cardiac-pulse-parameters-humans-various-inclinations-360%C2%B0-rotating-platform02043nas a2200229 4500008004100000022001400041245010200055210006900157260000900226300001600235490000700251520124200258100002301500700003001523700002201553700002101575700001901596700002801615700002501643700001701668856012801685 2023 eng d a0020-166900aRobust zeolitic tetrazole framework for electrocatalytic dopamine detection with high selectivity0 aRobust zeolitic tetrazole framework for electrocatalytic dopamin cNOV  a20236-202410 v623 a

A novel zeolitic tetrazolate framework (ZTF-8) has been synthesized by solvent-free heat-assisted (70 C-degrees) mechanochemical grinding of zinc acetate and 5-methyl tetrazole in the presence of NaOH powder. The structure of ZTF-8 adopts the zeolitic sodalite (SOD) topology with uncoordinated N-heteroatom sites and resembles the structure of the well-known zeolitic imidazole framework ZIF-8. ZTF-8 is exceptionally stable in 0.1 M aqueous acid and base solutions for 60 days at 25 C-degrees. The unique structure with uncoordinated N-heteroatom active sites and exceptional stability of ZTF-8 facilitated the electrocatalytic oxidation of dopamine to dopamine quinone at neutral pH. Without any postsynthetic modification, ZTF-8 is directly used for the facile electrochemical detection of dopamine over a wide range of concentrations (5-550 mu M) with a high sensitivity (2410.8 mu A mM-1 cm-2). It also demonstrated promising selectivity over other interferents of similar oxidation potential, such as ascorbic acid and uric acid. The DFT study revealed that the ZTF-8 framework has a higher binding energy (-145.07 kJ/mol) and stronger interaction with dopamine than its isostructural ZIF-8 structure (-130.42 kJ/mol).

1 aSarfudeen, Shafeeq1 aSruthi, Vadakke, Purakkal1 aMaibam, Ashakiran1 aPanda, Premchand1 aJhariat, Pampa1 aSenthilkumar, Sellappan1 aBabaRao, Ravichandar1 aPanda, Tamas uhttps://library.ncl.res.in/content/robust-zeolitic-tetrazole-framework-electrocatalytic-dopamine-detection-high-selectivity02270nas a2200253 4500008004100000022001400041245017900055210006900234260000800303300001500311490000600326520131200332653004101644653002001685653001801705653001901723653000801742100002601750700002701776700002701803700002701830700002801857856013101885 2023 eng d a2365-654900aSelective one pot multicomponent green synthesis of 3-[(aryl)(arylthio)methyl]-1H-indole derivatives utilizing enhanced Lewis acidic sites of Surfactant-assisted ZnO catalyst0 aSelective one pot multicomponent green synthesis of 3arylarylthi cMAY ae2023007360 v83 a

Five different ZnO nanocrystallites (ZnO-1 to ZnO-5) were successfully synthesized by a surfactant-assisted hydrothermal technique using various surfactants. All the ZnO nanocrystallites are thoroughly characterized by XRD, IR, UV-DRS spectroscopy and FESEM-EDS analysis. Among the synthesized ZnO nanocrystallites, the CTAB-assisted synthesized ZnO-4 exhibited a fine disc-like morphology with a minimum crystallite size (23 nm). Subsequent to reaction optimization studies, the ZnO-4 is utilized as an efficient catalyst for one pot-three component green synthesis of 3-[(aryl)(arylthio)methyl]-1H-indoles (4a-4p) via. condensation of a variety of indoles, aromatic aldehydes and aromatic thiols at room temperature in water. The single-crystal X-ray structure of 3-[(phenyl)(phenylthio)methyl]-1H-indole (4a) is also been reported (CCDC 2170437). The Lewis acidic property of the catalyst-supported probable mechanism is well proposed subsequent to pyridine-IR studies of the ZnO catalysts. Indeed, CTAB-assisted synthesized ZnO-4 was found to be most effective and selective Lewis acid catalyst for the synthesis of a variety of 3-[(aryl)(arylthio)methyl]-1H-indole derivatives in water at ambient temperature with merits like higher yields, lower reaction time, catalyst recovery and reuse.

10a3-[(aryl)(arylthio)methyl]-1H-indole10agreen synthesis10aLewis acidity10aSingle crystal10aZnO1 aSangale, Vijay, B. B.1 aJagtap, Rohidas, M. M.1 aMali, Bhupendra, P. P.1 aGonnade, Rajesh, G. G.1 aPardeshi, Satish, K. K. uhttps://library.ncl.res.in/content/selective-one-pot-multicomponent-green-synthesis-3-arylarylthiomethyl-1h-indole-derivatives01942nas a2200229 4500008004100000022001400041245012400055210006900179260000800248300001100256490000800267520108800275653003101363653001701394653002901411653002301440653002901463653004001492100002401532700002401556856013201580 2023 eng d a0301-462200aShapeshifter TDP-43: molecular mechanism of structural polymorphism, aggregation, phase separation and their modulators0 aShapeshifter TDP43 molecular mechanism of structural polymorphis cAPR a1069720 v2953 a

TDP-43 is a nucleic acid-binding protein that performs physiologically essential functions and is known to un-dergo phase separation and aggregation during stress. Initial observations have shown that TDP-43 forms het-erogeneous assemblies, including monomer, dimer, oligomers, aggregates, phase-separated assemblies, etc. However, the significance of each assembly of TDP-43 concerning its function, phase separation, and aggregation is poorly known. Furthermore, how different assemblies of TDP-43 are related to each other is unclear. In this review, we focus on the various assemblies of TDP-43 and discuss the plausible origin of the structural het-erogeneity of TDP-43. TDP-43 is involved in multiple physiological processes like phase separation, aggregation, prion-like seeding, and performing physiological functions. However, the molecular mechanism behind the physiological process performed by TDP-43 is not well understood. The current review discusses the plausible molecular mechanism of phase separation, aggregation, and prion-like propagation of TDP-43.

10aAmyloid versus non-amyloid10aCoacervation10aEnvironmental conditions10aPrion-like seeding10aStructural heterogeneity10aThermodynamic and kinetic mechanism1 aDoke, Abhilasha, A.1 aJha, Santosh, Kumar uhttps://library.ncl.res.in/content/shapeshifter-tdp-43-molecular-mechanism-structural-polymorphism-aggregation-phase-separation01732nas a2200193 4500008004100000022001400041245011300055210006900168260000900237300001600246490000700262520102600269100001601295700002201311700002701333700001901360700003001379856012901409 2023 eng d a0020-166900aSquarate-tethered enantiomeric Imido-Pd(II) cages for recognition and separation of chiral organic molecules0 aSquaratetethered enantiomeric ImidoPdII cages for recognition an cNOV  a19375-193810 v623 a

Chiral coordination cages have emerged as an efficient platform for enantioselective processes via host-guest interactions. Here, we report an enantiomeric pair of tetrahedral cages of formula [(Pd-3[PO(N(*CH(CH3)Ph)(3)])(4)(C4O4)(6)] supported by chiral tris(imido)phosphate trianions and squarate (C4O4)(2-) linkers. These cages exhibit unusual coordination isomerism for Pd(II)-linker bonds compared with the other Pd(II) cages of this family. Further, they were employed for the recognition and separation of small chiral molecules containing various functionalities. High enantioselectivities of 67 and 41 were found in the case of R-4-hydroxydihydrofuran-2(3H)-one and S-epichlorohydrin, recognized by the R-isomer of the cage. Chiral separation studies showed remarkable enantiomeric excess values of 93 and 85% for S-epichlorohydrin and R-4-benzyl-2-oxazolidinone, respectively, from their racemic mixtures. These studies showcase the potential of coordination cages for enantioselective applications.

1 aJose, Cavya1 aSarkar, Meghamala1 aRajasekar, Prabhakaran1 aTewari, Tanuja1 aBoomishankar, Ramamoorthy uhttps://library.ncl.res.in/content/squarate-tethered-enantiomeric-imido-pdii-cages-recognition-and-separation-chiral-organic01988nas a2200217 4500008004100000022001400041245017200055210006900227260000900296300001600305490000700321520113700328100002901465700002901494700002601523700002401549700002201573700001501595700002901610856013101639 2023 eng d a0743-746300aSulfonated zinc phthalocyanine coating as an efficient and ecofriendly corrosion inhibitor for copper surfaces: an in silico led design and its experimental validation0 aSulfonated zinc phthalocyanine coating as an efficient and ecofr cNOV  a17295-173070 v393 a

The current study highlights the successful integration of an in silico design with experimental validation to create a highly effective corrosion inhibitor for copper (Cu) surfaces. The synthesized sulfonated zinc phthalocyanine (Zn-Pc) is electrochemically characterized and demonstrates an impressive 97% inhibition efficiency, comparable to the widely used industrial corrosion inhibitor, BTA, for Cu surfaces. The corrosion inhibition is comprehensively analyzed through potentiodynamic polarization and impedance spectroscopy techniques, supported by their respective equivalent circuits. Furthermore, the sample undergoes thorough characterization using scanning electron microscopy, energy-dispersive X-ray analysis, X-ray photoelectron spectroscopy, contact angle measurements, and atomic force microscopy. Density functional theory calculations reveal that sulfonated Zn-Pc exhibits the highest interaction energy, underscoring its exceptional inhibition properties. These results open possibilities for utilizing computational methods to design and optimize corrosion inhibitors for protection of Cu surfaces.

1 aDekshinamoorthy, Amuthan1 aSamal, Pragnya, Paramita1 aKrishnamurty, Sailaja1 aKhatri, Praveen, K.1 aJain, Suman, Lata1 aRay, Anjan1 aVijayaraghavan, Saranyan uhttps://library.ncl.res.in/content/sulfonated-zinc-phthalocyanine-coating-efficient-and-ecofriendly-corrosion-inhibitor-copper02939nas a2200145 4500008004100000245011700041210006900158260000800227490000700235520234800242100002102590700002502611700002802636856012902664 2023 eng d00aSynthesis, characterization and post-modification of aromatic (Co)polyesters possessing pendant maleimide groups0 aSynthesis characterization and postmodification of aromatic Copo cSEP0 v353 a

A new series of (co)polyesters possessing pendent maleimide groups was synthesized by low temperature solution polycondensation of 4, 4’-(5-maleimidopentane-2, 2-diyl) diphenol (BPA-MA) with isophthalic acid chloride (IPC), terephthalic acid chloride (TPC) and a mixture of TPC and IPC (50:50 mol %). Copolyesters were also synthesized by polycondensation of varying compositions of BPA-MA and bisphenol-A (BPA) with IPC. The chemical structures and compositions of (co)polyesters were confirmed by NMR spectroscopy. Inherent viscosity values and number-average molecular weights of (co)polyesters were in the range 0.50–0.76 dL/g and 17,700-32,100 g/mol, respectively, indicating the formation of reasonably high molecular weight polymers. (Co)polyesters were readily soluble in common organic solvents and could be cast into tough, transparent and flexible films from chloroform solutions. (Co)polyesters exhibited 10% weight loss and glass transition temperatures in the range 464–468 and 142–178°C, respectively. A representative copolyester possessing pendant maleimide groups was chemically modified via metal-free azide-maleimide 1,3-dipolar cycloaddition click reaction with two azido compounds, namely, (azidomethyl)benzene (Bz-N3) and 1-(azidomethyl)-pyrene (Py-N3) to yield corresponding modified copolyesters in a quantitative manner.

1 aJadhav, Uday, A.1 aNagane, Samadhan, S.1 aWadgaonkar, Prakash, P. uhttps://library.ncl.res.in/content/synthesis-characterization-and-post-modification-aromatic-copolyesters-possessing-pendant02508nas a2200253 4500008004100000022001400041245012300055210006900178260000800247300001100255490000700266520164100273653002201914653002601936653002101962653002601983653001302009653001602022100001902038700001802057700002402075700003102099856012402130 2023 eng d a0969-023900aSynthesis of N-oxyethylene substituted imidazolium-based zwitterions as a recyclable solvent for cellulose dissolution0 aSynthesis of Noxyethylene substituted imidazoliumbased zwitterio cJAN a87-1090 v303 a

Cellulose is a readily available, renewable, and natural biomaterial that has the potential to replace synthetic fibres. However, their processing to shaped materials such as fibre or film is still complex and restricted due to its insolubility in most conventional solvents. Herein, we present the synthesis and cellulose dissolution characteristics of a new class of recyclable zwitterions composed of tethered N-oxyethylene substituted imidazolium cation and alkyl carboxylate anion. Investigations on cellulose dissolution showed that increasing the alkyl chain length of carboxylate anion and introduction of oxyethylene unit on imidazolium ring led to better cellulose dissolution ability, and up to 12% (w/w) cellulose could be dissolved in aqueous zwitterions at 105 degrees C. The thermal behavior of zwitterions and their cellulose solutions was characterized by TGA and found to be more stable than the NMMO and Lyocell solutions. Rheological characterization of cellulose solutions revealed viscoelastic behavior and zero shear viscosity of 6-12% (w/w) cellulose solution in hexanoate containing aqueous zwitterion was 555 to 5900 Pa.s at 120 degrees C. The characteristics of cellulose solution indicate its potential for processing to cellulose fibre by extrusion through a tiny spinneret. Physico-chemical analysis of regenerated cellulose indicates that zwitterions cause no adverse effect on cellulose structure and morphology during dissolution. The zwitterions are recovered after the cellulose regeneration process, and the recovery was found to be 99.6% after purification using the ion-exchange method.

10aCarboxylate anion10aCellulose dissolution10aOxyethylene unit10aRegenerated cellulose10aRheology10azwitterions1 aJadhav, Sachin1 aGanvir, Vivek1 aSingh, Madan, Kumar1 aShanmuganathan, Kadhiravan uhttps://library.ncl.res.in/content/synthesis-n-oxyethylene-substituted-imidazolium-based-zwitterions-recyclable-solvent02348nas a2200265 4500008004100000022001400041245014300055210006900198260000800267300001200275490000800287520138500295653003201680653002801712100001801740700002001758700001701778700002201795700001901817700001901836700003201855700003601887700003001923856012901953 2023 eng d a0002-786300aTailoring COFs: transforming nonconducting 2D layered COF into a conducting quasi-3D architecture via interlayer knitting with polypyrrole0 aTailoring COFs transforming nonconducting 2D layered COF into a  cDEC a487-4990 v1463 a

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

10acovalent organic frameworks10aElectrical conductivity1 aJain, Chitvan1 aKushwaha, Rinku1 aRase, Deepak1 aShekhar, Pragalbh1 aShelke, Ankita1 aSonwani, Disha1 aAjithkumar, Thalasseril, G.1 aVinod, Chathakudath, Prabhakara1 aVaidhyanathan, Ramanathan uhttps://library.ncl.res.in/content/tailoring-cofs-transforming-nonconducting-2d-layered-cof-conducting-quasi-3d-architecture04148nas a2200589 4500008004100000022001400041245012400055210006900179260000800248300001400256490000700270520236200277653001302639653001002652653001202662653003602674653002302710653003402733100002102767700001702788700002102805700002102826700002102847700001902868700001602887700002302903700001702926700002702943700001902970700001902989700002103008700001803029700002003047700001903067700001903086700002103105700002203126700001903148700002203167700001903189700001803208700001903226700002303245700001803268700002003286700002403306700002603330700002803356700002103384700002603405856012703431 2023 eng d a1876-034100aTale of two waves: Delineating diverse genomic and transmission landscapes driving the COVID-19 pandemic in Pune, India0 aTale of two waves Delineating diverse genomic and transmission l cAUG a1290-13000 v163 a

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

10aCOVID-1910aDelta10aOmicron10aSARS-CoV-2 genomic surveillance10aVariant of concern10aWhole Genome Sequencing (WGS)1 aNiveditha, Divya1 aKhan, Soumen1 aKhilari, Ajinkya1 aNadkarni, Sanica1 aBhalerao, Unnati1 aKadam, Pradnya1 aYadav, Ritu1 aKanekar, Jugal, B.1 aShah, Nikita1 aLikhitkar, Bhagyashree1 aSawant, Rutuja1 aThakur, Shikha1 aTupekar, Manisha1 aNagar, Dhriti1 aRao, Anjani, G.1 aJagtap, Rutuja1 aJogi, Shraddha1 aBelekar, Madhuri1 aPathak, Maitreyee1 aShah, Priyanki1 aRanade, Shatakshi1 aPhadke, Nikhil1 aDas, Rashmita1 aJoshi, Suvarna1 aKaryakarte, Rajesh1 aGhose, Aurnab1 aKadoo, Narendra1 aShashidhara, L., S.1 aMonteiro, Joy, Merwin1 aShanmugam, Dhanasekaran1 aRaghunathan, Anu1 aKarmodiya, Krishanpal uhttps://library.ncl.res.in/content/tale-two-waves-delineating-diverse-genomic-and-transmission-landscapes-driving-covid-1902235nas a2200217 4500008004100000022001400041245012000055210006900175260000900244300001100253490000900264520144800273653002901721653002501750653003401775653001101809653002801820100001701848700002401865856012801889 2023 eng d a1570-963900aThermodynamic modulation of folding and aggregation energy landscape by DNA binding of functional domains of TDP-430 aThermodynamic modulation of folding and aggregation energy lands cJUL  a1409160 v18713 a

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

10aAmyloid-like aggregation10aNucleic acid binding10aRNA recognition motifs (RRMs)10aTDP-4310aThermodynamic stability1 aPatni, Divya1 aJha, Santosh, Kumar uhttps://library.ncl.res.in/content/thermodynamic-modulation-folding-and-aggregation-energy-landscape-dna-binding-functional02593nas a2200277 4500008004100000022001400041245012100055210006900176260000800245300001100253490000800264520165000272653002001922653002501942653001101967653002101978653001401999100002602013700003002039700002602069700002202095700002502117700002402142700002202166856012702188 2023 eng d a0378-111900aTrehalose transporter-like gene diversity and dynamics enhances stress response and recovery in Helicoverpa armigera0 aTrehalose transporterlike gene diversity and dynamics enhances s cAPR a1472590 v8623 a

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

10aGene expression10aHelicoverpa armigera10aStress10aTransporter-like10atrehalose1 aTellis, Meenakshi, B.1 aChaudhari, Bhagyashri, Y.1 aDeshpande, Shweta, V.1 aNikam, Sanika, V.1 aBarvkar, Vitthal, T.1 aKotkar, Hemlata, M.1 aJoshi, Rakesh, S. uhttps://library.ncl.res.in/content/trehalose-transporter-gene-diversity-and-dynamics-enhances-stress-response-and-recovery01927nas a2200169 4500008004100000022001400041245009000055210006900145260000800214300001600222490000600238520133100244100002401575700002601599700001701625856011501642 2023 eng d a2470-134300aUnderstanding the stability of an unprecedented Si-Be bond within quantum confinement0 aUnderstanding the stability of an unprecedented SiBe bond within cAPR a14814-148220 v83 a

As of today, the Si-Be bond remains underexplored in the literature, and therefore its anomalous behavior continues to be an unsolved puzzle to date. Therefore, the present study aims at evaluating the integrity of an unprecedented Si-Be bond within quantum confinement. To accomplish this, first-principles-based calculation are performed on Be-doped silicon clusters with atomic sizes 6, 7, and 10. Silicon clusters are sequentially doped with one, two, and three Be atoms, and their thermal response is registered in the temperature range of 200-1500 K, which discloses several research findings. During the course of the simulations, the clusters face various thermal events such as solid cluster phase, rapid structural metamorphosis, and fragmentation. Si-Be nanoalloy clusters are noted to be thermally stable at lower temperatures (200-700 K); however, they begins to disintegrate earlier at a temperature as low as 800 K. This lower stability is attributed to the weak nature of Si and Be heteroatomic interactions, which is corroborated from the structural and electronic property analysis of the doped clusters. In addition to this, the performance of Be-doped clusters at finite temperatures is also compared with the thermal response of two other popular systems, viz., C-and B-doped silicon clusters.

1 aManeri, Asma, Harun1 aKrishnamurty, Sailaja1 aJoshi, Krati uhttps://library.ncl.res.in/content/understanding-stability-unprecedented-si-be-bond-within-quantum-confinement02238nas a2200205 4500008004100000022001400041245012800055210006900183260000900252300001600261490000600277520148500283100002101768700002001789700002701809700002301836700002201859700002001881856013101901 2024 eng d a2470-134300aAdsorption based downstream processing approach for penicillin V from a Penicillium chrysogenum BIONCL I22 culture filtrate0 aAdsorption based downstream processing approach for penicillin V cJUN  a25859-258690 v93 a

Penicillin V (phenoxy methyl penicillin) is highly sought after among natural penicillins because of its exceptional acid stability and effectiveness against common skin and respiratory infections. Given its wide-ranging therapeutic uses, there is a need to establish a greener method for its maximum recovery to reduce the carbon footprint. Here, we have identified and validated optimized operational conditions for resin-based penicillin V recovery. It was observed that Amberlite XAD4 had the highest penicillin V hydrophobic adsorption capacity among the other screened resins. Kinetic and isothermal studies using linear and nonlinear regression analysis showed that the adsorption process well fitted with pseudo-second-order kinetics (R-2 = 0.9816) and the Freundlich adsorption isotherm model (R-2 = 0.9871). Adsorption equilibrium was attained within 4 h, while maximum adsorption was observed at 3 mg/mL penicillin V concentration. Furthermore, the optimized extraction protocol was compared with the conventional butyl acetate-based downstream processing. Under optimum conditions resin-based penicillin V recovery was 2-fold higher as compared to the solvent extraction method and the resin could be reused for over six cycles without compromising the yield. These findings signify substantial progress toward the development of an environmentally sustainable approach for penicillin V recovery and a potentially viable method for extractive fermentation.

1 aMishal, Bela, H.1 aDas, Sancharini1 aMahajan, Vaishnavi, N.1 aDharne, Mahesh, S.1 aJoshi, Rakesh, S.1 aGiri, Ashok, P. uhttps://library.ncl.res.in/content/adsorption-based-downstream-processing-approach-penicillin-v-penicillium-chrysogenum-bioncl01695nas a2200205 4500008004100000022001400041245010500055210006900160260000800229300001100237490000800248520097100256653002401227653001501251653002301266100002301289700002401312700002501336856012801361 2024 eng d a0040-403900aAlternative synthetic route for the pharmacophore of anticancer agent: triazolopyridazine derivative0 aAlternative synthetic route for the pharmacophore of anticancer  cAUG a1551930 v1463 a

ATAD2 has received attention as one of the potential oncogene with tumor-promoting aspects in many malignancies. ATAD2 is a highly conserved bromodomain family protein that exerts its biological functions by mainly AAA ATPase and bromodomain. Several small molecule inhibitors have been described in the literature. AZ13824374 (1) recently reported by Holt and co-workers showed promising in vitro (bio-chemical, cellular) and antiproliferative activity in range of breast cancer models. In this work, we described scalable synthetic route for triazolopyridazine derivative (2), a key intermediate of AZ13824374 (1) without using CO in the process. Triazolopyridazine helps to attain the bioactive conformation for AZ13824374 (1) through its crucial interaction with Tyr 1021 of ATAD2. Additionally, triazolopyridazine is extensively used as an intermediate for anticancer agents. This encouraged us to develop cost-effective and scalable process for it.

10aAlternative process10aAnticancer10aTriazolopyridazine1 aKarche, Ranjit, S.1 aBankar, Shubham, R.1 aJadhav, Vrushali, H. uhttps://library.ncl.res.in/content/alternative-synthetic-route-pharmacophore-anticancer-agent-triazolopyridazine-derivative03376nas a2200337 4500008004100000022001400041245023000055210006900285260000800354490000700362520209900369653000702468653002602475653001402501653002702515653001802542653003002560653003002590653003402620653003402654100003002688700002002718700003302738700001802771700002702789700002002816700001802836700003602854700002402890856012402914 2024 eng d a1613-681000aAluminium, nitrogen-dual-doped reduced graphene oxide Co-existing with cobalt-encapsulated graphitic carbon nanotube as an activity modulated electrocatalyst for oxygen electrocatalyst for oxygen electrochemistry applications0 aAluminium nitrogendualdoped reduced graphene oxide Coexisting wi cAUG0 v203 a

There is a rising need to create high-performing, affordable electrocatalysts in the new field of oxygen electrochemistry. Here, a cost-effective, activity-modulated electrocatalyst with the capacity to trigger both the oxygen reduction reaction (ORR) and the oxygen evolution reaction (OER) in an alkaline environment is presented. The catalyst (Al, Co/N-rGCNT) is made up of aluminium, nitrogen-dual-doped reduced graphene oxide sheets co-existing with cobalt-encapsulated carbon nanotube units. Based on X-ray Absorption Spectroscopy (XAS) studies, it is established that the superior reaction kinetics in Al, Co/N-rGCNT over their bulk counterparts can be attributed to their electronic regulation. The Al, Co/N-rGCNT performs as a versatile bifunctional electrocatalyst for zinc-air battery (ZAB), delivering an open circuit potential approximate to 1.35 V and peak power density of 106.3 mW cm-2, which are comparable to the system based on Pt/C. The Al, Co/N-rGCNT-based system showed a specific capacity of 737 mAh gZn-1 compared to 696 mAh gZn-1 delivered by the system based on Pt/C. The DFT calculations indicate that the adsorption of Co in the presence of Al doping in NGr improves the electronic properties favoring ORR. Thus, the Al, Co/N-rGCNT-based rechargeable ZAB (RZAB) emerges as a highly viable and affordable option for the development of RZAB for practical applications. This manuscript reports the development of a new bifunctional catalyst that exhibits high activity and stability under practical operating conditions. The catalyst (Al, Co/N-rGCNT) is made up of aluminium, nitrogen-dual-doped reduced graphene oxide sheets co-existing with the in situ formed cobalt-encapsulated CNT units is synthesized by a scalable pyrolysis method in an inert Ar atmosphere. The developed electrocatalyst achieved enhanced the oxygen reduction reaction (ORR) and the oxygen evolution reaction OER activity as a result of the favorable synergistic modulations and the system can serve as a process-friendly air-electrode for rechargeable zinc-air battery (RZAB). image

10aAl10aBifunctional catalyst10aDFT study10aencapsulated structure10aN-dual doping10aOxygen Evolution Reaction10aoxygen reduction reaction10arechargeable zinc-air battery10aX-ray absorption spectroscopy1 aKharabe, Geeta, Pandurang1 aBarik, Sidharth1 aVeeranmaril, Sudheesh, Kumar1 aNair, Aathira1 aIllathvalappil, Rajith1 aYoyakki, Athira1 aJoshi, Kavita1 aVinod, Chathakudath, Prabhakara1 aKurungot, Sreekumar uhttps://library.ncl.res.in/content/aluminium-nitrogen-dual-doped-reduced-graphene-oxide-co-existing-cobalt-encapsulated02596nas a2200253 4500008004100000022001400041245011300055210006900168260000800237490000600245520168400251653002101935653003001956653002601986653002402012653001802036100002402054700002702078700002202105700002602127700003002153700002702183856013202210 2024 eng d a2367-093200aAniline and indoline donors based far-red active unsymmetrical squaraine dyes for dye sensitized solar cells0 aAniline and indoline donors based farred active unsymmetrical sq cFEB0 v83 a

In dye-sensitized solar cells (DSSC), controlling the dye-aggregation on the metal-oxide surface by appending the alkyl groups around the donor or pi-spacer unit of the dye is a potential approach to enhance DSSC efficiency. Further, rigidification of the dye structures by cyclization modulates the photophysical properties of the sensitizer. Here a series of donor-acceptor-donor (D-A-D) type far-red active unsymmetrical squaraine dyes (SQA) have been designed and synthesized, where N,N-dimethylaniline, methylated- and branched-indoline have been used as donor units. These dyes showed absorption between 629-654 nm (lambda max) with the molar extinction coefficient of 1.49-1.94x105 M-1 cm-1. Systematic enhancements in DSSC device efficiency have been observed due to the cyclization and alkyl-groups incorporation in this set of dyes which were further enhanced with the addition of chenodeoxycholic acid (CDCA). The highest DSSC device efficiency of 4.78 % (Jsc of 8.77 mA/cm2 and Voc of 692 mV) has been achieved for SQA3. The IPCE profile of SQA dyes indicates the contribution of aggregated structures for the photocurrent generation. Further, co-sensitization of SQA3 dye with a complementary visible light active dye AK4 showed the enhanced device efficiency of 6.27 % with panchromatic IPCE response. Dye rigidification, and controlled aggregation of dyes on TiO2 by means of cyclization of donor unit and introducing the alkyl groups in the dye structure synergistically improve the dye-sensitized solar cell (DSSC) device performance. Donor-Acceptor-Donor (D-A-D) based unsymmetrical squaraine dye SQA3 showed the DSSC device performance of 4.78 %.image

10aco-sensitization10adye-sensitized solar cell10aeffect of alkyl chain10amolecular planarity10asquaraine dye1 aJadhav, Avinash, P.1 aSingh, Ambarish, Kumar1 aMaibam, Ashakiran1 aKrishnamurty, Sailaja1 aKrishnamoorthy, Kothandam1 aNithyanandhan, Jayaraj uhttps://library.ncl.res.in/content/aniline-and-indoline-donors-based-far-red-active-unsymmetrical-squaraine-dyes-dye-sensitized02748nas a2200397 4500008004100000022001400041245010400055210006900159260000800228300001600236490000800252520154400260653001601804653001301820653001501833653001301848653001101861100002001872700001601892700001701908700001701925700001701942700002501959700001601984700001802000700001902018700002102037700003202058700002102090700001802111700001602129700002502145700003202170700001902202856012902221 2024 eng d a0027-842400aarchitecturally rational hemostat for rapid stopping of massive bleeding on anticoagulation therapy0 aarchitecturally rational hemostat for rapid stopping of massive  cJAN ae23161701210 v1213 a

Hemostatic devices are critical for managing emergent severe bleeding. With the increased use of anticoagulant therapy, there is a need for next- generation hemostats. We rationalized that a hemostat with an architecture designed to increase contact with blood, and engineered from a material that activates a distinct and undrugged coagulation pathway can address the emerging need. Inspired by lung alveolar architecture, here, we describe the engineering of a next- generation single - phase chitosan hemostat with a tortuous spherical microporous design that enables rapid blood absorption and concentrated platelets and fibrin microthrombi in localized regions, a phenomenon less observed with other classical hemostats without structural optimization. The interaction between blood components and the porous hemostat was further amplified based on the charged surface of chitosan. Contrary to the dogma that chitosan does not directly affect physiological clotting mechanism, the hemostat induced coagulation via a direct activation of platelet Toll - like receptor 2. Our engineered porous hemostat effectively stopped the bleeding from murine liver wounds, swine liver and carotid artery injuries, and the human radial artery puncture site within a few minutes with significantly reduced blood loss, even under the anticoagulant treatment. The integration of engineering design principles with an understanding of the molecular mechanisms can lead to hemostats with improved functions to address emerging medical needs.

10abiomaterial10aclotting10ahemostasis10ahemostat10atrauma1 aLee, Vivian, K.1 aLee, Taewoo1 aGhosh, Amrit1 aSaha, Tanmoy1 aBais, Manish1 aBharani, Kala, Kumar1 aChag, Milan1 aParikh, Keyur1 aBhatt, Parloop1 aNamgung, Bumseok1 aVenkataramanan, Geethapriya1 aAgrawal, Animesh1 aSonaje, Kiran1 aMavely, Leo1 aSengupta, Shiladitya1 aMashelkar, Raghunath, Anant1 aJang, Hae, Lin uhttps://library.ncl.res.in/content/architecturally-rational-hemostat-rapid-stopping-massive-bleeding-anticoagulation-therapy02343nas a2200217 4500008004100000022001400041245012900055210006900184260000800253520157400261653001001835653001101845653001001856653002001866653002401886653002301910100002001933700002201953700002001975856013001995 2024 eng d a1568-776700aAroma Alchemy: uridine diphosphate-dependent glycosyltransferases mediated regulation of fruit aroma and flavor biosynthesis0 aAroma Alchemy uridine diphosphatedependent glycosyltransferases  cDEC3 a

The aroma compounds contribute to fruits flavor, taste, and nutritional value. These compounds include various chemical classes such as terpenoids, lactones, ketones, esters, acids, alcohols, and their derivatives. Uridine diphosphate-dependent glycosyltransferases (UGTs) modify these compounds by covalently adding one or multiple sugar molecules. This glycosylation process converts volatile, unstable, and hydrophobic aroma compounds into hydrophilic, stable, and slow-releasing reservoirs of fruit flavor. The diversity and spatio-temporal expression patterns of UGTs play a crucial role in forming a wide range of glycosylated aroma compounds. This review focuses on aroma-related compounds in both free and glycosylated-bound forms found in commercial vital fruits. We discuss various fruit-specific UGTs and their role in the glycosylation of aroma compounds. Based on structural and functional information on UGTs, we have assessed sugar donor specificity and the residues responsible for the same. Moreover, phylogenetic analysis of characterized UGTs provides insights into their substrate preferences. We also surveyed the expression dynamics of UGTs during fruit ripening, as the switching between aglycon and glycosylated-bound forms of aroma compounds significantly impacts fruit quality. Potential applications of UGTs in the food and fragrance industry have been discussed. The information reviewed could be beneficial for developing novel methods for flavor manipulation of commercially important glycosides derived from natural resources.

10aAroma10aFlavor10aFruit10aGlycoconjugates10aGlycosyltransferase10aVolatile compounds1 aVare, Tejas, B.1 aJoshi, Rakesh, S.1 aGiri, Ashok, P. uhttps://library.ncl.res.in/content/aroma-alchemy-uridine-diphosphate-dependent-glycosyltransferases-mediated-regulation-fruit01182nas a2200169 4500008004100000245014600041210006900187260000900256490000700265520050900272100002400781700002000805700001800825700002000843700002200863856012700885 2024 eng d00aArticle chitinase inhibition induces transcriptional dysregulation altering ecdysteroid-mediated control of spodoptera frugiperda development0 aArticle chitinase inhibition induces transcriptional dysregulati cMAR 0 v273 a

Chitinases and ecdysteroid hormones are vital for insect development. Crosstalk between chitin and ecdysteroid metabolism regulation is enigmatic. Here, we examined chitinase inhibition effect on Spodopsilencing and overexpression resulted in ecdysone receptor deregulation. Transcription factors, like Neverland, and other ecdysteroid biosynthesis genes might lead to their upregulation in berberine-fed chitinase activity's impact on ecdysone biosynthesis and its transcriptional crosstalk.

1 aBarbole, Ranjit, S.1 aSharma, Shivani1 aPatil, Yogita1 aGiri, Ashok, P.1 aJoshi, Rakesh, S. uhttps://library.ncl.res.in/content/article-chitinase-inhibition-induces-transcriptional-dysregulation-altering-ecdysteroid00915nas a2200253 4500008004100000022001400041245012200055210006900177260000900246300001400255490000700269653001700276653003100293653002900324100002500353700001700378700001800395700002300413700002300436700002200459700003200481700001800513856013000531 2024 eng d a2168-048500aAtmospheric-pressure continuous-flow methane oxidation to methanol and acetic acid using H2O2 over the Au-Fe catalyst0 aAtmosphericpressure continuousflow methane oxidation to methanol cMAY  a8958-89670 v1210aCO oxidation10aHIGHLY SELECTIVE OXIDATION10ametal-organic frameworks1 aJagtap, Anuradha, V.1 aKumar, Pawan1 aGupta, Sharad1 aNagendra, Abharana1 aJha, Shambhu, Nath1 aBhattacharyya, D.1 aAjithkumar, Thalasseril, G.1 aVinod, C., P. uhttps://library.ncl.res.in/content/atmospheric-pressure-continuous-flow-methane-oxidation-methanol-and-acetic-acid-using-h2o202268nas a2200193 4500008004100000022001400041245011900055210006900174260000800243490000800251520156300259653002801822653001901850653001901869653001601888100001901904700002301923856012801946 2024 eng d a0006-352500aBacterial nanocellulose: a versatile biopolymer production using a cost-effective wooden disc based rotary reactor0 aBacterial nanocellulose a versatile biopolymer production using  cJUL0 v1153 a

Bacterial nanocellulose (BNC) has various unique qualities, including high mechanical strength, crystallinity, and high water-holding capacity, which makes it appropriate for a wide range of industrial applications. But its lower yield coupled with its high production cost creates a barrier to its usage. In this study, we have demonstrated the better yield of BNC from an indigenous strain Komagataeibacter rhaeticus MCC-0157 using a rotary disc bioreactor (RDB) having a wooden disc. The RDB was optimized based on the type of disc material, distance between the disc, and rotation speed to get the highest yield of 13.0 g/L dry material using Hestrin-Schramm (H-S) medium. Further, the bioreactor was compared for the BNC production using reported medium, which is used for static condition; the RDB showed up to fivefold increase in comparison with the static condition reported. Komagataeibacter rhaeticus MCC-0157 was previously reported to be one of the highest BNC producing stains, with 8.37 g/L of dry yield in static condition in 15 days incubation. The designed RDB demonstrated 13.0 g/L dry yield of BNC in just 5 days. Other characteristics of BNC remain same as compared with static BNC production, although the difference in the crystallinity index was observed in RDB (84.44%) in comparison with static (89.74%). For the first time, wooden disc was used for rotary bioreactor approach, which demonstrated higher yield of BNC in lesser time and can be further used for sustainable production of BNC at the industrial level. image

10abacterial nanocellulose10arotary reactor10aSustainability10awooden disc1 aJagtap, Ashish1 aDastager, Syed, G. uhttps://library.ncl.res.in/content/bacterial-nanocellulose-versatile-biopolymer-production-using-cost-effective-wooden-disc01085nas a2200349 4500008004100000245009600041210006900137260000900206490000700215653001200222653002300234653001200257653002400269653001600293100001700309700001600326700002700342700002000369700002200389700001800411700001800429700001700447700001900464700001700483700001900500700002200519700001800541700002000559700001900579700001800598856011900616 2024 eng d00aBiocatalysis enables the scalable conversion of biobased furans into various furfurylamines0 aBiocatalysis enables the scalable conversion of biobased furans  cJUL 0 v1510aBiomass10aOMEGA-TRANSAMINASE10aOXIDASE10aReductive amination10aSPECIFICITY1 aGiri, Pritam1 aLim, Seonga1 aKhobragade, Taresh, P.1 aPagar, Amol, D.1 aPatil, Mahesh, D.1 aSarak, Sharad1 aJeon, Hyunwoo1 aJoo, Sangwoo1 aGoh, Younghwan1 aJung, Seohee1 aJang, Yu-Jeong1 aChoi, Seung, Beom1 aKim, Ye, Chan1 aKang, Taek, Jin1 aHeo, Yong-Seok1 aYun, Hyungdon uhttps://library.ncl.res.in/content/biocatalysis-enables-scalable-conversion-biobased-furans-various-furfurylamines02427nas a2200277 4500008004100000022001400041245012800055210007000183260000900253490000700262520147600269653003801745653001001783653001801793653001701811653000901828100002201837700001801859700003001877700002401907700002001931700002001951700001801971700003001989856013002019 2024 eng d a0947-653900aBoron- and oxygen-doped π-extended helical nanographene with circularly polarised thermally activated delayed fluorescence0 aBoron and oxygendoped πextended helical nanographene with circul cAPR 0 v303 a

Helical nanographenes have garnered substantial attention owing to their finely adjustable optical and semiconducting properties. The strategic integration of both helicity and heteroatoms into the nanographene structure, facilitated by a boron-oxygen-based multiple resonance (MR) thermally activated delayed fluorescence (TADF), elevates its photophysical and chiroptical features. This signifies the introduction of an elegant category of helical nanographene that combines optical (TADF) and chiroptical (CPL) features. In this direction, we report the synthesis, optical, and chiroptical properties of boron, oxygen-doped pi-extended helical nanographene. The pi-extension induces distortion in the DOBNA-incorporated nanographene, endowing a pair of helicenes, (P)-B2NG, and (M)-B2NG exhibiting circularly polarized luminescence with glum of -2.3x10-3 and +2.5x10-3, respectively. B2NG exhibited MR-TADF with a lifetime below 5 mu s, and a reasonably high fluorescence quantum yield (50 %). Our molecular design enriches the optical and chiroptical properties of nanographenes and opens up new opportunities in multidisciplinary fields. B, O-doped pi-extended helical nanographene has been explored for its optical and chiroptical properties. The presence of helical and nanographene segments stabilize the helicity and imparts tunable optical properties. Helical nanographene display circularly polarized thermally activated delayed fluorescence. image

10acircularly polarized luminescence10aDOBNA10adual emission10ananographene10aTADF1 aVenugopal, Geethu1 aKumar, Viksit1 aJadhav, Ashok, Badrinaray1 aDongre, Sangram, D.1 aKhan, Abujunaid1 aGonnade, Rajesh1 aKumar, Jatish1 aBabu, Sukumaran, Santhosh uhttps://library.ncl.res.in/content/boron-and-oxygen-doped-%CF%80-extended-helical-nanographene-circularly-polarised-thermally04129nas a2200169 4500008004100000245013600041210006900177260000800246300001200254490000700266520348100273100001703754700001903771700001703790700002503807856012703832 2024 eng d00aCalcination temperature impacting the structure and activity of CuAl catalyst in aqueous glycerol hydrogenolysis to 1,2-propanediol0 aCalcination temperature impacting the structure and activity of  cNOV a318-3310 v683 a

This study investigated the impact of calcination temperature on the structural properties of CuAl catalyst which was found to be a robust nano-structured catalyst calcined directly without ramping at 400 °C and performed exceedingly well for aqueous phase hydrogenolysis of glycerol. Various samples of CuAl catalysts were prepared by co-precipitation at Cu: Al molar ratio 1:1 and were calcined at different temperatures (300–1000 °C). The obtained catalysts were reduced at 200 °C before their activity testing for glycerol hydrogenolysis reaction. To correlate the structure-activity, the catalysts were thoroughly characterized by XRD, XPS, BET, TEM, H2-TPR, NH3-TPD, and pyridine FTIR. It was observed that with an increase in calcination temperature from 300 to 700 °C, the glycerol conversion also increased from 47 to 55% with 93% selectivity to 1,2-PDO. The better performance of these catalysts was mainly related to the predominant presence of Brønsted acid sites, an appropriate ratio of the Cu0 to CuAl2O4 + CuO (0.33) and CuAl2O4 to CuO phases (0.35), the existence of Cu2O phase and the smaller Cu0 particle size. It was shown that altering the ramping rate for the calcination temperature of 400 °C impacted the catalytic activity. The CuAl-400 (DC) (direct calcined) catalyst exhibited a maximum glycerol conversion of 60%.

1 aMane, Rasika1 aPotdar, Aparna1 aJeon, Yukwon1 aRode, Chandrashekhar uhttps://library.ncl.res.in/content/calcination-temperature-impacting-structure-and-activity-cual-catalyst-aqueous-glycerol02477nas a2200301 4500008004100000022001400041245012900055210006900184260000800253300001100261490000800272520146800280653002901748653001301777653001801790653001601808653001401824653001401838653002301852100002201875700002301897700002601920700002301946700002501969700002601994700002802020856012702048 2024 eng d a0014-305700aCatechol- and phenolic hydroxyl-functionalized partially bio-based (Co) poly(ether sulfone)s with multifarious applicability0 aCatechol and phenolic hydroxylfunctionalized partially biobased  cNOV a1134840 v2203 a

A largely bio-based new bisphenol, namely, 4,4 `-((3,4-dimethoxyphenyl)methylene)-bis(2-methoxyphenol) (DMBM) was synthesized by the reaction of veratraldehyde with guaiacol. DMBM and varying compositions of DMBM and bisphenol A were polycondensed with bis(4-fluorophenyl) sulfone to afford reasonably high molecular weight film-forming (co)poly(ether sulfone)s possessing built-in methoxyl groups. T10 and Tg values of (co)poly(ether sulfone)s were in the range 382-478 degrees C and 171-187 degrees C, respectively indicating their good thermal stability and the values decreased with increase in mol % incorporation of DMBM. The methoxyl groups present in (co)poly (ether sulfone)s were quantitatively de-blocked resulting in the formation of corresponding polymers possessing pendant catechol moieties and free phenolic hydroxyl groups. By virtue of the presence of these functional moieties, (co)poly(ether sulfone)s are amenable for post-polymerization modifications, and exhibited properties such as antimicrobial (23 mm against Staphylococcus aureus and 18 mm against Escherichia coli)), antioxidant (72 % scavenger of free radicals), adhesive (2.24 MPa lap shear strength) and usefulness as redox-active agent in zinc-ion batteries. These data underscore the promise of DMBM as a versatile monomer of wider utility for the synthesis of functional (co)poly(ether sulfone)s capable of expanding their applicability beyond the conventional ones.

10a(Co)poly(ether sulfone)s10aadhesive10aAntimicrobial10aAntioxidant10abio-based10abisphenol10aZinc-ion batteries1 aWale, Apparav, K.1 aJagtap, Ashish, S.1 aPandey, Priyanshi, R.1 aDastager, Syed, G.1 aShelke, Manjusha, V.1 aAmbade, Ashootosh, V.1 aWadgaonkar, Prakash, P. uhttps://library.ncl.res.in/content/catechol-and-phenolic-hydroxyl-functionalized-partially-bio-based-co-polyether-sulfones02483nas a2200133 4500008004100000245012900041210006900170260000800239520190900247100001802156700002002174700002702194856012802221 2024 eng d00aChitosan nanoparticles for single and combinatorial delivery of 5-fluorouracil and ursolic acid for hepatocellular carcinoma0 aChitosan nanoparticles for single and combinatorial delivery of  cOCT3 a

Hepatocellular carcinoma (HCC) remains a significant global health challenge with limited therapeutic options. Chemotherapy has major limitations, leading to a paradigm shift towards nanomedicines. In this study, we aimed to synthesize single and dual drug-loaded chitosan nanoparticles (CSNPs) containing 5-fluorouracil (5-FU) and ursolic acid (UA) for spatial and controlled delivery against HCC. We synthesized CSNPs by a modified bottom-up ionic gelation method and optimized various parameters to formulate particles with smaller sizes, uniform size distribution, and high surface charge for intra-arterial infusion for HCC. The characterization techniques confirmed a monodisperse population of smaller sized particles with average sizes, as determined from transmission electron microscopy (TEM), as 45.25 ± 11.58, 105.66 ± 10.96, 176 ± 16.46, and 220 ± 21.37 nm for CSNPs, 5-FU-CSNPs, UA-CSNPs and 5FU + UA-CSNPs respectively. These formulations exhibited excellent encapsulation of the drugs, with an initial pH-dependent rapid release of 5-FU followed by a subsequent slower and sustained release, while showing pH-dependent slow and controlled release of UA. The in vitro cell viability assay established the highest anticancer potential for 5FU + UA-CSNPs, followed by 5-FU-CSNPs and UA-CSNPs, and the lowest for plain drugs in the Hep3B cell line. An increased uptake of both the drugs in CSNPs substantiated the supremacy of these formulations over the plain drugs as drug delivery agents. These findings suggest that 5FU + UA-CSNPs, a novel formulation, works as a potent therapeutic agent against HCC, supporting our hypothesis of co-loading 5-FU and UA in CSNPs can effectively manage HCC, with particle attributes fit for administration via intra-arterial infusion.

1 aJaiswal, Neha1 aPawar, Anil, T.1 aChaudhari, Bhushan, P. uhttps://library.ncl.res.in/content/chitosan-nanoparticles-single-and-combinatorial-delivery-5-fluorouracil-and-ursolic-acid01253nas a2200361 4500008004100000022001400041245014600055210006900201260000800270300001400278490000700292653002300299653001800322653001400340653001500354653003000369100001800399700004000417700002000457700001700477700002600494700002300520700002200543700002100565700002400586700002600610700003200636700002300668700001900691700003100710700002700741856012300768 2024 eng d a0939-475300aCirculatory levels of lysophosphatidylcholine species in obese adolescents: Findings from cross-sectional and prospective lipidomics analyses0 aCirculatory levels of lysophosphatidylcholine species in obese a cJUL a1807-18160 v3410aAdolescent obesity10aAsian Indians10abiomarker10aLipidomics10aLysophosphatidyl- choline1 aSharma, Sapna1 aSubrahmanyam, Yalamanchili, Venkata1 aRanjani, Harish1 aSidra, Sidra1 aParmar, Dharmeshkumar1 aVadivel, Sangeetha1 aKannan, Shanthini1 aGrallert, Harald1 aUsharani, Dandamudi1 aAnjana, Ranjit, Mohan1 aBalasubramanyam, Muthuswamy1 aMohan, Viswanathan1 aJerzy, Adamski1 aPanchagnula, Venkateswarlu1 aGokulakrishnan, Kuppan uhttps://library.ncl.res.in/content/circulatory-levels-lysophosphatidylcholine-species-obese-adolescents-findings-cross00617nas a2200169 4500008004100000022001400041245007800055210006900133260000800202300001600210490000600226653002400232653003800256100002200294700002400316856010700340 2024 eng d a2470-134300aConformational enigma of TDP-43 misfolding in neurodegenerative disorders0 aConformational enigma of TDP43 misfolding in neurodegenerative d cSEP a40286-402970 v910aDNA-BINDING PROTEIN10aFRONTOTEMPORAL LOBAR DEGENERATION1 aPillai, Meenakshi1 aJha, Santosh, Kumar uhttps://library.ncl.res.in/content/conformational-enigma-tdp-43-misfolding-neurodegenerative-disorders01794nas a2200181 4500008004100000022001400041245009300055210006900148260000800217300001400225490000700239520114800246100002601394700003101420700001801451700002301469856012001492 2024 eng d a0888-588500aContinuous flow synthesis of mesoporous silica particles with tunable size and structure0 aContinuous flow synthesis of mesoporous silica particles with tu cJAN a1843-18520 v633 a

We have developed a continuous process to prepare mesoporous silica particles of different sizes and narrow size distribution in a tubular reactor. The method is based on the use of well-known Stober synthesis in the presence of cationic surfactant in methanol-water solvent system and trimethylbenzene as pore swelling agent to form porous silica particles. We observed that reaction parameters had enormous effects on particle size, distribution, and numerous morphological aspects. We demonstrated that these properties may be modified by adjusting the reaction temperature, base concentration, and surfactant concentration. MSPs of spherical morphology with variable size from 400 to 1000 nm produced with the surface area >600 m(2)/g and pore diameter of 2-4 nm. Large scale production is demonstrated by increasing reactor volume using 1/4 in. PTFE tubing from 20 to 163 mL, with this production of MSPs increased from 0.35 to 3 g/h. The method has been extended for high yield production at the kilogram scale using this approach, which will pave the way toward the industrialization of mesoporous silica based materials.

1 aJundale, Rajashri, B.1 aPrasad, Bhagavatula, L. V.1 aDevi, Nandini1 aKulkarni, Amol, A. uhttps://library.ncl.res.in/content/continuous-flow-synthesis-mesoporous-silica-particles-tunable-size-and-structure01465nas a2200217 4500008004100000022001400041245011800055210006900173260000900242300001200251490000700263520069100270653002600961653002600987653001601013100002201029700002301051700002501074700002101099856012701120 2024 eng d a1477-052000aCopper-mediated [3+2] oxidative cyclization of oxime acetate and its utility in the formal synthesis of fentiazac0 aCoppermediated 32 oxidative cyclization of oxime acetate and its cJAN  a521-5280 v223 a

A new protocol for the direct synthesis of 2-aminothiazole has been developed from oxime acetate and readily available sodium thiocyanate using a copper catalyst. The present transformation has good functional group tolerance. Various thiazoles were smoothly synthesized in good to excellent yields. The applicability of the present method has been extended to the formal synthesis of the non-steroidal and anti-inflammatory drug, fentiazac via the Sandmeyer reaction and Suzuki coupling. The direct synthesis of 2-aminothiazole has been developed from oxime acetate using a copper catalyst. The applicability of the present method is used in the formal synthesis of fentiazac.

10aBiological evaluation10aC-H functionalization10aVinylazides1 aJadhao, Nitin, L.1 aMusale, Harish, B.1 aGajbhiye, Jayant, M.1 aHumne, Vivek, T. uhttps://library.ncl.res.in/content/copper-mediated-32-oxidative-cyclization-oxime-acetate-and-its-utility-formal-synthesis02394nas a2200241 4500008004100000022001400041245012500055210006900180260000800249490000900257520156100266653002801827653002101855653001601876653001501892653002001907100001701927700002101944700001901965700002501984700001902009856012402028 2024 eng d a0022-328X00aCuNPs@Al2O3-cellulose composite for the ligand-free Suzuki cross-coupling reactions in batch and continuous flow process0 aCuNPsAl2O3cellulose composite for the ligandfree Suzuki crosscou cJAN0 v10043 a

In the present work, we synthesized recyclable CuNPs@Al2O3-CELL composite from an inexpensive and commercially available synthetic reagent by a simple method. The catalyst was characterized by various techniques such as TGA (Thermogravimetric analysis), SEM (Scanning electron microscope), TEM (Transmission electron microscopy), XPS (X-ray photoelectron spectroscopy), EDS (Energy dispersive spectroscopy), and AAS (Atomic Absorption Spectroscopy). The composite was applied for the Suzuki coupling reactions in the batch and flow process. The aryl halides were easily coupled with arylboronic acids in 95 % ethanol at 78 C. We systematically investigated the role of reaction temperature, solvent, and catalyst loading, on the transient and steady-state behavior of the flow reactor through an automated flow chemistry platform. The CuNPs@Al2O3CELL catalytic particles demonstrate minimal deactivation and leaching over a continuous Suzuki coupling reaction at a 20 min nominal residence time at 100 C. Moreover, the catalyst can be recovered by simple filtration and reused at least five times with a moderate decrease in product yield. The excellent activity and stability of the catalyst have been attributed to the strong chelation of the Cu species with hydroxyl functional groups of the Al2O3-CELL composite. The catalytic system was highly efficient in Suzuki coupling of various aryl bromides with different aryl boronic acids, yielding good to excellent product yields (80-96 %) with a TON of 15.914-19.066 and TOF of 2.649-9.533 h(-1).

10aContinuous flow process10aCuNPs@Al2O3-CELL10aligand-free10arecyclable10aSuzuki coupling1 aPatil, Seema1 aRajmane, Archana1 aJadhav, Sanjay1 aRode, Chandrashekhar1 aKumbhar, Arjun uhttps://library.ncl.res.in/content/cunpsal2o3-cellulose-composite-ligand-free-suzuki-cross-coupling-reactions-batch-and02486nas a2200277 4500008004100000022001400041245017700055210006900232260000900301300001400310490000700324520149400331653001201825653001301837653001801850653002201868653003301890653002501923100001901948700002001967700002301987700001502010700002602025700002502051856013202076 2024 eng d a0739-110200aDe novo structure prediction of meteorin and meteorin-like protein for identification of domains, functional receptor binding regions, and their high-risk missense variants0 aDe novo structure prediction of meteorin and meteorinlike protei cJUN  a4522-45360 v423 a

Meteorin (Metrn) and Meteorin-like (Metrnl) are homologous secreted proteins involved in neural development and metabolic regulation. In this study, we have performed de novo structure prediction and analysis of both Metrn and Metrnl using Alphafold2 (AF2) and RoseTTAfold (RF). Based on the domain and structural homology analysis of the predicted structures, we have identified that these proteins are composed of two functional domains, a CUB domain and an NTR domain, connected by a hinge/loop region. We have identified the receptor binding regions of Metrn and Metrnl using the machine-learning tools ScanNet and Masif. These were further validated by docking Metrnl with its reported KIT receptor, thus establishing the role of each domain in the receptor interaction. Also, we have studied the effect of non-synonymous SNPs on the structure and function of these proteins using an array of bioinformatics tools and selected 16 missense variants in Metrn and 10 in Metrnl that can affect the protein stability. This is the first study to comprehensively characterize the functional domains of Metrn and Metrnl at their structural level and identify the functional domains, and protein binding regions. This study also highlights the interaction mechanism of the KIT receptor and Metrnl. The predicted deleterious SNPs will allow further understanding of the role of these variants in modulating the plasma levels of these proteins in disease conditions such as diabetes.

10adomains10aMeteorin10ameteorin-like10amissense variants10aprotein-protein interactions10astructure prediction1 aShankar, Shiva1 aBanarjee, Reema1 aJathar, Swaraj, M.1 aRajesh, S.1 aRamasamy, Sureshkumar1 aKulkarni, Mahesh, J. uhttps://library.ncl.res.in/content/de-novo-structure-prediction-meteorin-and-meteorin-protein-identification-domains-functional02962nas a2200277 4500008004100000022001400041245013400055210006900189260000800258300001400266490000700280520195400287653002502241653002702266653002802293653003202321653002502353653003002378653003602408653002302444100002302467700002402490700002402514700001502538856013102553 2024 eng d a1948-719300aDeciphering the monomeric and dimeric conformational landscapes of the full-length TDP-43 and the impact of the C-terminal domain0 aDeciphering the monomeric and dimeric conformational landscapes  cNOV a4305-43210 v153 a

The aberrant aggregation of TAR DNA-binding protein 43 kDa (TDP-43) in cells leads to the pathogenesis of multiple fatal neurodegenerative diseases. Decoding the proposed initial transition between its functional dimeric and aggregation-prone monomeric states can potentially design a viable therapeutic strategy, which is presently limited by the lack of structural detail of the full-length TDP-43. To achieve a complete understanding of such a delicate phase space, we employed a multiscale simulation approach that unearths numerous crucial features, broadly summarized in two categories: (1) state-independent features that involve inherent chain collapsibility, rugged polymorphic landscape dictated by the terminal domains, high beta-sheet propensity, structural integrity preserved by backbone-based intrachain hydrogen bonds and electrostatic forces, the prominence of the C-terminal domain in the intrachain cross-domain interfaces, and equal participation of hydrophobic and hydrophilic (charged and polar) residues in cross-domain interfaces; and (2) dimerization-modulated characteristics that encompass slower collapsing dynamics, restricted polymorphic landscape, the dominance of side chains in interchain hydrogen bonds, the appearance of the N-terminal domain in the dimer interface, and the prominence of hydrophilic (specifically polar) residues in interchain homo- and cross-domain interfaces. In our work, the ill-known C-terminal domain appears as the most crucial structure-dictating domain, which preferably populates a compact conformation with a high beta-sheet propensity in its isolated state stabilized by intrabackbone hydrogen bonds, and these signatures are comparatively faded in its integrated form. Validation of our simulated observables by a complementary spectroscopic approach on multiple counts ensures the robustness of the computationally predicted features of the TDP-43 aggregation landscape.

10achain collapsibility10adomain-wisefluctuation10aelectrostatic dominance10ahydrogen bond switchability10along-range crosstalk10apersistent beta-character10aprotagonistic C-terminal domain10arugged phase space1 aTammara, Vaishnavi1 aDoke, Abhilasha, A.1 aJha, Santosh, Kumar1 aDas, Atanu uhttps://library.ncl.res.in/content/deciphering-monomeric-and-dimeric-conformational-landscapes-full-length-tdp-43-and-impact-c02488nas a2200277 4500008004100000022001400041245010000055210006900155260000800224520154900232653001701781653000801798653003001806653002701836653001701863100002401880700001901904700002101923700002101944700002801965700002201993700002502015700001702040700002402057856012902081 2024 eng d a1060-132500aDesigning of imine thiophene-ligated metal-complexes and implication in ethylene polymerization0 aDesigning of imine thiopheneligated metalcomplexes and implicati cSEP3 a

Polyethylene is the single largest volume polymer produced globally using Ziegler-type catalysts. Numerous modifications have been reported in search of a better catalyst that can control molecular weight, polydispersity, and branching. In our attempts to identify a suitable imine thiophene-ligated chromium complex, we examined 9 different titanium complexes computationally. The DFT investigations considered barriers for insertion, propagation, and termination by beta-H elimination or chain transfer, and identified N-(4-methoxyphenyl)-2-phenyl-1-(thiophen-2-yl)ethan-1-imine(L9) as the most suitable ligand. Subsequently, L9 was prepared in good yield (70%) by condensing 2-phenyl-1-(thiophen-2-yl)ethan-1-one with 4-methoxyaniline. Ligand L9 was treated with early transition metal precursors (Ti, Cr, Zr) to generate a homogenous catalyst. The identity of these catalysts was unambiguously ascertained using a combination of NMR, ICP, FT-IR, UV-Vis spectroscopy, and ESI-MS. The performance of L9-ligated titanium complex [Cat.1] was examined in ethylene polymerization using MMAO as a co-catalyst. Insertion of ethylene was tracked using high-pressure NMR experiments and Cat.1 was found to be active in the polymerization. Ethylene polymerization conditions were optimized to obtain high activity and molecular weight polyethylene. The chromium complex [Cat.2] outperformed the Ti and Zr-derived catalysts with the highest TOF of 6294 mol of PE/mol of Cr/h. Cat.2 produced high molecular weight, high-density polyethylene.

10aCr-complexes10aDFT10ahigh-density polyethylene10aImine thiophene ligand10aPolyethylene1 aShaikh, Maulali, H.1 aRamekar, Rohan1 aJawoor, Shailaja1 aDash, Soumya, R.1 aBirajadar, Rajkumar, S.1 aPawal, Sandip, B.1 aThenmani, Nandakumar1 aVanka, Kumar1 aChikkali, Samir, H. uhttps://library.ncl.res.in/content/designing-imine-thiophene-ligated-metal-complexes-and-implication-ethylene-polymerization02100nas a2200229 4500008004100000022001400041245016900055210006900224260000800293300001200301490000700313520127500320100001801595700001901613700001501632700002301647700001701670700001601687700001701703700001801720856013201738 2024 eng d a0006-296000aDevelopment of an in silico platform (TRIPinRNA) for the identification of novel RNA intramolecular triple helices and their validation using biophysical techniques0 aDevelopment of an in silico platform TRIPinRNA for the identific cDEC a250-2650 v643 a

There are surprisingly few RNA intramolecular triple helices known in the human transcriptome. The structure has been most well-studied as a stability-element at the 3 ` end of lncRNAs such as MALAT1 and NEAT1, but the intrigue remains whether it is indeed as rare as it is understood to be or just waiting for a closer look from a new vantage point. TRIPinRNA, our Python-based in silico platform, allows for a comprehensive sequence-pattern search for potential triplex formation in the human transcriptome-noncoding as well as coding. Using this tool, we report the putative occurrence of homopyrimidine type (canonical) triple helices as well as heteropurine-pyrimidine strand type (noncanonical) triple helices in the human transcriptome and validate the formation of both types of triplexes using biophysical approaches. We find that the occurrence of triplex structures has a strong correlation with local GC content, which might be influencing their formation. By employing a search that encompasses both canonical and noncanonical triplex structures across the human transcriptome, this study enriches the understanding of RNA biology. Lastly, TRIPinRNA can be utilized in finding triplex structures for any organism with an annotated transcriptome.

1 aRakheja, Isha1 aBharti, Vishal1 aSahana, S.1 aDas, Prosad, Kumar1 aRanjan, Gyan1 aKumar, Ajit1 aJain, Niyati1 aMaiti, Souvik uhttps://library.ncl.res.in/content/development-silico-platform-tripinrna-identification-novel-rna-intramolecular-triple-helices02698nas a2200217 4500008004100000022001400041245017800055210006900233260000800302300001100310490000800321520186300329653002402192653002602216653002002242653001402262100002602276700002402302700002502326856012902351 2024 eng d a0961-953400aDirect oxidation of alcohols to carboxylic acids using simple and economical Pd@Glu-HTC catalyst: practical and scalable approach towards biomass based value added chemicals0 aDirect oxidation of alcohols to carboxylic acids using simple an cAUG a1072900 v1873 a

Sustainable catalytic transformation of bio-based alcohols to high value-added fine chemicals is an important topic of research. This work described preparation of simple and economical Pd@Glu-HTC catalyst from biomass derived low cost D-glucose. Hydrothermal carbonization of glucose was carried out in first step to synthesize GluHTC support in a simpler, greener, economical and efficient manner followed by incorporation of palladium metal on surface of the catalyst in second step. The catalyst was characterized using techniques such as Fourier Transform Infrared Spectroscopy (FT-IR), Solid-state Cross-Polarization Magic Angle Spinning Carbon-13 (13C CPMAS), Energy-dispersive X-ray spectroscopy (EDAX), Powder X-ray diffraction (P-XRD), X-ray photoelectron spectroscopy (XPS), Thermogravimetric/Differential Thermal Analyzer (TG-DTA), Field emission scanning electron microscopy (FE-SEM) and High-resolution transmission electron microscopy (HR-TEM). The catalyst was evaluated for direct oxidation of alcohols to yield carboxylic acids and exhibited very good catalytic activity for wider substrate scope. Oxidation of alcohols was carried out using milder base, molecular oxygen and water as a solvent to achieve 92-99 % excellent yields. The practical utility of current strategy was also studied for gram scale synthesis of bio-based value added industrially important chemicals such as furoic acid (flavouring agent and preservative in industry), 2, 5-furan-dicarboxylic acid (monomer to 100 % fossil-free, recyclable polymer polyethylene furanoate (PEF), tetrahydro-2-furoic acid (production of many drugs) and vanillin (important product of flavor and fragrance industry). Pd@Glu-HTC catalyst was found to be reusable for four recycles and the catalytic performance was retained without any loss in its activity after four cycles.

10aBio-based chemicals10aCarbonaceous catalyst10aCarboxylic acid10aOxidation1 aKirdant, Swapnali, P.1 aBankar, Shubham, R.1 aJadhav, Vrushali, H. uhttps://library.ncl.res.in/content/direct-oxidation-alcohols-carboxylic-acids-using-simple-and-economical-pdglu-htc-catalyst02380nas a2200265 4500008004100000022001400041245016600055210006900221260000900290300001400299490000700313520144700320653002801767653002501795653002901820653001301849653001401862653001101876100001701887700002201904700002201926700001601948700002401964856012601988 2024 eng d a1948-719300aDNA-mediated formation of phase-separated coacervates of the nucleic acid-binding domain of TAR DNA-binding protein (TDP-43) prevents its amyloid-like misfolding0 aDNAmediated formation of phaseseparated coacervates of the nucle cOCT  a4105-41220 v153 a

Sequestration of protein molecules and nucleic acids to stress granules is one of the most promising strategies that cells employ to protect themselves from stress. In vitro, studies suggest that the nucleic acid-binding domain of TDP-43 (TDP-43tRRM) undergoes amyloid-like aggregation to beta-sheet-rich structures in low pH stress. In contrast, we observed that the TDP-43tRRM undergoes complex coacervation in the presence of ssDNA to a dense and light phase, preventing its amyloid-like aggregation. The soluble light phase consists of monomeric native-like TDP-43tRRM. The microscopic data suggest that the dense phase consists of spherical coacervates with limited internal dynamics. We performed multiparametric analysis by employing various biophysical techniques and found that complex coacervation depends on the concentration and ratio of the participating biomolecules and is driven by multivalent interactions. The modulation of these forces due to environmental conditions or disease mutations regulates the extent of coacervation, and the weakening of interactions between TDP-43tRRM and ssDNA leads to amyloid-like aggregation of TDP-43tRRM. Our results highlight a competition among the native state, amyloid-like aggregates, and complex coacervates tuned by various environmental factors. Together, our results illuminate an alternate function of TDP-43tRRM in response to pH stress in the presence of the ssDNA.

10aamyloid-likeaggregation10acomplex coacervation10aDNA-protein interactions10aDynamics10apH stress10aTDP-431 aPatni, Divya1 aPatil, Anjali, D.1 aKirmire, Mona, S.1 aJha, Anjali1 aJha, Santosh, Kumar uhttps://library.ncl.res.in/content/dna-mediated-formation-phase-separated-coacervates-nucleic-acid-binding-domain-tar-dna01051nas a2200313 4500008004100000245011900041210006900160260000800229100001800237700001800255700002000273700002100293700001500314700001700329700001900346700002300365700002100388700001900409700002100428700002200449700001900471700001600490700001900506700001900525700002400544700002300568700001900591856012700610 2024 eng d00aEarly detection of KP.2 SARS-CoV-2 variant using wastewater-based genomic surveillance in Pune, Maharashtra, India0 aEarly detection of KP2 SARSCoV2 variant using wastewaterbased ge cJUL1 aRajput, Vinay1 aDas, Rashmita1 aPramanik, Rinka1 aNannaware, Kiran1 aSushma, Y.1 aTaji, Nyabom1 aRajput, Vishal1 aRajkhowa, Riyakshi1 aPacharne, Poonam1 aShah, Priyanki1 aGogate, Niharika1 aSangwar, Poornima1 aBhalerao, Asim1 aJain, Nidhi1 aKamble, Sanjay1 aDastager, Syed1 aShashidhara, L., S.1 aKaryakarte, Rajesh1 aDharne, Mahesh uhttps://library.ncl.res.in/content/early-detection-kp2-sars-cov-2-variant-using-wastewater-based-genomic-surveillance-pune03386nas a2200229 4500008004100000245014900041210006900190260000800259300001600267490000600283520252700289653001602816653002102832653001302853653001602866653003002882653003302912100002902945700002802974700003103002856012303033 2024 eng d00aEffect of transition metals (Mn, Co, Ni, and Zn) in size-controlled metal ferrite nanocrystals on the electrocatalytic oxygen evolution reaction0 aEffect of transition metals Mn Co Ni and Zn in sizecontrolled me cJUL a17776-177850 v73 a

Metal ferrite (MFO) M2+Fe2O4 (M2+ = Mn, Co, Ni, and Zn) nanocrystals (NCs) with a controlled size of similar to 4 nm were synthesized using stearic acid as the capping agent via a facile solvothermal method. The as-synthesized MnFe2O4 (MnFO), CoFe2O4 (CoFO), NiFe2O4 (NiFO), and ZnFe2O4 (ZnFO) NCs were characterized by XRD, FT-IR, Raman, XPS, TGA, TEM, and HRTEM analyses. The electrocatalytic oxygen evolution reaction (OER) is significant for future renewable energy to produce pure hydrogen (H-2) fuels through H2O splitting. However, because of the complex proton-coupled multielectron transfer process, it is kinetically quite challenging. Fe-containing transition metal-based electrocatalysts are well studied since it has been observed that Fe has a significant role in enhancing OER activity. It is well-known that the size and shape of the Fe/ferrite-based nanoelectrocatalyst play a vital role in electrocatalysis reactions. However, it is also critical to understand the effect of other earth-abundant and cost-effective transition metal ions (e.g., Mn, Co, Ni, and Zn) combined with Fe/ferrite NC-based OER electrocatalytic reactions while keeping the size of NCs constant and compare their electrocatalytic properties toward the development of advanced nanoelectrocatalysts, which is rarely studied to the best of the authors knowledge. Therefore, herein, the electrocatalytic properties for OER were examined by using the as-synthesized MnFO, CoFO, NiFO, and ZnFO NCs to understand the effect of metal ions (Mn, Co, Ni, and Zn) on the Fe-based nanoelectrocatalysts by keeping the size of the nanoelectrocatalysts constant at similar to 4 nm. Additionally, the influence of different substrates, e.g., carbon paper (CP) and nickel foam (NF), on the electrocatalytic activity of MFO (MnFO, CoFO, NiFO, and ZnFO) NCs was also compared. Interestingly, as an OER nanoelectrocatalyst, the CoFO NCs on the CP substrate show better electrochemical OER activity than other MFO NCs, with a Tafel slope value of 49.4 mV dec(-1), an ECSA of 112 cm(2), and a long-term stability of 24 h, which is comparatively higher than the other as-synthesized MFO NCs. On the other hand, MnFO NCs on the NF substrate show better electrochemical OER activity than the other as-synthesized MFO NCs. Therefore, this work highlights the effect of the substrate and the influence of transition metals, e.g., Mn, Co, Ni, and Zn, on size-controlled Fe-based nanoelectrocatalysts toward developing advanced OER electrocatalysts.

10aCarbonpaper10aelectrocatalysis10aFerrites10aNickel foam10aOxygen Evolution Reaction10aSize-controlled nanocrystals1 aJeyavani, Vijayakrishnan1 aManoj, Shanmugasundaram1 aMukherjee, Shatabdi, Porel uhttps://library.ncl.res.in/content/effect-transition-metals-mn-co-ni-and-zn-size-controlled-metal-ferrite-nanocrystals02332nas a2200313 4500008004100000022001400041245008900055210006900144260000800213300000800221490000700229520130700236653002101543653004501564653002001609653002601629100001701655700001701672700001901689700001801708700002101726700003001747700002601777700002801803700002401831700002601855700002301881856011401904 2024 eng d a1388-076400aAn effective, facile, and rapid synthesis of nanosized Mn3O4 using a microwave route0 aeffective facile and rapid synthesis of nanosized Mn3O4 using a  cOCT a2390 v263 a

Microwave-assisted one-pot, one-step, calcination-free synthesis of nanosized Mn3O4 is reported using only benzylamine and manganese acetate. Benzylamine in this protocol plays a vital role for efficient microwave synthesis. This microwave method enables the synthesis of nanosized Mn3O4 in just few hours only in a single step eliminating the need of calcinations of any intermediate. The synthesized nanosized Mn3O4 was analyzed by XRD, HRTEM, EDAX, and Raman spectroscopy. The catalytic and electrochemical properties of as-synthesized Mn3O4 were investigated. In galvanostatic charge-discharge experiments, after 800 cycles, more than 89% capacitance was retained for electrodes made by as synthesized Mn3O4 nanomaterials indicating its very good stability. In the catalytic conversion of cinnamyl alcohol to cinnamaldehyde via oxidation, using as prepared nanosized Mn3O4 as a catalyst, it displays effective catalytic properties. A probable mechanical study of its formation was also envisaged. This synthesis protocol is additive-free, occurs in a short time, is facile, is energy efficient, and eliminates the use of many chemicals. These silent features make these reported protocols economically viable and environmentally benign which adhere to the principles of Green Chemistry.

10aCalcination free10aElectrochemical and catalytic properties10aNanosized Mn3O410aSingle-step synthesis1 aYadav, Akash1 aJha, Ratnesh1 aBhatkar, Akash1 aKamble, Aditi1 aVaishnav, Vishal1 aBogalera, Shivamurthy, P.1 aManikandan, Marimuthu1 aNayaka, Girish, Praveen1 aUmbarkar, Shubhangi1 aRaja, Thirumalaiswamy1 aBhatte, Kushal, D. uhttps://library.ncl.res.in/content/effective-facile-and-rapid-synthesis-nanosized-mn3o4-using-microwave-route02014nas a2200253 4500008004100000022001400041245010800055210006900163260000900232490000800241520117300249653002001422653001501442653001601457653002801473100001901501700001701520700002501537700001801562700002001580700002101600700001601621856012301637 2024 eng d a0169-433200aEffects of gamma irradiation on non-polar GaN films deposited on sapphire using pulsed laser deposition0 aEffects of gamma irradiation on nonpolar GaN films deposited on  cMAY 0 v6543 a

The GaN films/layers exposed to gamma-radiations is known to harvest defects and vacancies in the crystals producing donor, acceptor and recombination centers within the bandgap. Therefore it is important to investigate and study the gamma- ray irradiation effects on various physical and chemical properties of a material before any optoelectronic and/or electronic devices are being fabricated. To avoid Stark effect which is observed in most of the optoelectronic devices fabricated using GaN films grew along polar face, use of non-polar GaN films is suggested by researchers. To address such issues the article reports the investigations of physical and chemical properties of non-polar GaN films grown on polar substrate using pulsed laser deposition, which were exposed to the 60Co gamma rays varying dose values. Resistive nature against the impairment of the films caused by gamma-rays observed herewith is highly encouraging, suggesting the use of non-polar GaN films as radiations harden material suitable for fabricating new generation gamma-ray detectors. To our knowledge very limited information is available that report such investigations.

10aGallium nitride10aGamma rays10aPL emission10apulsed laser deposition1 aRajgoli, Tahir1 aSant, Tushar1 aJejurikar, Suhas, M.1 aHinge, Sandip1 aBanpurkar, Arun1 aDahiwale, S., S.1 aLate, Datta uhttps://library.ncl.res.in/content/effects-gamma-irradiation-non-polar-gan-films-deposited-sapphire-using-pulsed-laser02625nas a2200289 4500008004100000022001400041245011700055210006900172260000900241300001100250490000800261520167800269653001901947653003701966653003302003653001702036100001702053700001702070700001902087700001502106700001902121700001502140700001902155700001302174700001902187856012902206 2024 eng d a0925-838800aEfficient electrochemical synthesis of Cu 3 Si/Si hybrids as negative electrode material for lithium-ion battery0 aEfficient electrochemical synthesis of Cu 3 SiSi hybrids as nega cSEP  a1749960 v9983 a

Nanoscaling and alloying techniques for silicon -based materials are widely recognized as vital technological approaches to effectively address the challenges associated with volume expansion and poor conductivity in silicon anodes. Developing short process, cost-effective preparation methods and shape controllable silicon -based materials is expected to improve their cyclability. Herein, utilizing the superior electrical conductivity of copper metal and its stable alloy interaction with silicon, the present study introduced a simple synthetic process by incorporating nanoscale Cu 2 O into a SiO 2 dioxide matrix under a combination of hydrothermal reaction with Cu (NO 3 ) 2 as the copper source and further sintering treatment. Under the conditions of a Cu:Si molar ratio to 3:8 under 850 degrees C by 2.6 V of constant electrolsyis for 3 h, straight silicon nanowires with a cross-sectional distribution were obtained. The Cu 3 Si alloy particles were enriched around silicon nanowires. Experimental testing was conducted to evaluate the electrochemical storage capabilities of Cu 3 Si/Si nanowires, resulting in an initial specific capacity of 2630.7 mAh g -1 and an initial coulombic efficiency of 88.94%. After 100 charge -discharge cycles, the discharge specific capacity reached 1675.4 mAh g -1 , with a capacity retention rate of 66.20%. This work demonstrates the effectiveness of constructing a Cu 3 Si conductive network for solving the volume expansion and conductivity problems of Si and the distinctive Cu 3 Si/Si architecture offers an exemplary model for the design of silicon -based composite anodes for advanced lithium -ion batteries.

10aCu3Si/Si alloy10aElectrochemical storage capacity10aMolten salt electrochemistry10aSi nanowires1 aJiang, Siwei1 aCheng, Jiaxu1 aNayaka, G., P.1 aDong, Peng1 aZhang, Yingjie1 aXing, Yubo1 aZhang, Xiaolei1 aDu, Ning1 aZhou, Zhongren uhttps://library.ncl.res.in/content/efficient-electrochemical-synthesis-cu-3-sisi-hybrids-negative-electrode-material-lithium01672nas a2200265 4500008004100000022001400041245007400055210006900129260000900198300000700207490000800214520085900222653002801081653002301109653001601132653002401148653001101172653002001183653001801203100001801221700002301239700002101262700002101283856010201304 2024 eng d a0974-362600aEfficient one-pot process for synthesis of antiviral drug Ganciclovir0 aEfficient onepot process for synthesis of antiviral drug Gancicl cSEP  a710 v1363 a

A regioselective novel one-pot synthesis of heterocyclic purine derivative antiviral agent Ganciclovir in which initially guanine is treated with acetic anhydride in the presence of iodine (5%) to get diacetyl guanine intermediate, which undergoes in situ N-alkylation with AMDP in presence of catalytic acidic Amberlite IR-120 to get N-alkylated intermediate and finally deacetylation to get pure regioselective Ganciclovir, which is commercially viable and eco-friendly.Graphical abstractWe developed one-pot synthesis of antiviral drug Ganciclovir. Initially, Guanine is treated with acetic anhydride and iodine to yield diacetyl guanine 3. This intermediate then reacted with AMDP in the presence of acidic Amberlite IR-120 to obtain compound 5. Finally, deacetylation yields Ganciclovir 1, a commercially viable and eco-friendly process.

10aAcidic Amberlite IR-12010aacyclic nucleoside10aanti-herpes10acommercially viable10aiodine10aone-pot process10aregiospecific1 aSudrik, Vilas1 aKarpe, Dnyaneshwar1 aJadhav, Vrushali1 aLawande, Shamrao uhttps://library.ncl.res.in/content/efficient-one-pot-process-synthesis-antiviral-drug-ganciclovir01664nas a2200229 4500008004100000022001400041245012600055210006900181260000800250300001200258490000800270520085100278653000601129653002701135653002901162653001201191653001501203100002901218700002701247700002801274856013201302 2024 eng d a1011-372X00aEfficient synthesis of a monomer for bioplastic-FDCA using glucose-HTC catalyst and pinnick oxidation from HMF & fructose0 aEfficient synthesis of a monomer for bioplasticFDCA using glucos cFEB a718-7240 v1543 a

An efficient solvent mediated & use of metal-free catalyst strategy was developed for synthesis of FDCA over two steps. A simple & economical glucose-hydrothermally carbonized (Glu-HTC) catalyst was prepared and evaluated for synthesis of 2,5-Diformyl furan (DFF) from fructose & 5-hydroxymethylfurfural (HMF) in the 1(st) step. DFF was then converted to FDCA using Pinnick oxidation in the 2(nd) step. DFF was obtained in 82% & 86% yields from fructose & HMF respectively whereas FDCA was obtained in 94-95% yield from DFF. FDCA was thus formed in an overall yield of 78% and 81% from fructose & HMF respectively. This strategy eliminated use of expensive noble metals for FDCA synthesis and also intermediates such as HMFCA & FFCA were not observed after the reaction as DFF was completely oxidized to FDCA.

10a210a5-Diformyl furan (DFF)10a5-Furandicarboxylic acid10aBiomass10aD-fructose1 aKirdant, Swapnali, P. P.1 aBankar, Shubham, R. R.1 aJadhav, Vrushali, H. H. uhttps://library.ncl.res.in/content/efficient-synthesis-monomer-bioplastic-fdca-using-glucose-htc-catalyst-and-pinnick-oxidation02190nas a2200157 4500008004100000022001400041245011300055210006900168260000800237300001400245490000700259520159300266100002401859700002401883856012501907 2024 eng d a0006-296000aElectrostatics choreographs the aggregation dynamics of full-length TDP-43 via a monomeric amyloid precursor0 aElectrostatics choreographs the aggregation dynamics of fullleng cMAY a1553-15680 v633 a

TDP-43 is a ubiquitously expressed, multidomain functional protein that is distinctively known to form aggregates in many fatal neurodegenerative disorders. However, the information for arresting TDP-43 aggregation is missing due to a lack of understanding of the molecular mechanism of the aggregation and structural properties of TDP-43. TDP-43 is inherently prone to aggregation and has minimal protein solubility. Multiple studies have been performed on the smaller parts of TDP-43 or the full-length protein attached to a large solubilization tag. However, the presence of co-solutes or solubilization tags is observed to interfere with the molecular properties and aggregation mechanism of full-length TDP-43. Notably, this study populated and characterized the native, dimeric state of TDP-43 without the interference of co-solutes or protein modifications. We observed that the electrostatics of the local environment is capable of the partial unfolding and monomerization of the native dimeric state of TDP-43 into an amyloidogenic molten globule. By employing the tools of thermodynamics and kinetics, we reveal the structural characteristics and temporal order of the early intermediates and transition states during the transition of the molten globule to beta-rich, amyloid-like aggregates of TDP-43, which is governed by the electrostatics of the environment. The current advanced understanding of the nature of native and early aggregation-prone intermediates, early steps, and the influence of electrostatics in TDP-43 aggregation is essential for drug design.

1 aDoke, Abhilasha, A.1 aJha, Santosh, Kumar uhttps://library.ncl.res.in/content/electrostatics-choreographs-aggregation-dynamics-full-length-tdp-43-monomeric-amyloid02460nas a2200241 4500008004100000022001400041245014600055210006900201260000900270300001100279490000800290520157900298653001901877653002901896653002301925653003201948653001401980653002701994100002402021700002202045700002002067856013102087 2024 eng d a0006-291X00aEngineering inhibitory repeat domains of Pin-II type proteinase inhibitors indicate their high structural-functional tolerance to mutagenesis0 aEngineering inhibitory repeat domains of PinII type proteinase i cNOV  a1508080 v7353 a

Plant proteinase inhibitors (PIs) are critical in defending against biotic stress. Most PIs contain an inhibitory repeat domain (IRD), which serves as the functional component, displaying a high degree of sequence and structural conservation. In this study, we examined the structural and functional resilience of IRDs using a combination of computational modeling and experimental validation. We have taken an evolution-based approach to enhance the PIs effectiveness of two previously identified Capsicum annuum IRDs, IRD4 and IRD10. Through in silico site-saturation mutagenesis of IRD4 and IRD10, we identified key sites associated with enhanced PI activity for targeted mutagenesis. Binding energy predictions for a mutant IRD library, tested against target proteases, suggested that positions R11 and N32 in IRD4 and N32 and H33 in IRD10 were promising candidates for further modification to improve inhibitory potential. Subsequent experimental validation revealed that the mutant proteins IRD4_R11K and IRD4_N32S exhibited stronger chymotrypsin inhibition than the wild-type (WT) IRD4. Similarly, the mutants IRD10_N32S and IRD10_H33 N demonstrated improved trypsin inhibition relative to the WT IRD10. These findings indicate that engineered IRD variants can tolerate structural changes while maintaining or enhancing their inhibitory activity against target proteases. Overall, this study demonstrates the potential of engineering PIs to increase their structural and functional resilience, offering new opportunities for biotechnological applications.

10aCapsicum annum10aInhibitory repeat domain10amolecular modeling10aplant proteinase inhibitors10aProteases10aSaturation mutagenesis1 aBarbole, Ranjit, S.1 aJoshi, Rakesh, S.1 aGiri, Ashok, P. uhttps://library.ncl.res.in/content/engineering-inhibitory-repeat-domains-pin-ii-type-proteinase-inhibitors-indicate-their-high00906nas a2200265 4500008004100000022001400041245009000055210006900145260000800214490000700222653002300229653001800252653002300270100002900293700002600322700002100348700002000369700001900389700002000408700003400428700001800462700001900480700001900499856012200518 2024 eng d a1613-681000aEntropy-driven reversible melting and recrystallization of layered hybrid perovskites0 aEntropydriven reversible melting and recrystallization of layere cNOV0 v2010ahybrid perovskites10aphotodetector10areversible melting1 aRajput, Parikshit, Kumar1 aSalunkhe, Parashurama1 aSarma, Manmayuri1 aBasu, Meghasree1 aGopal, Animesh1 aJoshi, Aprajita1 aShingote, Ajinkya, Sundarnath1 aSaha, Surajit1 aRahman, Atikur1 aNag, Angshuman uhttps://library.ncl.res.in/content/entropy-driven-reversible-melting-and-recrystallization-layered-hybrid-perovskites01865nas a2200193 4500008004100000022001400041245010100055210006900156260000900225490000800234520121600242653002201458653000801480653001001488653001001498100002001508700001801528856012501546 2024 eng d a2468-823100aExploring the catalytic potential of Mg-Cu alloys for enhanced activity toward CO2 hydrogenation0 aExploring the catalytic potential of MgCu alloys for enhanced ac cMAR 0 v5563 a

CO2, a well-known greenhouse gas, is a potential raw material that can produce various chemicals. Dissociation of CO2 to CO or hydrogenation to formate (HCOO*) or carboxyl (COOH*) intermediate is crucial in determining the reaction pathway for CO2 conversion. In this work, we demonstrate that alloys of Mg-Cu exhibit greater activity toward activation and hydrogenation of CO2 than transition metal alloys reported so far. Two different compositions of Mg-Cu, namely Mg2Cu and MgCu2, have been studied using periodic Density Functional Theory (DFT). Our investigations reveal that CO2 chemisorbs on both intermetallic alloys. Coadsorption of CO2 with H2O leads to the spontaneous formation of COOH* over Mg2Cu(224), whereas a negligible barrier (0.04 eV) is observed for MgCu2(311). HCOO* formation has a barrier of 0.34 eV and 0.42 eV on Mg2Cu(224) and MgCu2(311), respectively. Dissociation of CO2 to CO is kinetically unfavourable on both compositions of Mg-Cu. We provide a rationale for the observed activity by analyzing the electronic structure. Notably, the spontaneous hydrogenation of CO2 makes earth -abundant metals suitable candidates for alloying that await experimental verification.

10aCO2 hydrogenation10aDFT10aMg2Cu10aMgCu21 aThakkar, Kavita1 aJoshi, Kavita uhttps://library.ncl.res.in/content/exploring-catalytic-potential-mg-cu-alloys-enhanced-activity-toward-co2-hydrogenation01380nas a2200169 4500008004100000022001400041245011100055210006900166260000800235300001600243490000800259520076200267100001801029700002101047700001801068856012401086 2024 eng d a1932-744700aExploring the CeO2 support morphology for the carbon dioxide hydrogenation reaction using nickel catalysts0 aExploring the CeO2 support morphology for the carbon dioxide hyd cOCT a18782-187920 v1283 a

The catalytic activity and stability are examined for the hydrogenation of carbon dioxide under atmospheric pressure over 2 wt % Ni/CeO2 nanorods (2Ni-CeNRs), nanocubes (2Ni-CeNCs), and nanopolyhedra (2Ni-CeNPs). The 2Ni-CeNR catalysts display excellent catalytic activity and higher stability compared with 2Ni-CeNC and 2Ni-CeNP catalysts. A comprehensive understanding of the surface atomic and electronic structure versus activity has been derived using high-resolution electron microscopy and spectroscopy techniques. High metal dispersion, strong metal-support interaction (SMSI) effect and abundant oxygen vacancies are deduced to play a crucial role in determining the catalytic activity and selectivity of the CO2 hydrogenation reaction.

1 aGupta, Sharad1 aJagtap, Anuradha1 aVinod, C., P. uhttps://library.ncl.res.in/content/exploring-ceo2-support-morphology-carbon-dioxide-hydrogenation-reaction-using-nickel00959nas a2200289 4500008004100000022001400041245012400055210006900179260000800248300000900256490000700265653000700272653001900279653002600298653002600324653000700350653001700357653000700374100002200381700002300403700002800426700002000454700002300474700002300497700002400520856012500544 2024 eng d a0957-452200aExploring the synthesis, characterization, electrical, and magnetic behavior of crystalline Ni1-xZnxFe2O4 nanoparticles0 aExploring the synthesis characterization electrical and magnetic cSEP a17140 v3510aCO10aDC RESISTIVITY10aDIELECTRIC-PROPERTIES10aFERRITE NANOPARTICLES10aNi10aSubstitution10aZN1 aAdsure, Kiran, T.1 aJagtap, Sumant, B.1 aNewaskar, Shivkumar, R.1 aKore, Kiran, B.1 aFunde, Adinath, M.1 aPatange, Sunil, M.1 aLate, Dattatray, J. uhttps://library.ncl.res.in/content/exploring-synthesis-characterization-electrical-and-magnetic-behavior-crystalline-ni101981nas a2200193 4500008004100000022001400041245011900055210006900174260000800243300001400251490000600265520128500271100002201556700002601578700001801604700001601622700002301638856012601661 2024 eng d a2516-023000aFacile synthesis of nanostructured Ni/NiO/N-doped graphene electrocatalysts for enhanced oxygen evolution reaction0 aFacile synthesis of nanostructured NiNiONdoped graphene electroc cMAY a2813-28220 v63 a

Electrocatalysts containing a Ni/NiO/N-doped graphene interface have been synthesised using the ligand-assisted chemical vapor deposition technique. NiO nanoparticles were used as the substrate to grow N-doped graphene by decomposing vapours of benzene and N-containing ligands. The method was demonstrated with two nitrogen-containing ligands, namely dipyrazino[2,3-f:2 `,3 `-h]quinoxaline-2,3,6,7,10,11-hexacarbonitrile (L) and melamine (M). The structure and composition of the as-synthesized composites were characterized by XRD, Raman spectroscopy, SEM, TEM and XPS. The composite prepared using the ligand L had NiO sandwiched between Ni and N-doped graphene and showed an overpotential of 292 mV at 10 mA cm-2 and a Tafel slope of 45.41 mV dec-1 for the OER, which is comparable to the existing noble metal catalysts. The composite prepared using the ligand M had Ni encapsulated by N-doped graphene without NiO. It showed an overpotential of 390 mV at 10 mA cm-2 and a Tafel slope of 78.9 mV dec-1. The ligand-assisted CVD route demonstrates a facile route to control the microstructure of the electrocatalysts. Electrocatalysts containing a Ni/NiO/N-doped graphene interface have been synthesised using the ligand-assisted chemical vapor deposition technique.

1 aMadampadi, Roshni1 aPatel, Avit, Bhogilal1 aVinod, C., P.1 aGupta, Ritu1 aJagadeesan, Dinesh uhttps://library.ncl.res.in/content/facile-synthesis-nanostructured-ninion-doped-graphene-electrocatalysts-enhanced-oxygen02528nas a2200253 4500008004100000022001400041245011700055210006900172260000800241300001400249490000800263520162300271653002301894653004201917653003001959653001801989100002402007700002702031700001702058700001702075700003002092700002702122856012502149 2024 eng d a0031-865500aFar-red active unsymmetrical squaraine dyes containing N-arylated indoline donors for dye sensitized solar cells0 aFarred active unsymmetrical squaraine dyes containing Narylated  cJUL a1116-11260 v1003 a

Squaraine dyes possess sharp far-red active transition with high extinction coefficient and form aggregates on TiO2 surface. Aggregation of dyes on TiO2 has been considered as a detrimental factor for DSSC device performance, which can be controlled by appending alkyl groups to the dye structures. Hence by integrating alkylated (alkyl groups with both in-plane and out-of-plane) aryl group with indoline moiety to make it compatible with other electrolytes and for controlling the dye-aggregation, a series of squaraine acceptor-based dyes SQA4-6 have been designed and synthesized. SQA4-6 dyes showed absorption between 642 and 653 nm (lambda max), photophysical and electrochemical studies indicated that the HOMO energy levels of this sets of dyes are well aligned with the potentials of I-/I3-\$\$ {\textbackslashmathrm{I}}_3<\^>{-} \$\$ and [Co(bpy)3]2+/3+ redox shuttles for better dye regeneration process. DSSC device efficiency of 3% has been achieved for SQA5 dye with iodolyte (I-/I3-\$\$ {\textbackslashmathrm{I}}_3<\^>{-} \$\$) electrolyte in the presence of 0.3 mM of chenodeoxycholic acid (CDCA). The IPCE profile of DSSC device fabricated with SQA4-6 dyes indicated the contribution of aggregated structures for the photocurrent generation. Dye-sensitized solar cell (DSSC) device efficiency of 3% (Jsc 5.72 mA cm-2, Voc 662 mV and ff 79%) has been achieved for an unsymmetrical squaraine dye, SQA5 with iodolyte electrolyte and the incident photon to current efficiency (IPCE) profile indicates the contribution of aggregated structures for the photocurrent generation.*image

10aaggregation of dye10aarylation on N-atom of indoline donor10adye-sensitized solar cell10asquaraine dye1 aJadhav, Avinash, P.1 aSingh, Ambarish, Kumar1 aPandya, Rinu1 aVanka, Kumar1 aKrishnamoorthy, Kothandam1 aJayaraj, Nithyanandhan uhttps://library.ncl.res.in/content/far-red-active-unsymmetrical-squaraine-dyes-containing-n-arylated-indoline-donors-dye02081nas a2200205 4500008004100000245009500041210006900136260000800205300000900213490000700222520140100229100001701630700001601647700002001663700001501683700001801698700001901716700001801735856012201753 2024 eng d00aFeedback driven autonomous cycles of assembly and disassembly from minimal building blocks0 aFeedback driven autonomous cycles of assembly and disassembly fr cNOV a99800 v153 a

The construction of complex systems by simple chemicals that can display emergent network dynamics might contribute to our understanding of complex behavior from simple organic reactions. Here we design single amino acid/dipeptide-based systems that exhibit multiple periodic changes of (dis)assembly under non-equilibrium conditions in closed system, importantly in the absence of evolved biocatalysts. The two-component based building block exploits pH driven non-covalent assembly and time-delayed accelerated catalysis from self-assembled state to install orthogonal feedback loops with a single batch of reactants. Mathematical modelling of the reaction network establishes that the oscillations are transient for this network structure and helps to predict the relative contribution of the feedback loop to the ability of the system to exhibit such transient oscillation. Such autonomous systems with purely synthetic molecules are the starting point that can enable the design of active materials with emergent properties. The study of the network dynamics of complex systems formed by simple chemicals can contribute to our understanding of complex behavior from simple organic reactions. Here, built on the minimal building blocks, the authors describe a system with periodic (dis)assembly utilizing feedback loops controlled by time-delayed catalysis and pH-driven assembly.

1 aReja, Antara1 aJha, Sangam1 aSreejan, Ashley1 aPal, Sumit1 aBal, Subhajit1 aGadgil, Chetan1 aDas, Dibyendu uhttps://library.ncl.res.in/content/feedback-driven-autonomous-cycles-assembly-and-disassembly-minimal-building-blocks01960nas a2200229 4500008004100000022001400041245009500055210006900150260000900219300001100228490000800239520124200247653000801489653001701497653000901514653000801523100001801531700002001549700002801569700001801597856011501615 2024 eng d a0169-433200aFrom digital blueprint to chemical reality: methanol to formaldehyde at ambient conditions0 aFrom digital blueprint to chemical reality methanol to formaldeh cOCT  a1605270 v6693 a

Partial oxidation of methanol to value added product presents an intriguing yet challenging process. Among these products, formaldehyde is the simplest and one of the most vital aliphatic aldehydes, which has extensive application across various domains. Industrially, silver and iron-molybdenum oxides are used as catalysts for the conversion of methanol to formaldehyde at elevated temperatures (600 degrees C and 250-400 degrees C, respectively). However, in this computational and experimental study, we have demonstrated the efficacy of ZnO as a catalyst. Notably, in the presence of ZnO, methanol readily converts to formaldehyde even under ambient conditions. We employed periodic density functional theory (DFT) to explore (10 1 1) facet of ZnO to elucidate its interaction with methanol. Our comprehensive analysis identified the most active facet (10 1 1) involved in the spontaneous conversion of methanol to formaldehyde. Subsequently, experimental validation supported our theoretical findings, demonstrating the conversion of methanol to formaldehyde with 100% selectivity at room temperature and atmospheric pressure in the presence of ZnO. This study exemplifies the pivotal role of theory in catalyst design.

10aDFT10aFormaldehyde10aMeOH10aZnO1 aMehta, Shweta1 aKasabe, Mirabai1 aUmbarkar, Shubhangi, B.1 aJoshi, Kavita uhttps://library.ncl.res.in/content/digital-blueprint-chemical-reality-methanol-formaldehyde-ambient-conditions02066nas 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-classes02443nas a2200157 4500008004100000022001400041245014500055210006900200260000800269300001400277490000700291520180800298100002402106700002402130856013102154 2024 eng d a0006-296000aIdentification of a hidden, highly aggregation-prone intermediate of full-length TDP-43 that triggers its misfolding and amyloid aggregation0 aIdentification of a hidden highly aggregationprone intermediate  cNOV a3100-31130 v633 a

In cells, TDP-43 is a crucial protein that can form harmful amyloid aggregates linked to fatal and incurable human neurodegenerative disorders. Normally, TDP-43 exists in a smaller soluble native state that prevents aggregation. However, aging and stress can destabilize this native state, leading to the formation of disease-causing amyloid aggregates via the formation of partially unfolded, high-energy intermediates with a greater tendency to aggregate. These intermediates are crucial in the early stages of amyloid formation and are challenging to study due to their low stability. Understanding the structure of these early aggregation-prone states of TDP-43 is essential for designing effective treatments for TDP-43 proteinopathies. Targeting these initial intermediates could be more effective than focusing on fully formed amyloid aggregates. By disrupting the aggregation process at this early stage, we may be able to prevent the progression of diseases related to TDP-43 aggregation. Hence, we decided to uncover the hidden, high-energy intermediates in equilibrium with the native states of TDP-43 by modulating the thermodynamic stability of the soluble native dimer (N form) and monomeric molten globular state (MG form) of full-length TDP-43. The thermodynamic modulation performed in the current study successfully revealed the highly aggregation-prone intermediate of full-length TDP-43, i.e., PUF. Moreover, we observed that along with high aggregation propensity, the aggregation kinetics and mechanisms of PUF differ from previously identified intermediates of full-length TDP-43 (the MG and I forms). The information regarding the initial aggregation-prone state of full-length TDP-43 could lead to therapies for amyloid diseases by halting early protein aggregation.

1 aDoke, Abhilasha, A.1 aJha, Santosh, Kumar uhttps://library.ncl.res.in/content/identification-hidden-highly-aggregation-prone-intermediate-full-length-tdp-43-triggers-its06441nas a2200865 4500008004100000245020100041210007000242260000800312490000700320520376100327100003104088700002604119700001804145700001804163700002504181700002604206700002004232700001904252700001604271700002104287700002704308700001904335700002204354700001904376700002604395700001904421700002004440700002104460700002004481700002004501700002304521700002404544700002204568700002504590700002704615700001804642700002004660700002104680700001604701700002004717700001504737700002904752700002104781700002104802700001904823700002704842700002904869700001804898700001804916700002604934700003204960700001904992700001905011700002005030700002305050700001605073700002205089700001905111700002005130700001605150700003105166700001605197700001805213700002505231700002105256700001505277700001905292700002005311700002405331700002805355700001705383700002005400700002005420856013505440 2024 eng d00aImmunogenicity of SARS-CoV-2 vaccines BBV152 (COVAXIN®) and ChAdOx1 nCoV-19 (COVISHIELD™) in seronegative and seropositive individuals in India: a multicentre, nonrandomised observational study0 aImmunogenicity of SARSCoV2 vaccines BBV152 COVAXIN® and ChAdOx1  cMAR0 v223 a

Background: There are limited global data on head-to-head comparisons of vaccine platforms assessing both humoral and cellular immune responses, stratified by pre-vaccination serostatus. The COVID-19 vaccination drive for the Indian population in the age group 18-45 years began in April 2021 when seropositivity rates in the general population were rising due to the delta wave of COVID-19 pandemic during April-May 2021.

Methods: Between June 30, 2021, and Jan 28, 2022, we enrolled 691 participants in the age group 18-45 years across four clinical sites in India. In this non-randomised and laboratory blinded study, participants received either two doses of Covaxin® (4 weeks apart) or two doses of Covishield™ (12 weeks apart) as per the national vaccination policy. The primary outcome was the seroconversion rate and the geometric mean titre (GMT) of antibodies against the SARS-CoV-2 spike and nucleocapsid proteins post two doses. The secondary outcome was the frequency of cellular immune responses pre- and post-vaccination.

Findings: When compared to pre-vaccination baseline, both vaccines elicited statistically significant seroconversion and binding antibody levels in both seronegative and seropositive individuals. In the per-protocol cohort, Covishield™ elicited higher antibody responses than Covaxin® as measured by seroconversion rate (98.3% vs 74.4%, p < 0.0001 in seronegative individuals; 91.7% vs 66.9%, p < 0.0001 in seropositive individuals) as well as by anti-spike antibody levels against the ancestral strain (GMT 1272.1 vs 75.4 binding antibody units/ml [BAU/ml], p < 0.0001 in seronegative individuals; 2089.07 vs 585.7 BAU/ml, p < 0.0001 in seropositive individuals). As participants at all clinical sites were not recruited at the same time, site-specific immunogenicity was impacted by the timing of vaccination relative to the delta and omicron waves. Surrogate neutralising antibody responses against variants-of-concern including delta and omicron was higher in Covishield™ recipients than in Covaxin® recipients; and in seropositive than in seronegative individuals after both vaccination and asymptomatic infection (omicron variant). T cell responses are reported from only one of the four site cohorts where the vaccination schedule preceded the omicron wave. In seronegative individuals, Covishield™ elicited both CD4+ and CD8+ spike-specific cytokine-producing T cells whereas Covaxin® elicited mainly CD4+ spike-specific T cells. Neither vaccine showed significant post-vaccination expansion of spike-specific T cells in seropositive individuals.

1 aAsokan, Mangaiarkarasi, S.1 aJoan, Roshni, Florina1 aBabji, Sudhir1 aDayma, Girish1 aNadukkandy, Prajitha1 aSubrahmanyam, Vinutha1 aPandey, Archana1 aMalagi, Girish1 aArya, Pooja1 aMahajan, Vibhuti1 aBhavikatti, Jayateerth1 aPawar, Ketakee1 aThorat, Aishwarya1 aShah, Priyanki1 aGoud, Ramakrishna, B.1 aRoy, Bishnudeo1 aRajukutty, Shon1 aImmanuel, Sushil1 aAgarwal, Dhiraj1 aSaha, Sankhanil1 aShivaraj, Akshatha1 aPanikulam, Patricia1 aShome, Rajeshwari1 aGulzar, Shah-E-Jahan1 aSharma, Anusmrithi, U.1 aNaik, Ajinkya1 aTalashi, Shruti1 aBelekar, Madhuri1 aYadav, Ritu1 aKhude, Poornima1 aV, Mamatha1 aShivalingaiah, Sudarshan1 aDeshmukh, Urmila1 aBhise, Chinmayee1 aJoshi, Manjiri1 aInbaraj, Leeberk, Raja1 aChandrasingh, Sindhulina1 aGhose, Aurnab1 aJamora, Colin1 aKarumbati, Anandi, S.1 aSundaramurthy, Varadharajan1 aJohnson, Avita1 aRamesh, Naveen1 aChetan, Nirutha1 aParthiban, Chaitra1 aAhmed, Asma1 aRakshit, Srabanti1 aAdiga, Vasista1 aD'souza, George1 aRale, Vinay1 aGeorge, Carolin, Elizabeth1 aJohn, Jacob1 aKawade, Anand1 aChaturvedi, Akanksha1 aRaghunathan, Anu1 aDias, Mary1 aBhosale, Anand1 aRaghu, Padinjat1 aShashidhara, L., S.1 ayakarnam, Annapurna, V.1 aBal, Vineeta1 aKang, Gagandeep1 aMayor, Satyajit uhttps://library.ncl.res.in/content/immunogenicity-sars-cov-2-vaccines-bbv152-covaxin%C2%AE-and-chadox1-ncov-19-covishield%E2%84%A202668nas a2200253 4500008004100000022001400041245007600055210006900131260000800200490000600208520183100214653001602045653002602061653001402087653003802101100002602139700002402165700002602189700003002215700001802245700002402263700002202287856010502309 2024 eng d a2701-019800aInhibition of trehalose synthesis in lepidoptera reduces larval fitness0 aInhibition of trehalose synthesis in lepidoptera reduces larval  cFEB0 v83 a

Trehalose is synthesized in insects through the trehalose 6-phosphate synthase and phosphatase (TPS/TPP) pathway. TPP dephosphorylates trehalose 6-phosphate to release trehalose. Trehalose is involved in metamorphosis, but its relation with body weight, size, and developmental timing is unexplored. The expression and activity of TPS/TPP fluctuate depending on trehalose demand. Thus, TPS/TPP inhibition can highlight the significance of trehalose in insect physiology. TPS/TPP transcript levels are elevated in the pre-pupal and pupal stages in Helicoverpa armigera. The inhibition of recombinantly expressed TPP by N-(phenylthio)phthalimide (NPP), is validated by in vitro assays. In vivo inhibition of trehalose synthesis reduces larval weight and size, hampers metamorphosis, and reduces its overall fitness. Insufficient trehalose leads to a shift in glucose flux, reduced energy, and dysregulated fatty acid oxidation. Metabolomics reaffirms the depletion of trehalose, glucose, glucose 6-phosphate, and suppressed tricarboxylic acid cycle. Reduced trehalose hampers the energy level affecting larval vitality. Through trehalose synthesis inhibition, the importance of trehalose in insect physiology and development is investigated. Also, in two other lepidopterans, TPP inhibition impedes physiology and survival. NPP is also found to be effective as an insecticidal formulation. Overall, trehalose levels affect the larval size, weight, and metabolic homeostasis for larval-pupal transition in lepidoptera. Inhibition of trehalose synthesis enzyme TPS/TPP is a good model to study the contribution of trehalose in attaining body weight and in larval-pupal transition. Transcriptomics and metabolomics studies reveal overall reduced energy and dysregulated glucose, protein, and fatty acid metabolism.image

10aLepidoptera10ametabolic homeostasis10atrehalose10atrehalose 6-phosphate phosphatase1 aTellis, Meenakshi, B.1 aMohite, Sharada, D.1 aNair, Vineetkumar, S.1 aChaudhari, Bhagyashri, Y.1 aAhmed, Shadab1 aKotkar, Hemlata, M.1 aJoshi, Rakesh, S. uhttps://library.ncl.res.in/content/inhibition-trehalose-synthesis-lepidoptera-reduces-larval-fitness02221nas a2200241 4500008004100000022001400041245015300055210006900208260000800277520129500285653004401580653000801624653002401632653002701656653002901683100004001712700001801752700001901770700001801789700001801807700002401825856013001849 2024 eng d a1613-681000aInsights on prussian blue analogue cathode material engineered with polypyrrole surface protection layer for aqueous rechargeable zinc metal battery0 aInsights on prussian blue analogue cathode material engineered w cNOV3 a

One of the key intricacies against using Prussian blue analogues (PBAs) in aqueous batteries is their gradual dissolution in aqueous electrolytes, resulting in inadequate cycling stability. Besides, the rate capability of PBAs is limited due to their poor electrical conductivity. To overcome these challenges, it is essential to tune the physical and chemical properties of PBAs at the nano regime without affecting the inherent charge storage properties, especially at high-voltage operating conditions. Through this work, a strategy is demonstrated to enhance the electrochemical performance of vanadium-based PBA (V-PBA) by surface engineering using a conducting polymer nano-skin (V-PBA/PPy) for aqueous zinc metal batteries. The polypyrrole (PPy) nano-skin over the V-PBA nanoparticles acts as an electron percolation path to ameliorate the poor electronic conductivity of the otherwise pristine V-PBA. Interestingly, the V-PBA with an optimized polypyrrole coating (V-PBA/PPy-2) exhibits an enhanced specific capacity (173 mAh g-1 at 0.10 A g-1) than the pristine V-PBA counterpart (80 mAh g-1) and 85% capacity retention up to 500 cycles. The DFT calculation confirms the synergistic interaction between PPy and V-PBA and the presence of PPy favors the adsorption of Zn.

10aaqueous rechargeable zinc metal battery10aDFT10apolypyrrole coating10aPrussian blue analogue10asurface protection layer1 aPuthiyaveetil, Priyanka, Pandinhare1 aNair, Aathira1 aDilwale, Swati1 aKurian, Maria1 aJoshi, Kavita1 aKurungot, Sreekumar uhttps://library.ncl.res.in/content/insights-prussian-blue-analogue-cathode-material-engineered-polypyrrole-surface-protection04290nas a2200253 4500008004100000245013100041210006900172260000800241490000700249520336900256100002203625700002803647700002003675700002403695700003003719700002003749700001803769700002603787700002303813700001303836700002803849700002703877856013203904 2024 eng d00aIntegrated genomic and functional analysis of Streptomyces sp. UP1A-1 for bacterial wilt control and solanaceae yield increase0 aIntegrated genomic and functional analysis of Streptomyces sp UP cDEC0 v373 a

Ralstonia solanacearum is one of the most destructive soil-borne pathogen, causing bacterial wilt to the solanaceae vegetables. Streptomyces sp. UP1A-1 isolated from healthy solanaceae rhizosphere soil, exhibited the lowest disease incidence and increased fruit yield of solanaceae vegetables. However, the genomic and functional properties of UP1A-1 are unclear. Therefore, we conducted the present study to elucidate the genomic characteristics of UP1A-1 by whole genome sequencing. The results indicate that the genome of Streptomyces sp. UP1A-1 consists of 8,252,902 bp and contains 72.42 % G + C. We identified the genes that confer plant growth promoting (PGP) function, which include those involved in siderophore production, indole-3-acetic acid biosynthesis, phosphate solubilization, nitrogen metabolism, and potassium metabolism. We also identified several other genes, such as chitinase, peroxidase, superoxide dismutase, catalase, proline biosynthesis, and glucose dehydrogenase, which are believed to be involved in the control of wilt disease. These genes revealed that the strain UP1A-1 has physiologically adapted to varied environmental conditions and could potentially control both abiotic and biotic stresses.

1 aKaari, Manigundan1 aManikkam, Radhakrishnan1 aJoseph, Jerrine1 aKrishnan, Sakthivel1 aAnnamalai, Kishore, Kumar1 aKhan, Abujunaid1 aRajput, Vinay1 aDastager, Syed, Gulam1 aDharne, Mahesh, S.1 aUmar, Md1 aVenugopal, Gopikrishnan1 aAlexander, Balamurugan uhttps://library.ncl.res.in/content/integrated-genomic-and-functional-analysis-streptomyces-sp-up1a-1-bacterial-wilt-control-and01234nas a2200361 4500008004100000022001400041245015900055210006900214260000800283490000700291653002100298653001200319653002900331653001500360653002600375653001700401100002100418700002300439700002400462700002400486700002200510700002300532700001600555700002000571700001900591700003000610700002200640700001600662700002200678700002200700700002400722856012600746 2024 eng d a1613-681000aInterface-centric strategies in kesterite solar cells: addressing challenges, solutions, and future directions for efficient solar-harvesting technologies0 aInterfacecentric strategies in kesterite solar cells addressing  cDEC0 v2010aband engineering10aDefects10ainterface loss mechanism10akesterites10arecombination control10asolar energy1 aJagadish, Kusuma1 aRahane, Ganesh, K.1 aKumar, Boddeda, Sai1 aBorkar, Durgesh, R.1 aChordiya, Kalyani1 aKavanagh, Sean, R.1 aRoy, Anurag1 aDebnath, Tushar1 aKolekar, Sadhu1 aKahaly, Mousumi, Upadhyay1 aMali, Sawanta, S.1 aPal, Shovon1 aGasparini, Nicola1 aDubal, Deepak, P.1 aRondiya, Sachin, R. uhttps://library.ncl.res.in/content/interface-centric-strategies-kesterite-solar-cells-addressing-challenges-solutions-and02192nas a2200217 4500008004100000022001400041245012900055210007000184260000800254300001400262490000700276520142900283100001601712700001901728700001501747700001901762700001801781700002101799700002101820856013301841 2024 eng d a0020-166900aIntertwining of localized (d) and delocalized (π) spins in magnetically frustrated two-dimensional metal-organic frameworks0 aIntertwining of localized d and delocalized π spins in magnetica cFEB a3675-36810 v633 a

Two-dimensional metal-organic frameworks (2D MOFs) are emerging as a new class of multifunctional materials for diversified applications, although magnetic properties have not been widely explored. The metal ions and organic ligands in some of the 2D MOFs are arranged in the well-known Kagome lattice, leading to geometric spin frustration. Hence, such systems could be the potential candidates to exhibit an exotic quantum spin liquid (QSL) state, as was observed in Cu-3(HHTP)(2) (HHTP = hexahydroxytriphenylene), with no magnetic transition down to 38 mK. Hereto, we have investigated the spin intertwining in a bimetallic 2D MOF system, M-3(HHTP)(2) (M = Cu/Zn)(,) arising from the localized (d-electron) and delocalized (pi-electron) S = 1/2 spins from the Cu(II) ions and the HHTP radicals, respectively. The origin of the spin frustration (down to 5K) was critically examined by varying the metal composition in bimetallic systems, CuxZn3-x(HHTP)(2) (x = 1, 1.5, 2), containing both S = 1/2 and S = 0 spins. Additionally, to gain a deeper understanding, we studied the spin interaction in the pristine Zn-3(HHTP)(2) system containing only S = 0 Zn(II) ions. In view of the quantitative estimate of the localized and delocalized spins, the d-pi spin correlation appears essential in understanding the unusual magnetic and/or other physical properties of such hybrid organic-inorganic 2D crystalline solids

1 aUgale, Ajay1 aNinawe, Pranay1 aJain, Anil1 aSangole, Mayur1 aMandal, Rimpa1 aSingh, Kirandeep1 aBallav, Nirmalya uhttps://library.ncl.res.in/content/intertwining-localized-d-and-delocalized-%CF%80-spins-magnetically-frustrated-two-dimensional02741nas a2200181 4500008004100000245010100041210006900142260000800211520202500219100002702244700003402271700001702305700002302322700003202345700003202377700002602409856012402435 2024 eng d00aInvestigation of cathinone analogs targeting human dopamine transporter using molecular modeling0 aInvestigation of cathinone analogs targeting human dopamine tran cMAY3 a

In a step towards understanding the structure–property relationship among Synthetic Cathinones (SCs), a combined methodology based on Density Functional Theory (DFT), Administration, Distribution, Metabolism, Excretion, and Toxicity (ADMET) predictions, docking and molecular dynamics simulations have been applied to correlate physicochemical descriptors of various SCs to their biological activity. The results from DFT and molecular docking studies correlate well with each other explaining the biological activity trends of the studied SCs. Quantum mechanical descriptors viz. polarizability, electron affinity, ionization potential, chemical hardness, electronegativity, molecular electrostatic potential, and ion interaction studies unravel the distinguishingly reactive nature of Group D (pyrrolidine substituted) and Group E (methylenedioxy and pyrrolidine substituted) compounds. According to ADMET analysis, Group D and Group E molecules have a higher probability of permeating through the blood–brain barrier. Molecular docking results indicate that Phe76, Ala77, Asp79, Val152, Tyr156, Phe320, and Phe326 constitute the binding pocket residues of hDAT in which the most active ligands MDPV, MDPBP, and MDPPP are bound. Finally, to validate the derived quantum chemical descriptors and docking results, Molecular Dynamics (MD) simulations are performed with homology-modelled hDAT (human dopamine transporter). The MD simulation results revealed that the majority of SCs remain stable within the hDAT protein’s active sites via non-bonded interactions after 100 ns long simulations. The findings from DFT, ADMET analysis, molecular docking, and molecular dynamics simulation studies complement each other suggesting that pyrrolidine-substituted SCs (Group D and E), specifically, MPBP and PVN are proven potent SCs along with MDPV, validating various experimental observations.

1 aShivankar, Bhavana, R.1 aBhandare, Vishwambhar, Vishnu1 aJoshi, Krati1 aS., Patil., Vishal1 aDhotare, Priyanka, Shrikant1 aSonawane, Kailas, Dasharath1 aKrishnamurty, Sailaja uhttps://library.ncl.res.in/content/investigation-cathinone-analogs-targeting-human-dopamine-transporter-using-molecular05784nas a2200325 4500008004100000245013700041210006900178260000800247300001400255490000600269520469500275100002204970700002304992700002005015700001905035700001805054700002005072700001705092700001705109700002105126700002305147700001605170700002705186700001805213700002705231700002205258700002405280700002405304856013005328 2024 eng d00aLead-free Cs2AgBiCl6 double perovskite: experimental and theoretical insights into the self-trapping for optoelectronic applications0 aLeadfree Cs2AgBiCl6 double perovskite experimental and theoretic cJUL a476–4890 v43 a

Lead-free double perovskites (DPs) will emerge as viable and environmentally safe substitutes for Pb-halide perovskites, demonstrating stability and nontoxicity if their optoelectronic property is greatly improved. Doping has been experimentally validated as a powerful tool for enhancing optoelectronic properties and concurrently reducing the defect state density in DP materials. Fundamental understanding of the optical properties of DPs, particularly the self-trapped exciton (STEs) dynamics, plays a critical role in a range of optoelectronic applications. Our study investigates how Fe doping influences the structural and optical properties of Cs2AgBiCl6 DPs by understanding their STEs dynamics, which is currently lacking in the literature. A combined experimental–computational approach is employed to investigate the optoelectronic properties of pure and doped Cs2AgBiCl6 (Fe–Cs2AgBiCl6) perovskites. Successful incorporation of Fe3+ ions is confirmed by X-ray diffraction and Raman spectroscopy. Moreover, the Fe–Cs2AgBiCl6 DPs exhibit strong absorption from below 400 nm up to 700 nm, indicating sub-band gap state transitions originating from surface defects. Photoluminescence (PL) analysis demonstrates a significant enhancement in the PL intensity, attributed to an increased radiative recombination rate and higher STE density. The radiative kinetics and average lifetime are investigated by the time-resolved PL (TRPL) method; in addition, temperature-dependent PL measurements provide valuable insights into activation energy and exciton–phonon coupling strength. Our findings will not only deepen our understanding of charge carrier dynamics associated with STEs but also pave the way for the design of some promising perovskite materials for use in optoelectronics and photocatalysis.

1 aRahane, Swati, N.1 aRahane, Ganesh, K.1 aMandal, Animesh1 aJadhav, Yogesh1 aGodha, Akshat1 aRokade, Avinash1 aShah, Shruti1 aHase, Yogesh1 aWaghmare, Ashish1 aSaykar, Nilesh, G.1 aRoy, Anurag1 aSalgaonkar, Kranti, N.1 aDubal, Deepak1 aMakineni, Surendra, K.1 aDzade, Nelson, Y.1 aJadkar, Sandesh, R.1 aRondiya, Sachin, R. uhttps://library.ncl.res.in/content/lead-free-cs2agbicl6-double-perovskite-experimental-and-theoretical-insights-self-trapping02241nas a2200181 4500008004100000022001400041245006400055210006200119260000800181300001600189490000700205520166600212100001801878700002601896700002101922700002401943856009201967 2024 eng d a1144-054600aLinear poly(lactic acid) ionomers with pendant ionic groups0 aLinear polylactic acid ionomers with pendant ionic groups cDEC a20304-203160 v483 a

Although PLA is widely used, melt processing of this polymer is still a challenging task. In our efforts to improve the melt strength and processability of PLA, we report the synthesis of high molecular weight linear PLA ionomers. PLA copolymers (CP1-CP3) with pendant alkyne groups were synthesized by reacting L-lactide with propargylated lactide. The existence of copolymers with alkyne groups was unambiguously demonstrated, and the percentage of alkyne was found to be 3-7%. A click reaction protocol was developed to treat the resultant alkyne functionalized copolymers (CP1-CP3) with mercaptosuccinic acid (MSA) and pendant carboxylic acid group functionalized copolymers (CP1-MSA1 to CP3-MSA3) were obtained. The 1-2D NMR confirmed the formation of a major MSA bis-addition product, along with a minor mono-addition product. In the final step, the MSA functionalized copolymers were treated with sodium hydride (NaH) to obtain the corresponding linear PLA ionomers (CP1-MSA1-Na1 to CP3-MSA3-Na3). Significant improvement in thermal and melt rheological properties was observed in these ionomers, as compared to the precursor copolymer and unmodified PLA, due to the microstructural changes caused by the association of the ionic groups. Storage modulus (G `) and loss modulus (G `') values showed a substantial increase in melt elasticity of the ionomers with G ` > G `', whereas the unmodified PLA melt behaved like a viscoelastic liquid. Detailed investigation reveals that incorporating pendant ionic groups in a high molecular weight linear PLA remarkably enhances the elastic modulus from 10 to 100 000 Pa (four orders of magnitude).

1 aJoseph, Seena1 aMenon, Abhijith, Hari1 aLele, Ashish, K.1 aChikkali, Samir, H. uhttps://library.ncl.res.in/content/linear-polylactic-acid-ionomers-pendant-ionic-groups00896nas a2200241 4500008004100000245013800041210006900179260000800248490000700256653001400263653001800277100002200295700002200317700002400339700002600363700002600389700002600415700001900441700002600460700001800486700002200504856012800526 2024 eng d00aMitochondrial resilience and antioxidant defence against HIV-1: unveiling the power of Asparagus racemosus extracts and Shatavarin IV0 aMitochondrial resilience and antioxidant defence against HIV1 un cOCT0 v1510aIN-SILICO10aINHIBIT HIV-11 aJadaun, Pratiksha1 aHarshithkumar, R.1 aSeniya, Chandrabhan1 aGaikwad, Shraddha, Y.1 aBhoite, Shubhangi, P.1 aChandane-Tak, Madhuri1 aBorse, Swapnil1 aChavan-Gautam, Preeti1 aTillu, Girish1 aMukherjee, Anupam uhttps://library.ncl.res.in/content/mitochondrial-resilience-and-antioxidant-defence-against-hiv-1-unveiling-power-asparagus00967nas a2200265 4500008004100000022001400041245012000055210006900175260000900244490000700253653001900260653001900279653002400298653002800322653002300350100001600373700002800389700003400417700002800451700002500479700002000504700003000524700001900554856012800573 2024 eng d a1433-785100aMOFite: a high-density lithiophilic and scalable metal-organic framework anode for rechargeable lithium-ion battery0 aMOFite a highdensity lithiophilic and scalable metalorganic fram cOCT 0 v6310aconjugated MOF10aEnergy storage10alithium ion battery10aMetal-organic framework10ascalable synthesis1 aGaber, Safa1 aMohammed, Abdul, Khayum1 aJavaregowda, Bharathkumar, H.1 aMartinez, Jose, Ignacio1 aSanchez, Pilar, Pena1 aGandara, Felipe1 aKrishnamoorthy, Kothandam1 aShetty, Dinesh uhttps://library.ncl.res.in/content/mofite-high-density-lithiophilic-and-scalable-metal-organic-framework-anode-rechargeable02333nas a2200289 4500008004100000022001400041245007800055210006900133260000800202300001100210490000800221520142300229653001401652653002401666653002401690653002201714653003301736653002201769100001801791700001601809700002401825700002201849700002001871700002501891700002001916856010701936 2024 eng d a0141-813000aMulti-dimensional impact of captopril modification on human serum albumin0 aMultidimensional impact of captopril modification on human serum cAUG a1332890 v2743 a

Captopril is a thiol drug, widely used for the management of hypertension and cardiovascular diseases. Reactive thiols are found to covalently modify the cysteines of plasma proteins and affect their structure and function. Human serum albumin (HSA) is prone to undergo modification by various low molecular weight compounds, including drugs. Cysteine34 (Cys34) in HSA has a free thiol group with antioxidant properties, considered to be the most redox-sensitive amino acid in plasma. Through mass-spectrometric analysis, we demonstrate for the first time that captopril forms a disulfide adduct at Cys34 residue and increases the protease susceptibility of HSA to trypsin. As evidenced by our biophysical and electron microscopy studies, HSA undergoes structural alteration, aggregation and morphological changes when treated with different captopril concentrations. Molecular dynamics studies further revealed the regions of secondary structural changes in HSA due to disulfide adduct formation by captopril at Cys34. It also elucidated the residues involved in the noncovalent interactions with captopril. It is envisaged that structural change in HSA may influence the efficacy of drug delivery as well as its own biological function. These findings may thus provide significant insights into the field of pharmacology intriguing further investigation into the effects of long-term captopril treatment.

10aCaptopril10aElectron microscopy10aHuman serum albumin10aMass spectrometry10aMolecular dynamic simulation10aSpectrophotometry1 aGhosh, Amrita1 aJani, Vinod1 aSonavane, Uddhavesh1 aNaphade, Anvi, N.1 aJoshi, Rajendra1 aKulkarni, Mahesh, J.1 aGiri, Ashok, P. uhttps://library.ncl.res.in/content/multi-dimensional-impact-captopril-modification-human-serum-albumin02274nas a2200133 4500008004100000022001400041245016200055210006900217260000800286520167500294100002001969700002401989856012702013 2024 eng d a1520-610600aMulti-site red-edge excitation shift reveals the residue-specific solvation dynamics during the native to amyloid-like transition of an amyloidogenic protein0 aMultisite rededge excitation shift reveals the residuespecific s cDEC3 a

Changes in water-protein interactions are crucial for proteins to achieve functional and nonfunctional conformations during structural transitions by modulating local stability. Amyloid-like protein aggregates in deteriorating neurons are hallmarks of neurodegenerative disorders. These aggregates form through significant structural changes, transitioning from functional native conformations to supramolecular cross-beta-sheet structures via misfolded and oligomeric intermediates in a multistep process. However, the site-specific dynamics of water molecules from the native to misfolded conformations and further to oligomeric and compact amyloid structures remain poorly understood. In this study, we used the fluorescence method known as red-edge excitation shift (REES) to investigate the solvation dynamics at specific sites in various equilibrium conformations en route to the misfolding and aggregation of the functional domain of the TDP-43 protein (TDP-43tRRM). We generated three single tryptophan-single cysteine mutants of TDP-43tRRM, with the cysteines at different positions and tryptophan at a fixed position. Each sole cysteine was fluorescently labeled and used as a site-specific fluorophore along with the single tryptophan, creating four monitorable sites for REES studies. By investigating the site-specific extent of REES, we developed a residue-specific solvation dynamics map of TDP-43tRRM during its misfolding and aggregation. Our observations revealed that solvation dynamics progressively became more rigid and heterogeneous to varying extents at different sites during the transition from native to amyloid-like conformations.

1 aMore, Sonal, R.1 aJha, Santosh, Kumar uhttps://library.ncl.res.in/content/multi-site-red-edge-excitation-shift-reveals-residue-specific-solvation-dynamics-during02444nas a2200289 4500008004100000022001400041245014900055210006900204260000800273300001500281490000600296520142700302653002001729653002901749653001801778653004201796653001701838100002101855700002401876700001601900700002001916700002301936700002201959700002201981700002102003856013002024 2024 eng d a2365-654900aNew binary adducts of panobinostat with different carboxylic acid based NSAIDs: structural analysis and physicochemical properties investigation0 aNew binary adducts of panobinostat with different carboxylic aci cNOV ae2024035390 v93 a

Adoption of multitarget, cost-effective fixed-dose medication combinations can help lower the pill load without increasing the risk of adverse events. In this study, three new 1:1 drug-drug binary solid forms of panobinostat (PNB) and nonsteroidal anti-inflammatory drugs (NSAIDs) were effectively synthesized by liquid-assisted grinding and slow evaporation crystallization techniques. The obtained solid forms were extensively characterized by various analytical techniques. The structural investigation revealed that all molecular adducts formed salt with a comparable R42\${\textbackslashmathrm{R}}_4<\^>2\$(10) graph set pattern created by heteromeric interactions formed between PNB and corresponding salt formers. To determine the dissolving behavior of the newly developed adducts, solubility tests were performed at various pH levels (pH 1.2 and pH 7), and the results indicated that the solubility of all forms is increased at pH 7.0, particularly PNB.NIF has a solubility of 0.195 mg/mL, which is seven times higher than the parent drug. Furthermore, PXRD was used to assess the stability of the synthesized adduct at varied temperature and humidity levels and it was found that all the adducts are stable. Based on the findings, we hope that the newly found PNB drug-drug binary adducts have possible potential to broaden the use of drug combinations without changing the chemical structures.

10aDrug-drug salts10aHeteromeric interactions10aHydrogen bond10aNon-steroidal anti-inflammatory drugs10aPanobinostat1 aKenguva, Gowtham1 aRout, Smruti, Rekha1 aKar, Ananya1 aGiri, Lopamudra1 aShaikh, Tabrez, R.1 aJadab, Madhusmita1 aPal, Satyanarayan1 aDandela, Rambabu uhttps://library.ncl.res.in/content/new-binary-adducts-panobinostat-different-carboxylic-acid-based-nsaids-structural-analysis03081nas a2200325 4500008004100000022001400041245012700055210006900182260000800251300001200259490000800271520196900279653002702248653004002275653002202315653002002337653001502357653001702372653002902389653002902418653001302447100002502460700002902485700003202514700002502546700002102571700002202592700002002614856012102634 2024 eng d a0960-741200aOcimum kilimandscharicum 4CL11 negatively regulates adventitious root development via accumulation of flavonoid glycosides0 aOcimum kilimandscharicum 4CL11 negatively regulates adventitious cJUL a176-1960 v1193 a

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

10a4-Coumarate-CoA ligase10a7-O-bis-alpha-l-rhamnoside10aadventitious root10aauxin transport10aFlavonoids10akaempferol-310aOcimum kilimandscharicum10aquercetin-3-O-rutinoside10arootless1 aLavhale, Santosh, G.1 aKondhare, Kirtikumar, R.1 aSinthadurai, Veenothini, S.1 aBarvkar, Vitthal, T.1 aKale, Rutuja, S.1 aJoshi, Rakesh, S.1 aGiri, Ashok, P. uhttps://library.ncl.res.in/content/ocimum-kilimandscharicum-4cl11-negatively-regulates-adventitious-root-development01036nas a2200313 4500008004100000022001400041245011400055210006900169260000900238300001100247490000700258653001400265653001600279653003100295100001700326700001900343700001900362700002600381700002200407700001900429700002200448700002100470700002000491700002800511700001900539700002400558700002200582856011800604 2024 eng d a2352-152X00aPANI-grafted boron, nitrogen co-doped carbon fiber: An outstanding, high-performance supercapacitor electrode0 aPANIgrafted boron nitrogen codoped carbon fiber An outstanding h cAUG  a1126680 v9610aComposite10apolyaniline10aSolid-state supercapacitor1 aNayan, Rajiv1 aSinha, Shubhra1 aDixit, Vaibhav1 aSatnami, Manmohan, L.1 aGhosh, Kallol, K.1 aPervez, Shamsh1 aDeb, Manas, Kanti1 aShrivas, Kamlesh1 aRai, Manish, K.1 aYenchalwar, Sandeep, G.1 aWasnik, Kundan1 aJadkar, Sandesh, R.1 aKarbhal, Indrapal uhttps://library.ncl.res.in/content/pani-grafted-boron-nitrogen-co-doped-carbon-fiber-outstanding-high-performance02704nas a2200253 4500008004100000022001400041245012700055210006900182260000800251300001400259490000700273520183800280653002002118653002702138653002202165653001902187653002402206653001402230100002202244700002202266700001502288700002402303856012302327 2024 eng d a1948-719300aPathological mutations D169G and P112H electrostatically aggravate the amyloidogenicity of the functional domain of TDP-430 aPathological mutations D169G and P112H electrostatically aggrava cNOV a4267-42830 v153 a

Aggregation of TDP-43 is linked to the pathogenesis of many neurodegenerative diseases, including amyotrophic lateral sclerosis (ALS). Notably, electrostatic point mutations such as D169G and P112H, located within the highly conserved functional tandem RNA recognition motif (RRM) domains of the TDP-43 protein (TDP-43tRRM), have been identified in diseased patients as well. In this study, we address how the electrostatic mutations alter both the native state stability and aggregation propensity of TDP-43tRRM. The mutants D169G and P112H show increased chemical stability compared to the TDP-43tRRM at physiological pH. However, at low pH, both the mutants undergo a conformational change to form amyloid-like fibrils, though with variable rates-the P112H mutant being substantially faster than the other two sequences (TDP-43tRRM and D169G mutant) showing comparable rates. Moreover, among the three sequences, only the P112H mutant undergoes a strong ionic strength-dependent aggregability trend. These observations signify the substantial contribution of the excess charge of the P112H mutant to its unique aggregation process. Complementary simulated observables with atomistic resolution assign the experimentally observed sequence-, pH-, and ionic strength-dependent aggregability pattern to the degree of thermal lability of the mutation site-containing RRM1 domain and its extent of dynamical anticorrelation with the RRM2 domain whose combination eventually dictate the extent of generation of aggregation-prone partially unfolded conformational ensembles. Our choice of a specific charge-modulated pathogenic mutation-based experiment-simulation-combination approach unravels the otherwise hidden residue-wise contribution to the individual steps of this extremely complicated multistep aggregation process.

10aamyloid fibrils10aconformational changes10adisease mutations10aelectrostatics10aProtein aggregation10astability1 aPillai, Meenakshi1 aPatil, Anjali, D.1 aDas, Atanu1 aJha, Santosh, Kumar uhttps://library.ncl.res.in/content/pathological-mutations-d169g-and-p112h-electrostatically-aggravate-amyloidogenicity02627nas a2200277 4500008004100000022001400041245011400055210006900169260000800238300001400246490000700260520169300267653003001960653002401990653002002014653002002034653001902054653001702073100003202090700001902122700001702141700001702158700002802175700002302203856012302226 2024 eng d a2155-543500aPhotocatalytic regeneration of reactive cofactors with inP quantum dots for the continuous chemical synthesis0 aPhotocatalytic regeneration of reactive cofactors with inP quant cAPR a6740-67480 v143 a

The shuttling of redox-active nicotinamide cofactors between the light and dark cycles is the key to the continuous production of biomass in photosynthesis. The replication of such processes in artificial photosynthetic systems demands fast photoregeneration as well as simultaneous integration of these nicotinamide cofactors into the dark cycle. Here, we report the design of an artificial photosynthetic system for the continuous production of butanol via the constant photoregeneration and consumption of nicotinamide cofactors, powered by an indium phosphide quantum dot (InP QD) photocatalyst and alcohol dehydrogenase (ADH) enzyme, respectively. A strong electrostatic attraction between the oppositely charged InP QDs and electron mediators significantly enhanced the charge extraction and utilization processes, enabling a fast (similar to 30 min, with a turn over frequency of similar to 1333 h(-1)), quantitative (>99%), and selective photoregeneration of enzymatically active nicotinamide cofactors in the light cycle. These photoregenerated nicotinamide cofactors were further coupled in the dark cycle to trigger the ADH oxidoreductase enzyme for the production of butanol, via sequential as well as simultaneous light-dark cycles. The amount of butanol produced under simultaneous light-dark cycles was higher than the stoichiometric limit, proving the constant regeneration and consumption of nicotinamide cofactors in light and dark cycles, respectively. Thus, a proper design and integration of the InP QD-based photocatalytic cycle with the enzymatic cycle led to the effective electron shuttling between light and dark cycles, as seen in photosynthesis.

10aartificial photosynthesis10abiologicalcofactors10acharge transfer10aindiumphosphide10aPhotocatalysis10aquantum dots1 aChakraborty, Indra, Narayan1 aJain, Vanshika1 aRoy, Pradyut1 aKumar, Pawan1 aVinod, Chathakudath, P.1 aPillai, Pramod, P. uhttps://library.ncl.res.in/content/photocatalytic-regeneration-reactive-cofactors-inp-quantum-dots-continuous-chemical01954nas a2200169 4500008004100000022001400041245017500055210006900230260000900299300001400308490000700322520127100329100001801600700001901618700001901637856012801656 2024 eng d a1528-748300aPoly(N-vinylpyrrolidone)-assisted crystal growth of zeolitic imidazolate framework (ZIF-67) and electrochemical properties of its derivatives for flexible supercapacitors0 aPolyNvinylpyrrolidoneassisted crystal growth of zeolitic imidazo cAPR  a3179-31940 v243 a

A simple and explicit wet chemical method enables the room-temperature crystallization of the zeolitic imidazolate framework (ZIF-67) using cotton-cloth (CC) as a substrate; where time-dependent Avrami's kinetic studies demonstrated sluggish nucleation and fast crystal growth resulting in unprecedented morphologies-truncated cubes [synthesized without poly(N-vinylpyrrolidone); PVP], and rhombic dodecahedra (with PVP) with average sizes ranging from 500 nm to 1.41 mu m; wherein amphiphilic PVP plays a crucial function of structure directing agent by modulation of complex formation and deprotonation equilibria. To study the potential of pristine ZIF-67 (ZP0) and PVP-functionalized ZIF-67 (ZP50, ZP100, and ZP200) grown on the CC substrate for application as a flexible electrode in supercapacitors, ZP0, ZP50, ZP100, and ZP200 were annealed to form CZP0, CZP50, and CZP100, respectively. Areal capacitances of 181 and 214 mFcm(-2) were achieved at a current density of 1 mAcm(-2) and a potential window of 1.6 V for CZP0 and CZP100, respectively, and compared to the derivatives without PVP; CZP100 exhibited a superior energy density of 76.3 mu Whcm(-2) and a capacitance retention of 84.3% after 5000 cycles at a current density of 0.5 mAcm(-2).

1 aJain, Manisha1 aJoshi, Bhavana1 aPoddar, Pankaj uhttps://library.ncl.res.in/content/polyn-vinylpyrrolidone-assisted-crystal-growth-zeolitic-imidazolate-framework-zif-67-and02189nas a2200217 4500008004100000022001400041245013100055210006900186260000800255520140300263653001001666653001501676653002401691653001801715653002701733653001201760653002701772100002901799700002301828856012001851 2024 eng d a1618-954X00aPower generation with negative CO2 emissions through bio-electricity with CCS using dry co-gasification of coal-biomass blends0 aPower generation with negative CO2 emissions through bioelectric cSEP3 a

Among the measures proposed for decarbonization of electricity generation, large reductions in CO2 emissions are possible by the adoption of bio-electricity with carbon dioxide capture and sequestration. In the present study, thermodynamic analysis of a thermal power plant that produces electricity through co-gasification of high-ash coal and Casuarina equisetifola (CE), a crop which grows along the Indian coastline, and which is not in competition with other agricultural crops for land and water use, is considered for integrated gasification combined cycle (IGCC) with CO2 capture via oxyfuel combustion and gasification technology. The integrated power plant layout includes the energy required for CO2 gasification of coal, biomass blended fuel, air separation to produce oxygen for oxyfuel combustion as well as for purification and compression of the flue gas up to 30 bar. Simulation results show that a net efficiency of 37% can be achieved using high-ash Indian coal and CE blends up to 30% of the latter. Synergetic effect of co-gasification components is observed in mass, molar and thermal energy flowrates for biomass blended fuel. With the help of CCS, CO2 emissions are reduced to 69.91 gCO(2)/kWh for 100% coal-based IGCC-CC plant and further to -21.69 gCO(2)/kWh (negative CO2 emissions) for 30% biomass blending, thus paving way for CO2-negative power generation.

10aBECCS10aCombustion10aDry co-gasification10aIGCC-CC plant10aNegative CO2 emissions10aOxyfuel10aThermodynamic analysis1 aVasireddy, Satyam, Naidu1 aJayanti, Sreenivas uhttps://library.ncl.res.in/content/power-generation-negative-co2-emissions-through-bio-electricity-ccs-using-dry-co00704nas a2200169 4500008004100000022001400041245017100055210006900226260000800295300001400303490000700317100002600324700001600350700001900366700002000385856012900405 2024 eng d a1380-222400aPreparation and structural characterization of disordered Na-gallosilicate zeolite with natrolite framework and itsK+ and NH4+ exchanged analogues exchanged analogues0 aPreparation and structural characterization of disordered Nagall cOCT a1817-18250 v311 aGavhane, Manjusha, J.1 aJha, R., K.1 aNam, Kyung-Wan1 aBhange, Deu, S. uhttps://library.ncl.res.in/content/preparation-and-structural-characterization-disordered-na-gallosilicate-zeolite-natrolite03026nas a2200301 4500008004100000022001400041245017000055210006900225260000900294300001400303490000600317520195900323653001702282653002002299653001702319653001902336653003502355653003602390653002402426100002902450700002302479700001702502700001502519700001802534700001802552700003102570856012302601 2024 eng d a2574-096200aRemarkable SO2 and H2S resistant ability on CO oxidation by unique Pd/WO3 3D hollow sphere nanocatalyst: correlating structure-activity relationships on SO2 exposure0 aRemarkable SO2 and H2S resistant ability on CO oxidation by uniq cJAN  a1476-14870 v73 a

We report a simple inorganic route for synthesizing a Pd/WO3 3D hollow sphere nanocatalyst, where Pd nanoparticles are encapsulated and well distributed on porous tungsten oxide nanospheres. The synthesis protocol has advantages, as it requires no surfactant or stabilizing agent, Pd loading is easily tuned, and the as-synthesized nanomaterials can be directly used as catalysts for the CO oxidation reaction. The synthesized nanocatalyst exhibited 100% CO to CO2 conversion efficiency at 260 degrees C. In addition, the nanocatalyst demonstrated remarkable SO2 (3 ppm) tolerance during the CO oxidation reaction for prolonged SO2 sulfation of 1-21 h at 260-400 degrees C. This represents the longest SO2 exposure time reported to date based on a single metal Pd/support-based nanocatalyst. No decrement in CO conversion efficiency was observed even after SO2 (3 ppm) treatment for 21 h for the first time based on a single metal Pd-based nanocatalyst. Moreover, the synthesized nanocatalyst shows H2S (4 ppm), even in situ H2S tolerance during the CO oxidation reaction at 260 degrees C for 1-3 h and exhibited less sensitivity to prolonged and stringent sulfur exposure, with the highest H2S concentration and maximum 100% CO to CO2 conversion efficiency obtained after H2S treatment for the first time based on a Pd-based nanocatalyst to the best of our knowledge. The composition and structure of the R-Pd/WO3 nanocatalyst were not much influenced, even after the prolonged SO2 and H2S exposure during the CO oxidation reaction, as verified from spent catalyst analysis. Finally, our DFT-based model provides insights into understanding the observed sulfur resistance on Pd/WO3 by analyzing the underlying electronic structure. Therefore, our strategic synthesis methodology will open up many opportunities to select Pd/metal oxide-based nanomaterials for designing highly efficient, stable, and SO2/H2S-resistant nanocomposite catalyst.

10aCO oxidation10aDFT calculation10ananocatalyst10apalladium (Pd)10aSO2 andH(2)S resistant ability10astructure-activityrelationships10atungstenoxide (WO3)1 aJeyavani, Vijayakrishnan1 aKondhekar, Deepali1 aBhati, Meema1 aDev, Sahil1 aJoshi, Kavita1 aDevi, Nandini1 aMukherjee, Shatabdi, Porel uhttps://library.ncl.res.in/content/remarkable-so2-and-h2s-resistant-ability-co-oxidation-unique-pdwo3-3d-hollow-sphere00961nas a2200277 4500008004100000022001400041245011200055210006900167260000900236300001000245490000700255653001500262653001100277653003900288653003000327653004200357100002400399700002000423700001700443700002300460700001400483700001900497700002000516700002400536856012300560 2024 eng d a2045-232200aRenewable synthesis of MoO3 nanosheets via low temperature phase transition for supercapacitor application0 aRenewable synthesis of MoO3 nanosheets via low temperature phase cSEP  a205030 v1410aalpha-MoO310ah-MoO310aMixed phases (h and alpha) of MoO310aRenewable green synthesis10aVery low temperature phase transition1 aSankar, K., N. Amba1 aKesavan, Lokesh1 aSaha, Bikash1 aJyolsnaraj, M., K.1 aMohan, S.1 aNandakumar, P.1 aMohanta, Kallol1 aKvarnstroem, Carita uhttps://library.ncl.res.in/content/renewable-synthesis-moo3-nanosheets-low-temperature-phase-transition-supercapacitor01101nas a2200325 4500008004100000022001400041245015200055210006900207260000800276300001400284490000700298653001500305653001300320653002000333653001400353100002200367700001800389700002200407700002000429700001700449700002200466700001800488700001800506700001900524700003600543700001500579700002300594700003000617856012800647 2024 eng d a0897-475600aResorcinol-Azodianiline Covalent Organic Framework Supported FeOOH Quantum Dot-Catalyzed Electrochemical Ammonia Synthesis under Ambient Conditions0 aResorcinolAzodianiline Covalent Organic Framework Supported FeOO cAUG a8229-82380 v3610aconversion10anitrogen10aRecent Progress10areduction1 aShekhar, Pragalbh1 aKosugi, Kento1 aSingh, Himan, Dev1 aKushwaha, Rinku1 aRase, Deepak1 aMatsuzaki, Takumi1 aJain, Chitvan1 aSingh, Piyush1 aSingh, Yashraj1 aVinod, Chathakudath, Prabhakara1 aKondo, Mio1 aMasaoka, Shigeyuki1 aVaidhyanathan, Ramanathan uhttps://library.ncl.res.in/content/resorcinol-azodianiline-covalent-organic-framework-supported-feooh-quantum-dot-catalyzed02272nas a2200289 4500008004100000022001400041245009400055210006900149260000900218490000700227520134800234653003101582653002001613653002701633653001601660653002101676100001901697700001501716700001901731700001501750700001601765700002101781700002101802700002101823700002101844856011701865 2024 eng d a0947-653900aRobust spin liquidity in 2D metal-organic framework Cu3 (HHTP)2 with S=1/2 kagome lattice0 aRobust spin liquidity in 2D metalorganic framework Cu3 HHTP2 wit cJAN 0 v303 a

On one hand electron or hole doping of quantum spin liquid (QSL) may unlock high-temperature superconductivity and on the other hand it can disrupt the spin liquidity, giving rise to a magnetically ordered ground state. Recently, a 2D MOF, Cu-3(HHTP)(2) (HHTP - 2,3,6,7,10,11-hexahydroxytriphenylene), containing Cu(II) S = 1/2 frustrated spins in the Kagome lattice is emerging as a promising QSL candidate. Herein, we present an elegant in situ redox-chemistry strategy of anchoring Cu-3(HHTP)(2) crystallites onto diamagnetic reduced graphene oxide (rGO) sheets, resulting in the formation of electron-doped Cu-3(HHTP)(2)-rGO composite which exhibited a characteristic semiconducting behavior (5 K to 300 K) with high electrical conductivity of 70 S . m(-1) and a carrier density of similar to 1.1 x 10(18) cm(-3) at 300 K. Remarkably, no magnetic transition in the Cu-3(HHTP)(2)-rGO composite was observed down to 1.5 K endorsing the robust spin liquidity of the 2D MOF Cu-3(HHTP)(2). Specific heat capacity measurements led to the estimation of the residual entropy values of 28 % and 34 % of the theoretically expected value for the pristine Cu-3(HHTP)(2) and Cu-3(HHTP)(2)-rGO composite, establishing the presence of strong quantum fluctuations down to 1.5 K (two times smaller than the value of the exchange interaction J).

10a2D Metal-organic Framework10aElectron doping10aReduced graphene oxide10aSpin Liquid10aSpin-frustration1 aNinawe, Pranay1 aJain, Anil1 aSangole, Mayur1 aAnas, Mohd1 aUgale, Ajay1 aMalik, Vivek, K.1 aYusuf, Seikh, M.1 aSingh, Kirandeep1 aBallav, Nirmalya uhttps://library.ncl.res.in/content/robust-spin-liquidity-2d-metal-organic-framework-cu3-hhtp2-s12-kagome-lattice02155nas a2200205 4500008004100000022001400041245011300055210006900168260000900237300001400246490000600260520141100266100002601677700002501703700002501728700002701753700002101780700002301801856012501824 2024 eng d a2058-988300aScaling-up continuous production of mesoporous silica particles at kg scale: design & operational strategies0 aScalingup continuous production of mesoporous silica particles a cJUN  a1914-19230 v93 a

This paper demonstrates a continuous flow pilot-scale production of highly porous mesoporous silica particles (MSPs) via a soft template based technique. The study presents pilot scale reactor design, fabrication and production of mesoporous silica particles with a 1 kg per day production rate. The extent of mixing and overall performance of the system were evaluated by conducting a hydrodynamic study, including the estimation of the heat transfer coefficient and dispersion number. Nanoparticle synthesis in a clogging-free manner is the key challenge in moving towards large scale production and commercial applications. This article presents a comprehensive study on the effect of key parameters for successful scaling up of the process. We have also addressed challenges faced and how these are overcome by troubleshooting the process. Different strategies were used to prevent the clogging of the reactor, which involved reactant dilution, periodic pulsation and slug flow (two phase flow). Among them, slug flow allows us to operate the reactor continuously for several hours without clogging and wall-deposition problems. It helped produce morphologically well-defined and near-monodisperse particles. With this process, the production is validated at a scale of 85 times compared to that of a laboratory system (from 22 mL to >1.5 L), enabling a production rate of 20-50 g h(-1).

1 aJundale, Rajashri, B.1 aSonawane, Jayesh, R.1 aPalghadmal, Anil, V.1 aJaiswal, Hemant, Kumar1 aDeore, Hital, S.1 aKulkarni, Amol, A. uhttps://library.ncl.res.in/content/scaling-continuous-production-mesoporous-silica-particles-kg-scale-design-operational02072nas a2200145 4500008004100000245015300041210006900194260000800263490000600271520144600277100002501723700002401748700002501772856012901797 2024 eng d00aSelective oxidation of biomass derived 5-hydroxymethylfurfural (HMF) to 2,5-diformylfuran (DFF) over spent dry cell battery cathode material (BCM-2)0 aSelective oxidation of biomass derived 5hydroxymethylfurfural HM cNOV0 v23 a

Widespread use of batteries across the globe generates a huge amount of waste. This work is the first to report spent dry cell (Zn-Carbon) battery cathode material (BCM-2) as a heterogeneous catalyst for selective synthesis of fine chemical 2,5-diformylfuran (DFF). Cathode material was easily separated from spent batteries, and acid leached followed by calcination to obtain black powder that was denoted as BCM-2. The catalyst was characterized using various techniques such as P-XRD, EDAX, SEM, HR-TEM, TGA, XPS, and BET analysis. Superior catalytic activity was shown by the catalyst for selective formation of DFF using molecular O2 as a sole oxidant. The catalyst was found to give excellent HMF conversion of 97% with 98% high selectivity of DFF. The BCM-2 catalyst was easily recycled and reused without any significant loss in its catalytic activity. This is one of the best examples for a sustainable, cost-effective, and highly efficient catalytic system for the synthesis of the value-added chemical DFF.

1 aGhadge, Sambhaji, S.1 aBankar, Shubham, R.1 aJadhav, Vrushali, H. uhttps://library.ncl.res.in/content/selective-oxidation-biomass-derived-5-hydroxymethylfurfural-hmf-25-diformylfuran-dff-over02492nas a2200193 4500008004100000022001400041245016000055210006900215260000800284300001400292490000700306520172000313100002402033700003402057700002502091700002002116700003002136856013202166 2024 eng d a0024-929700aShuttle balance between lithiophilic functionalities substituted on conjugated polymers to improve lithium-ion diffusion and cycling stability of batteries0 aShuttle balance between lithiophilic functionalities substituted cAUG a7830-78400 v573 a

Herein, we report the design and synthesis of i-Indigo and trans-1,2-di(2-thienyl)ethylene (TVT) comprising copolymers with various side chains that are used as anode-cum-binder in Li-ion batteries. The TVT disrupts the crystallinity, and the i-Indigo renders the handle for unsymmetrical substitution. Polymer P1 comprises alkyl chains on i-Indigo, whereas P2 comprises an alkyl chain and a chain with a urethane moiety as another side chain. Polymer P3 comprises i-Indigo with a urethane moiety and triethylene glycol as side chains. The i-Indigo in P4 is substituted with triethylene glycol and alkyl chains as side chains. These polymers were found to be amorphous with pi-pi stacking due to the extremely small torsional angle imparted by TVT moieties. All of these polymers showed comparable specific capacity while used as an anode in Li-ion batteries due to the presence of a common conjugated backbone. However, the battery metrics varied significantly while the current density of the batteries varied between 0.1 and 2.0 A g(-1). P1 and P2 showed a very close recovery of specific capacity at 0.1 A g(-1) before and after various current densities. However, polymers P3 and P4 did not recover from the specific capacity fading due to the presence of triethylene glycol side chain that degraded. Polymer P2 with an alkyl side chain and a chain with a urethane moiety showed stable performance over 2000 charge-discharge cycles. Contrary to this, the stability of polymers with triethylene glycol side chains decreased over 2000 charge-discharge cycles. Polymer P2 with a urethane side chain also showed improved Li-ion diffusion because the urethane moiety facilitated better Li-ion transport.

1 aKargude, Radhakisan1 aJavaregowda, Bharathkumar, H.1 aPalani, Sathishkumar1 aSingh, Anup, K.1 aKrishnamoorthy, Kothandam uhttps://library.ncl.res.in/content/shuttle-balance-between-lithiophilic-functionalities-substituted-conjugated-polymers-improve01655nas a2200193 4500008004100000022001400041245010800055210006900163260000800232490000800240520099200248653000801240653001201248653000801260653002601268100002001294700001801314856012901332 2024 eng d a1093-326300aSingle-atom alloys of Cu(211) with earth-abundant metals for enhanced activity towards CO2 dissociation0 aSingleatom alloys of Cu211 with earthabundant metals for enhance cJAN0 v1263 a

CO2, a byproduct from various industrial reactions, must not be released into the atmosphere and should be managed through capture, conversion, and utilization. The first step in converting CO2 into valuable products is to break the C-O bond. This work focuses on designing Single Atom Catalysts (SACs) by doping Cu(211) surface with 13 different s, p, and d block elements with an aim to minimize the activation barrier for C-O bond cleavage. Our work demonstrates that SACs of Mg/Al/Pt@Cu(211) favor CO2 chemisorption compared to Cu(211) where CO2 physisorbs. The barrier for CO2 dissociation is lowest for Mg@Cu(211) and it increases in the order Mg@Cu(211) < Al@Cu(211) < Pt@Cu(211) < Zn@Cu(211) < Ga@Cu(211) < Cu@Cu(211) < Pd@Cu(211). These findings suggest that doping Cu(211) with earth-abundant metal like Mg can potentially be a viable catalyst for CO2 conversion, providing a promising solution to reduce carbon footprint and mitigate climate change.

10aCO210aCu(211)10aDFT10aSingle atom catalysts1 aThakkar, Kavita1 aJoshi, Kavita uhttps://library.ncl.res.in/content/single-atom-alloys-cu211-earth-abundant-metals-enhanced-activity-towards-co2-dissociation02302nas a2200229 4500008004100000022001400041245012500055210006900180260000800249490000700257520147900264653001901743653002201762653002001784653003601804653002301840100001701863700002601880700002401906700001701930856012501947 2024 eng d a1439-423500aSize and morphology dependent activity of Cu clusters for CO2 activation and reduction: a first principles investigation0 aSize and morphology dependent activity of Cu clusters for CO2 ac cDEC0 v253 a

Various Cu-based materials in diverse forms have been investigated as efficient catalysts for electrochemical reduction of CO2; however, they suffer from issues such as higher over potential and poor selectivity. The activity and selectivity of CO2 electro reduction have been shown to change significantly when the surface morphology (steps, kinks, and edges) of these catalysts is altered. In light of this, size and morphology dependent activity of selected copper clusters, Cun (n=2-20) have been evaluated for the activation and reduction of CO2 molecule. The phase-space of these copper clusters is rich in conformations of distinct morphologies starting from planar, 2D geometries to prolate-shaped geometries and also high-symmetry structures. The binding efficiency and the activation of CO2 are highest for medium sized clusters (n=9-17) with prolate-morphologies as compared to small or larger sized CunCO(2) clusters that are existing mainly as planar (triangular, tetragonal etc.) or highly-symmetric geometries (icosahedron, capped-icosahedron etc.), respectively. The best performing (prolate-shaped) CunCO2 conformations are quite fluxional and also they are thermally stable, as demonstrated by the molecular dynamics simulations. Furthermore, on these CunCO(2) conformations, the step-by-step hydrogenation pathways of CO2 to produce value-added products like methanol, formic acid, and methane are exceptionally favorable and energy-efficient.

10aCO2 activation10aCO2 hydrogenation10aCopper clusters10aDensity Functional Theory (DFT)10amolecular dynamics1 aAmin, Seerat1 aKrishnamurty, Sailaja1 aDar, Manzoor, Ahmad1 aJoshi, Krati uhttps://library.ncl.res.in/content/size-and-morphology-dependent-activity-cu-clusters-co2-activation-and-reduction-first02676nas a2200229 4500008004100000022001400041245007700055210006900132260000800201300001400209490000700223520189800230653003402128653003002162653001902192653003902211653003302250100001902283700001902302700001802321856010702339 2024 eng d a0360-319900aSolid state hydrogen storage: Decoding the path through machine learning0 aSolid state hydrogen storage Decoding the path through machine l cJAN a1518-15280 v503 a

We present a machine learning (ML) framework HEART (HydrogEn storAge propeRty predicTor) for identifying suitable families of metal alloys for hydrogen storage under ambient conditions. Our framework includes two ML models that predict the hydrogen storage capacity (HYST) and the enthalpy of hydride formation (THOR) of multi-component metal alloys. We demonstrate that a chemically diverse set of features effectively describes the hydrogen storage properties of the alloys. In HYST, we use absorption temperature as a feature which improved H2wt% prediction significantly. For out-of-the-bag samples, HYST predicted H2wt% with R2 score of 0.81 and mean absolute error (MAE) of 0.45 wt% whereas R2 score is 0.89 and MAE is 4.53 kJ/molH2 for THOR. These models are further employed to predict H2wt% and Delta H for similar to 6.4 million multi-component metal alloys. We have identified 6480 compositions with superior storage properties (H2wt% > 2.5 at room temperature and Delta H < 60 kJ/molH2). We have also discussed in detail the interesting trends picked up by these models like temperature dependent variation in the rate of hydrogenation and alloying effect on H2wt% and Delta H in different families of alloys. Importantly certain elements like Al, Si, Sc, Cr, and Mn when mixed in small fractions with hydriding elements like Mg, Ti, V etc. systematically reduce Delta H without significantly compromising the storage capacity. Further upon increasing the number of elements in the alloy i.e from binary to ternary to quaternary, the number of compositions with lower enthalpies also increases. From the 6.4 million compositions, we have reported new alloy families having potential for hydrogen storage at room temperature. Finally, we demonstrate that HEART has the potential to scan vast chemical spaces by narrowing down potential materials for hydrogen storage.

10aEnthalpy of hydride formation10aHydrogen storage capacity10aMetal hydrides10aPredictive machine learning models10aSolid-state hydrogen storage1 aVerma, Ashwini1 aWilson, Nikhil1 aJoshi, Kavita uhttps://library.ncl.res.in/content/solid-state-hydrogen-storage-decoding-path-through-machine-learning00836nas a2200229 4500008004100000022001400041245011000055210006900165260000900234300001400243490000700257653001700264653003400281100002600315700002200341700001900363700002700382700002400409700002500433700002200458856012600480 2024 eng d a2155-543500aSolvent-free hydroxylation of unactivated C-H bonds in small molecules and macromolecules by a Fe complex0 aSolventfree hydroxylation of unactivated CH bonds in small molec cAPR  a7173-71810 v1410aBall milling10asolid-state C-H hydroxylation1 aChatterjee, Debasmita1 aSajeevan, Amritha1 aJana, Sandipan1 aBirajdar, Rajkumar, S.1 aChikkali, Samir, H.1 aSivaram, Swaminathan1 aGupta, Sayam, Sen uhttps://library.ncl.res.in/content/solvent-free-hydroxylation-unactivated-c-h-bonds-small-molecules-and-macromolecules-fe02556nas a2200253 4500008004100000022001400041245010300055210007000158260000800228300001200236490000700248520172200255653002301977653003102000653002602031653000902057653001802066653002102084653002002105100002502125700001802150700002002168856011402188 2024 eng d a0887-358500aState-dependent dynamics of extramembrane domains in the β2-adrenergic receptor0 aStatedependent dynamics of extramembrane domains in the iβisub2s cMAR a317-3280 v923 a

G protein-coupled receptors (GPCRs) are membrane-bound signaling proteins that play an essential role in cellular signaling processes. Due to their intrinsic function of transmitting internal signals in response to external cues, these receptors are adapted to be highly dynamic in nature. The beta(2)-adrenergic receptor (beta 2AR) is a representative member of the family that has been extensively analyzed in terms of its structure and activation. Although the structure of the transmembrane domain has been characterized in the different functional states of the receptor, the conformational dynamics of the extramembrane domains, especially the intrinsically disordered regions are still emerging. In this study, we analyze the state-dependent dynamics of extramembrane domains of beta(2)AR using atomistic molecular dynamics simulations. We introduce a parameter, the residue excess dynamics that allows us to better quantify receptor dynamics. Using this measure, we show that the dynamics of the extramembrane domains are sensitive to the receptor state. Interestingly, the ligand-bound intermediate R' state shows the maximal dynamics compared to either the active R*G or inactive R states. Ligand binding appears to be correlated with high residue excess dynamics that are dampened upon G protein coupling. The intracellular loop-3 (ICL3) domain has a tendency to flip towards the membrane upon ligand binding, which could contribute to receptor ``priming.'' We highlight an important ICL1-helix-8 interplay that is broken in the ligand-bound state but is retained in the active state. Overall, our study highlights the importance of characterizing the functional dynamics of the GPCR loop domains.

10aallosteric pathway10abeta-2 adrenergic receptor10aextramembrane domains10aGPCR10aloop dynamics10aprotein dynamics10aprotein network1 aNikte, Siddhanta, V.1 aJoshi, Manali1 aSengupta, Durba uhttps://library.ncl.res.in/content/state-dependent-dynamics-extramembrane-domains-%CE%B22-adrenergic-receptor02670nas a2200361 4500008004100000022001400041245023500055210007000290260000800360300001000368490000800378520138500386653002601771653002601797653001501823653002501838653001501863653001501878100001701893700001701910700002401927700002001951700001801971700001801989700002702007700003102034700003002065700002002095700001802115700001602133700002502149856013402174 2024 eng d a0168-165600aSustainable bioprocess technology for producing food-flavour (+)-γ-decalactone from castor oil-derived ricinoleic acid using enzymatic activity of Candida parapsilosis: Scale-up optimization and purification using novel composite0 aSustainable bioprocess technology for producing foodflavour γdec cSEP a17-300 v3933 a

Ricinoleic acid (RA) from castor oil was employed in biotransformation of peach-flavoured gamma-decalactone (GDL), using a Candida parapsilosis strain (MTCC13027) which was isolated from waste of pineapple crown base. Using four variables-pH, cell density, amount of RA, and temperature-the biotransformation parameters were optimized using RSM and BBD. Under optimized conditions (pH 6, 10 % of microbial cells, 10 g/L RA at 28 degrees C), the conversion was maximum and resulted to 80 % (+)-GDL (4.4 g/L/120 h) yield in shake flask (500 mL). Furthermore, optimization was achieved by adjusting the aeration and agitation parameters in a 3 L bioreactor, which were then replicated in a 10 L bioreactor to accurately determine the amount of (+)-GDL. In bioreactor condition, 4.7 g/L (>85 %) of (+)-GDL is produced with 20 % and 40 % dissolved oxygen (1.0 vvm) at 150 rpm in 72 h and 66 h, respectively. Further, a new Al-Mg-Ca-Si composite column-chromatography method is developed to purify enantiospecific (+)-GDL (99.9 %). This (+)-GDL is 100 % nature-identical as validated through 14C-radio-carbon dating. Thorough chemical investigation of enantiospecific (+)-GDL is authenticated for its use as flavour. This bioflavour has been developed through a cost-effective biotechnological process in response to the demand from the food industry on commercial scale.

10a(+)-gamma-Decalactone10aAl-Mg-Ca-Si composite10aBioflavour10aCandida parapsilosis10acastor oil10aFood-waste1 aSyed, Naziya1 aSingh, Suman1 aChaturvedi, Shivani1 aKumar, Prashant1 aKumar, Deepak1 aJain, Abhinav1 aSharma, Praveen, Kumar1 aNannaware, Ashween, Deepak1 aChanotiya, Chandan, Singh1 aBhambure, Rahul1 aKumar, Pankaj1 aKalra, Alok1 aRout, Prasant, Kumar uhttps://library.ncl.res.in/content/sustainable-bioprocess-technology-producing-food-flavour-%CE%B3-decalactone-castor-oil-derived02430nas a2200277 4500008004100000022001400041245014100055210006900196260000800265300001100273490000800284520148100292653001501773653001301788653001801801653003301819653002101852653001501873100002501888700001901913700002401932700002301956700002501979700002102004856012702025 2024 eng d a0278-691500aSWATH-MS reveals that bisphenol A and its analogs regulate pathways leading to disruption in insulin signaling and fatty acid metabolism0 aSWATHMS reveals that bisphenol A and its analogs regulate pathwa cJUN a1146670 v1883 a

Bisphenol A (BPA) is an endocrine-disrupting chemical (EDC), associated with obesity and insulin resistance. The FDA prohibited the use of BPA-based polycarbonate resins in infant formula packaging; thus, its analogs, viz. Bisphenol S (BPS) and Bisphenol F (BPF) were considered alternatives in epoxy resins, plastics, and food cans. As these analogs might evoke a similar response, we investigated the role of Bisphenols (BPA, BPF, and BPS), on insulin signaling in CHO-HIRc-myc-GLUT4eGFP cells at environmentally relevant concentrations of 2 nM and 200 nM. Insulin signaling demonstrated that Bisphenols reduced phosphorylation of IR and AKT2, GLUT4 translocation, and glucose uptake. This was accompanied by increased oxidative stress. Furthermore, SWATHMS-based proteomics of 3T3-L1 cells demonstrated that Bisphenol-treated cells regulate proteins in insulin resistance, adipogenesis, and fatty acid metabolism pathways differently. All three Bisphenols induced differentially expressed proteins enriched similar pathways, although their abundance differed for each Bisphenol. This might be due to their varying toxicity level, structural differences, and estrogen-mimetic activity. This study has important implications in addressing health concerns related to EDCs. Given that the analogs of BPA are considered alternatives to BPA, the findings of this study suggest they are equally potent in altering fatty acid metabolism and inducing insulin resistance.

10aBisphenols10aEstrogen10aLipid droplet10aMitochondrial beta-oxidation10aOxidative stress10aPPAR gamma1 aKulsange, Shabda, E.1 aSharma, Monika1 aSonawane, Babasaheb1 aJaiswal, Meera, R.1 aKulkarni, Mahesh, J.1 aSanthakumari, B. uhttps://library.ncl.res.in/content/swath-ms-reveals-bisphenol-and-its-analogs-regulate-pathways-leading-disruption-insulin03587nas a2200181 4500008004100000245015100041210006900192260000800261300001600269490000600285520287600291100001603167700001803183700002903201700002603230700002003256856012903276 2024 eng d00aSynergistic combination of ZnCl2/Cu-BTC MOF for the photocatalytic oxidative deamination of benzylamines using CO2 under visible-light irradiation0 aSynergistic combination of ZnCl2CuBTC MOF for the photocatalytic cJUL a2095–21010 v23 a

This paper demonstrates the first CO2-mediated oxidative deamination of benzylamines to benzaldehydes using a combination of ZnCl2 and Cu-BTC MOF as photocatalysts in a carbon tetrachloride solvent under visible-light irradiation. Interestingly, the synergistic combination of ZnCl2 and Cu-BTC afforded the targeted oxidation of benzylamine to benzaldehyde, wherein CO2 acted as an oxidant. The individual components yielded the corresponding imine as the main product, resulting from the oxidative coupling of the benzylamine. DFT calculations and computational studies supported the proposed reaction pathways involving the formation of an intermediate imine from benzylamine via dehydrogenation followed by hydrolysis to produce benzaldehyde. This work, demonstrating the use of CO2 as an oxidant, may open up new avenues for CO2 utilization in chemical production by using sustainable light energy.

1 aKumar, Amod1 aBhatt, Sakshi1 aSamal, Pragnya, Paramita1 aKrishnamurty, Sailaja1 aJain, Suman, L. uhttps://library.ncl.res.in/content/synergistic-combination-zncl2cu-btc-mof-photocatalytic-oxidative-deamination-benzylamines00945nas a2200253 4500008004100000022001400041245013300055210006900188260000900257300001600266490000700282653001700289653003200306653003400338100003400372700002400406700002100430700002300451700002600474700002100500700002300521700003000544856011700574 2024 eng d a1944-824400aSynergistic effect of lactam and pyridine nitrogen on polysulfide chemisorption and electrocatalysis in lithium sulfur batteries0 aSynergistic effect of lactam and pyridine nitrogen on polysulfid cAUG  a42059-420680 v1610aLi-S battery10aphenyl-diketopyrrolopyrrole10apyridine-diketopyrrolopyrrole1 aJavaregowda, Bharathkumar, H.1 aKargude, Radhakisan1 aBirajdar, Sarika1 aShivankar, Bhavana1 aKrishnamurty, Sailaja1 aJones, Lathe, A.1 aCaruso, Rachel, A.1 aKrishnamoorthy, Kothandam uhttps://library.ncl.res.in/content/synergistic-effect-lactam-and-pyridine-nitrogen-polysulfide-chemisorption-and01262nas a2200397 4500008004100000022001400041245011900055210006900174260000900243490000700252653001400259653001600273653001100289653000900300100001700309700002400326700002600350700000500376700001800381700002000399700002600419700002100445700002700466700002400493700002500517700002600542700001900568700001800587700002400605700002600629700002000655700002000675700002000695700001800715856013100733 2024 eng d a2451-929400aSynergistic humidity-responsive mechanical motion and proton conductivity in a cationic covalent organic framework0 aSynergistic humidityresponsive mechanical motion and proton cond cAUG 0 v1010aACTUATORS10aCrystalline10aDRIVEN10aSOFT1 aDas, Gobinda1 aShinde, Dhanraj, B.1 aMelapurakkal, Amrutha1 a1 aGarai, Bikash1 aBazin, Philippe1 aBlal, Abdelhafid, Ait1 aBenyettou, Farah1 aPrakasam, Thirumurugan1 aHalim, Rasha, Abdul1 aIbrahim, Fayrouzabou1 aSharma, Sudhir, Kumar1 aVarghese, Sabu1 aWeston, James1 aJagannathan, Ramesh1 aAddicoat, Matthew, A.1 aGandara, Felipe1 aOlson, Mark, A.1 aEl-Roz, Mohamad1 aTrabolsi, Ali uhttps://library.ncl.res.in/content/synergistic-humidity-responsive-mechanical-motion-and-proton-conductivity-cationic-covalent00993nas a2200289 4500008004100000022001400041245012000055210006900175260001100244300001600255490000700271653001400278653001300292653000700305653001700312653002800329100002500357700002800382700002000410700002600430700002700456700002200483700002500505700002200530700002100552856013000573 2024 eng d a2050-748800aSynthesis of Hofmann-based metal-organic frameworks incorporating a bis-pyrazole linker for various gas separations0 aSynthesis of Hofmannbased metalorganic frameworks incorporating  cJUN 25 a15106-151140 v1210aacetylene10aC2H2/CH410aNi10aPurification10aSPIN-CROSSOVER BEHAVIOR1 aMatthews, Brooke, L.1 aHarvey-Reid, Nathan, C.1 aJangodaz, Elnaz1 aScott, Victoria-Jayne1 aPolson, Matthew, I. J.1 aMaibam, Ashakiran1 aBabaRao, Ravichandar1 aTelfer, Shane, G.1 aKruger, Paul, E. uhttps://library.ncl.res.in/content/synthesis-hofmann-based-metal-organic-frameworks-incorporating-bis-pyrazole-linker-various02608nas a2200157 4500008004100000245008700041210006900128260000800197300001400205490000700219520209600226100001702322700002202339700002502361856006402386 2024 eng d00aSynthesis of pyrazole and 1,3,4-oxadiazole derivatives of pharmaceutical potential0 aSynthesis of pyrazole and 134oxadiazole derivatives of pharmaceu cAug a127–1350 v223 a

Heterocyclic compounds are important molecules that serve as scaffolds or linkers for the core structure of numerous drug substances. In particular, pyrazole and 1,3,4-oxadiazole are compounds of great interest due to their comprehensive biological activities and interesting structural features. Here, we described an efficient and economical synthetic route leading to N-phenyl substituted pyrazole and 1,3,4-oxadiazole derivatives. Retrosynthetic disconnective analysis showed that the N-phenyl substituted pyrazole can be obtained from chalcone, accessible from the respective aldehyde, and acetophenone. The disubstituted 1,3,4-oxadiazole can be constructed from the respective aldehyde, which originates from pyrrole-containing compound, and formyl chloride. Based on our retrosynthetic analysis, N-phenyl substituted pyrazole was obtained by cyclization of the respective chalcone with phenylhydrazine to give pyrazoline which was in turn converted into pyrazole by oxidative aromatization. Potassium carbonate and a catalytic amount of molecular iodine were used to oxidatively cyclize semicarbazones into 1,3,4-oxadiazoles in a transition metal-free process. Novel pyrazole and 1,3,4-oxadiazoles with potential biological activity are investigated as antituberculosis, anticonvulsant, antidiabetic, anticancer, and tyrosinase inhibitory agents.

1 aKadam, Mayur1 aJadhao, Nitin, L.1 aGajbhiye, Jayant, M. uhttps://prospects.wum.edu.pl/index.php/pps/article/view/23501605nas a2200301 4500008004100000245009700041210006900138260000800207300001100215490000700226520064600233653001700879653001500896653001200911653001400923653001400937100002200951700002300973700002500996700002401021700002301045700002601068700002201094700002501116700001601141700001801157856012801175 2024 eng d00aSynthesized novel chromogenic reagent and sensor: detection and identification of dichlorvos0 aSynthesized novel chromogenic reagent and sensor detection and i cMAY ae312170 v103 a

We developed a novel chromogenic reagent and sensor by selective approach, for the detection and identification of dichlorvos, which we tested with the thin layer chromatography method. For the first time, we reported in situ-generated glyoxal as a hydrolysis product, which then interacts with isoniazid to produce a yellow-colored cyclic compound. We used well-known spectroscopic techniques to confirm the chemical identity of the final product. We initially investigated the reaction using a variety of approaches, followed by attempts to establish the reaction mechanism using Density Functional Theory by Gaussian software.

10aDFT analysis10aDichlorvos10aGloyxal10aHydrazone10aIsoniazid1 aGedam, Ashwin, D.1 aKatiya, Manish, M.1 aDhonde, Madhukar, G.1 aGanorkar, Kapil, S.1 aThakare, Vijay, J.1 aMandlik, Prashant, R.1 aJadhao, Nitin, L.1 aGajbhiye, Jayant, M.1 aKumar, Ravi1 aVaval, Nayana uhttps://library.ncl.res.in/content/synthesized-novel-chromogenic-reagent-and-sensor-detection-and-identification-dichlorvos00931nas a2200265 4500008004100000022001400041245011100055210007000166260000800236490000700244653001600251653001500267653002100282100002400303700002600327700002100353700002300374700002600397700002600423700002200449700002300471700001900494700002600513856012600539 2024 eng d a2192-650600aTemperature-controlled hydrothermal synthesis of α-MnO2 nanorods for catalytic oxidation of cyclohexanone0 aTemperaturecontrolled hydrothermal synthesis of αMnO2 nanorods f cJUL0 v8910aAdipic Acid10aconversion10aMANGANESE OXIDES1 aJha, Ratnesh, Kumar1 aManikandan, Marimuthu1 aPrabu, Marimuthu1 aVineeth, Nidhi, R.1 aDharmalingam, Praveen1 aArchana, Ramakrishnan1 aHarsha, Murudappa1 aShankar, Sonu, Ram1 aBhatte, Kushal1 aRaja, Thirumalaiswamy uhttps://library.ncl.res.in/content/temperature-controlled-hydrothermal-synthesis-%CE%B1-mno2-nanorods-catalytic-oxidation01164nas a2200349 4500008004100000022001400041245011500055210006900170260000900239300001600248490000800264653002600272653002400298653001700322653002100339100001600360700001300376700002200389700002800411700002300439700001900462700001800481700001800499700002600517700002400543700003000567700002000597700002500617700002200642700002500664856012500689 2024 eng d a0002-786300aTrapping an elusive Fe(IV)-superoxo intermediate inside a self-assembled nanocage in water at room temperature0 aTrapping an elusive FeIVsuperoxo intermediate inside a selfassem cJUL  a21729-217410 v14610aCATALYTIC EPOXIDATION10aDIOXYGEN ACTIVATION10aNONHEME IRON10aX-RAY-ABSORPTION1 aGera, Rahul1 aDe, Puja1 aSingh, Kundan, K.1 aJannuzzi, Sergio, A. V.1 aMohanty, Aisworika1 aVelasco, Lucia1 aKumar, Pankaj1 aMarco, J., F.1 aNagarajan, Kalaivanan1 aPecharroman, Carlos1 aRodriguez-Pascual, P., M.1 aDeBBeer, Serena1 aMoonshiram, Dooshaye1 aGupta, Sayam, Sen1 aDasgupta, Jyotishman uhttps://library.ncl.res.in/content/trapping-elusive-feiv-superoxo-intermediate-inside-self-assembled-nanocage-water-room00772nas a2200229 4500008004100000022001400041245010200055210006900157260000900226300000700235490000700242653002200249653001200271653001700283653002000300653001400320653001800334100002200352700002000374700001800394856013000412 2024 eng d a0250-599100aTrehalase inhibition in Helicoverpa armigera activates machinery for alternate energy acquisition0 aTrehalase inhibition in Helicoverpa armigera activates machinery cJUL  a740 v4910aEnergy metabolism10aglucose10aMetabolomics10aTranscriptomics10atrehalase10avalidamycin A1 aTellis, Meenakshi1 aMohite, Sharada1 aJoshi, Rakesh uhttps://library.ncl.res.in/content/trehalase-inhibition-helicoverpa-armigera-activates-machinery-alternate-energy-acquisition02193nas a2200229 4500008004100000022001400041245012500055210006900180260000800249490000700257520138400264653001001648653003101658653000901689653001901698653003001717653000801747100002101755700002701776700002801803856013201831 2024 eng d a2468-023000aTuning the optical properties of Ln3+-doped-Y2O3@ZnO@Au core-shell heterostructures for visible-to-NIR photon harvesting0 aTuning the optical properties of Ln3dopedY2O3ZnOAu coreshell het cJAN0 v443 a

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

10aAuNPs10aCore-shell heterostructure10aLRET10aPhotocatalysis10aUpconversion microspheres10aZnO1 aJayswal, Shefali1 aLuwang, Meitram, Niraj1 aMoirangthem, Rakesh, S. uhttps://library.ncl.res.in/content/tuning-optical-properties-ln3-doped-y2o3znoau-core-shell-heterostructures-visible-nir-photon00798nas a2200253 4500008004100000022001400041245008900055210006900144260000800213300001200221490000700233653001100240653001300251653001300264653001500277653001300292653001600305653001500321100002200336700002200358700002500380700002200405856011700427 2024 eng d a0098-033100aTyramine-mediated hyperactivity modulates the dietary habits in Helicoverpa armigera0 aTyraminemediated hyperactivity modulates the dietary habits in H cOCT a453-4640 v5010aamines10aBehavior10adopamine10aoctopamine10aRECEPTOR10asensitivity10aSULFAKININ1 aPatil, Yogita, P.1 aGawari, Shyam, K.1 aBarvkar, Vitthal, T.1 aJoshi, Rakesh, S. uhttps://library.ncl.res.in/content/tyramine-mediated-hyperactivity-modulates-dietary-habits-helicoverpa-armigera00858nas a2200205 4500008004100000022001400041245018000055210006900235260000900304300001600313490000700329653003700336653004700373100002000420700001700440700002600457700001900483700002000502856013000522 2024 eng d a2155-543500aUnraveling the metal-ligand cooperativity in a phosphine-free Mn(II)-catalyzed transfer hydrogenation of nitriles to primary amines and dehydrogenation of dimethylamine borane0 aUnraveling the metalligand cooperativity in a phosphinefree MnII cOCT  a15777-157890 v1410aCATALYZED TRANSFER HYDROGENATION10aSTEREOSELECTIVE TRANSFER SEMIHYDROGENATION1 aChowdhury, Deep1 aGupta, Kriti1 aGamidi, Rama, Krishna1 aJindal, Garima1 aMukherjee, Arup uhttps://library.ncl.res.in/content/unraveling-metal-ligand-cooperativity-phosphine-free-mnii-catalyzed-transfer-hydrogenation01990nas a2200217 4500008004100000022001400041245013800055210006900193260000800262490000800270520122900278653001201507653000801519653002301527653002501550653002501575653000801600100001801608700001801626856012801644 2024 eng d a0927-025600aWhat leads to direct epoxidation? an exhaustive DFT investigation of electrophilic oxygen mediated epoxidation of ethylene on Ag(100)0 aWhat leads to direct epoxidation an exhaustive DFT investigation cAPR0 v2393 a

Extensive research has contributed to a better understanding of the commercially important epoxidation reaction. Selectivity, a crucial aspect of this reaction, has received significant attention in both experimental and theoretical investigations. However, a consensus regarding the role of electrophilic oxygen in epoxidation is yet to be reached. The present study is a theoretical examination of the prerequisites necessary for direct epoxidation to occur on the Ag(100) surface, at varied monolayer concentrations. Additionally, the study investigates the characteristics of various oxygen species interacting with ethylene to promote the direct epoxidation pathway. Based on the effective charges and projected density of states (pDOS) analysis, three oxygen variants were identified on the Ag(100) surface: atomic oxygen, dissociatively adsorbed molecular oxygen, and O 3 . The investigation reveals that all oxygen species, despite their physical and electronic differences, are electrophilic and undergo direct epoxidation. This work provides insights into the complex nature of epoxidation reaction and discusses electronic factors influencing the selective oxidation route on different Ag-O complexes.

10aAg(100)10aDFT10aDirect epoxidation10aElectrophilic oxygen10aEthylene Oxide (EtO)10aOMC1 aNair, Aathira1 aJoshi, Kavita uhttps://library.ncl.res.in/content/what-leads-direct-epoxidation-exhaustive-dft-investigation-electrophilic-oxygen-mediated02194nas a2200265 4500008004100000022001400041245011500055210006900170260000800239300001400247490000800261520130100269653001001570653001801580653002501598653002101623653000901644100002101653700002501674700002301699700002401722700002901746700002301775856013001798 2024 eng d a1011-372X00aZrO2 supported Cu nanoparticles for sonogashira and ullmann coupling reactions under palladium-free conditions0 aZrO2 supported Cu nanoparticles for sonogashira and ullmann coup cJUN a3078-30900 v1543 a

Cu nanoparticles supported on ZrO2 (CuNPs@ZrO2) were synthesized using a one-step co-precipitation process, and their application in C-C coupling reactions was investigated. The catalyst was characterized using XRD, XPS, SEM, TEM, and TGA techniques. The prepared catalyst was used for the Sonogashira cross-coupling reactions of aryl bromides with phenyl-acetylene in the presence of K2CO3 in DMF at 110 degrees C, which resulted in substituted alkynes with good to excellent yields. The protocol was also extended for the Ullmann coupling reactions of aryl iodides under similar reaction conditions, yielding the desired products with good to excellent yields without homo-coupling. Interestingly, unlike other copper catalysts, the present catalyst worked under air and did not require an inert atmosphere to prevent alkyne. This catalytic system is versatile, tolerant, and significantly cheaper than the ``traditional'' Pd-catalyzed Sonogashira cross-coupling of terminal alkynes with aryl halides. The catalyst could be reused for five catalytic cycles with no significant change in the product yield. All of these characteristics make our prepared CuNPs@ZrO2 catalyst quite suitable for the gram-scale synthesis of biaryls and alkynes, with a simple workup.{GRAPHIACAL ABSTRACT

10aCuNPs10aRecyclability10aSonogashira coupling10aUllmann coupling10aZrO21 aPatil, Seema, P.1 aRajmane, Archana, S.1 aJadhav, Sanjay, N.1 aRajmane, Vijaya, S.1 aRode, Chandrashekhar, V.1 aKumbhar, Arjun, S. uhttps://library.ncl.res.in/content/zro2-supported-cu-nanoparticles-sonogashira-and-ullmann-coupling-reactions-under-palladium01374nas a2200157 4500008004100000245009100041210006900132260000800201300001600209490000700225520080000232100002301032700002201055700002201077856011701099 2025 eng d00aAchmatowicz rearrangement-enabled unified total syntheses of (+)-passifetilactones A-C0 aAchmatowicz rearrangementenabled unified total syntheses of pass cOCT a39919-399300 v153 a

In this manuscript, we report the enantio- and diastereoselective total synthesis of three cytotoxic 2-pyrone-derived natural products passifetilactones A-C. Our strategy leverages a unified synthetic approach that originates from simple furan-based building blocks. Key transformations include the Corey-Bakshi-Shibata (CBS) reduction to access chiral furan-derived alcohol, NBS-mediated Achmatowicz rearrangement to construct the alpha-hydroxy-delta-pyrone core, followed by a highly stereoselective, iridium-catalyzed dynamic kinetic intramolecular redox isomerization to access the delta-hydroxy-alpha-pyrone framework. This streamlined route enables efficient access to passifetilactones A, B, and C in 13, 5, and 8 steps, with overall yields of 12%, 54%, and 37%, respectively.

1 aVerma, Aman, Kumar1 aJeddi, Dharmaraju1 aKontham, Ravindar uhttps://library.ncl.res.in/content/achmatowicz-rearrangement-enabled-unified-total-syntheses-passifetilactones-c02291nas a2200265 4500008004100000022001400041245012000055210006900175260000900244300000800253490000700261520139700268653000601665653002901671653002801700653001801728653001701746653002601763653002601789100002401815700001801839700002301857700002101880856012401901 2025 eng d a0959-399300aAdvances in metabolic engineering and fermentation for 3-hydroxypropionic acid biosynthesis: a comprehensive review0 aAdvances in metabolic engineering and fermentation for 3hydroxyp cSEP  a3520 v413 a

The grand challenge in biobased Manufacturing Lies in achieving the sustainable, economically competitive conversion of renewable biomass into high-value Chemicals capable of replacing fossil-derived products. Among these, 3-hydroxypropionic acid (3-HP) has emerged as a top-tier target-an exceptionally versatile platform molecule. It finds applications in the synthesis of acrylic acid, 1,3-propanediol, and other derivatives, positioning it as a potential cornerstone for bio-based plastics. This review consolidates the latest breakthroughs in microbial 3-HP production, encompassing advanced strain engineering, pathway rewiring, cofactor optimization, metabolic modeling, and flux balance analysis. We critically examine strategies to overcome inherent metabolic and physiological constraints, including byproduct suppression, redox balancing, and tolerance engineering. Emerging approaches-such as dynamic regulation of metabolic flux, control of cell morphology and density, and integration of co-production pathways-are highlighted for their capacity to boost yields and process robustness. Additionally, we address the fermentation process innovations targeting enhanced productivity, substrate efficiency, minimal nutrient input, and industrially relevant titres. Collectively, these insights Chart a clear path toward the scalable, sustainable biomanufacturer of 3-HP.

10a110a3-hydroxypropionaldehyde10a3-hydroxypropionic acid10a3-Propanediol10aFermentation10aflux balance analysis10aMetabolic engineering1 aJoshi, Harshvardhan1 aIsar, Jasmine1 aRangaswamy, Vidhya1 aRaghunathan, Anu uhttps://library.ncl.res.in/content/advances-metabolic-engineering-and-fermentation-3-hydroxypropionic-acid-biosynthesis02422nas a2200277 4500008004100000022001400041245010100055210006900156260000800225300001100233490000800244520147200252653002501724653002801749653001501777653003701792653003101829100002201860700002101882700002501903700002201928700002701950700001801977700002201995856012702017 2025 eng d a0048-357500aAltered Octopamine synthesis impairs tyrosine metabolism affecting Helicoverpa armigera vitality0 aAltered Octopamine synthesis impairs tyrosine metabolism affecti cMAR a1063230 v2083 a

Tyramine (1-hydroxylase (T(1H) is a key enzyme in the biosynthesis of octopamine (OA), a vital neurohormone in invertebrates. This study explores the expression patterns and functional role of Helicoverpa armigera T(1H (HaT(1H) across various tissues and developmental stages. HaT(1H expression was highest in the head and adult male stages, reflecting tissue-specific and developmental regulation. HaT(1H silencing significantly increased locomotion and decreased feeding behavior. OA supplementation in silenced insects or HaT(1H overexpression showed a contrary effect on locomotory and feeding behavior. In silico screening and inhibitory assays identified tomatidine, a tomato-derived metabolite, as a potent HaT beta H inhibitor with strong binding affinity. In vivo bioassays confirmed tomatidine's inhibitory effects, reducing feeding and increasing mortality in H. armigera. Modulation in HaT(1H expression or activity disturbs the tyrosine metabolic pathway, with altered levels of tyramine, octopamine, and dopamine. These results highlight HaT(1H as a key regulator of OA biosynthesis, influencing insect feeding, locomotion, and overall survival. The present study also introduces tomatidine as a potential candidate for insect control, given its ability to disrupt HaT beta H function. This work provides new insights into the physiological roles of HaT beta H and offers promising avenues for developing targeted pest management strategies.

10aHelicoverpa armigera10aOctopamine biosynthesis10aTomatidine10aTyramine (1-hydroxylase (HaT(1H)10aTyrosine metabolic pathway1 aPatil, Yogita, P.1 aWagh, Deepti, S.1 aBarvkar, Vitthal, T.1 aGawari, Shyam, K.1 aPisalwar, Priyanka, D.1 aAhmed, Shadab1 aJoshi, Rakesh, S. uhttps://library.ncl.res.in/content/altered-octopamine-synthesis-impairs-tyrosine-metabolism-affecting-helicoverpa-armigera02516nas a2200217 4500008004100000022001400041245007100055210006900126260000800195300001400203490000700217520182800224100001702052700002302069700002002092700002102112700001902133700002302152700002002175856010302195 2025 eng d a1463-907600aAnomalous membrane organization by omega-6 and omega-9 fatty acids0 aAnomalous membrane organization by omega6 and omega9 fatty acids cMAR a6235-62480 v273 a

Omega fatty acids are currently being marketed as healthy food supplements as they have been implicated in multiple pathophysiological conditions, such as reducing plaque formation of A beta peptide and inhibiting SARS-CoV-2 infection. Their mode of action has been hypothesized to be via membrane reorganization by the unsaturated acyl chains, leading to the modulation of lipid-protein cross-talk. However, the lack of molecular details led us to evaluate the molecular effect of omega-6 (linolenic acid) and omega-9 (oleic acid) fatty acids on membrane organization using a consolidated approach of fluorescence spectroscopy and all-atom molecular dynamics simulation. Our results show that the effect of these omega fatty acids is sensitive to their protonation states. Contrary to the accepted notion that chain unsaturation causes membrane disordering, both experimental and simulation results demonstrate that protonated linoleic acid promotes membrane ordering, despite having two unsaturations at the fatty acyl chain. However, protonated oleic fatty acid, with reduced unsaturation, disordered the acyl chain area of the lipid membranes. Equally surprisingly, deprotonated oleic acid orders, whereas deprotonated linoleic acid disorders, the membrane core region. Interestingly, while the lipid order parameter measurements from simulations did not capture these subtle differences, the calculated rotational autocorrelation function of a membrane dye was in line with experimentally measured apparent rotational correlation times. Our work provides a comprehensive revised molecular picture of the effect of omega fatty acids on membranes and highlights the importance of rigorous comparative approaches, as experimental and simulation studies in isolation can sometimes lead to inconsistent results.

1 aPorte, Sudha1 aPandia, Swaratmika1 aJoardar, Ankita1 aSaraf, Deepashri1 aPinjari, Aadil1 aChakraborty, Hirak1 aSengupta, Durba uhttps://library.ncl.res.in/content/anomalous-membrane-organization-omega-6-and-omega-9-fatty-acids02210nas a2200217 4500008004100000022001400041245011100055210006900166260000800235300001100243490000800254520145000262653002801712653001701740653002501757653001301782100001901795700002501814700002301839856013001862 2025 eng d a0141-813000aBacterial nanocellulose (BNC) produced from sorbitol as a sustainable nano-filter for oil-water separation0 aBacterial nanocellulose BNC produced from sorbitol as a sustaina cJAN a1379530 v2843 a

Oil spillage is one of the serious problems for sustainable environment. Bacterial nanocellulose (BNC), a hydrophilic and highly porous material holds a promising material for oil-water separation from contaminants. In the present work, a hydrophilic BNC produced from a sorbitol as the carbon source demonstrated the unique porous symmetrical arrangement having an oleophilic property. The BNC membrane obtained showed the highest water holding capacity (WHC) of approximate to 147 gg 1 . The Brunauer-Emmett-Teller (BET) analysis of BNC revealed the unique characteristics of isothermic patterns, having macro sized pores with diameter of 121.3 nm and surface area of 40.6m2/g, which plays a vital role in separation of oil from water by allowing passage of only water through it. The separation efficiency of BNC membrane produced after 5th day of incubation has showed 99.0 % oil removal compared to 10 and 15th day incubated BNC membranes. a CFD model to investigate the possibilities of BNC membranes and clarify the dynamics of oil-water separation. The nanostructured network of BNC offers a tortuous path for oil molecules while allowing rapid permeation of water, leading to high separation selectivity and flux. Although BNC has been previously studied for oil water separation, this study provides new insights into the use of wet BNC membranes into its pristine state with sorbitol as carbon source for this application.

10abacterial nanocellulose10aMacro porous10aOil-water separation10aSorbitol1 aJagtap, Ashish1 aKrushnatray, Ajinkya1 aDastager, Syed, G. uhttps://library.ncl.res.in/content/bacterial-nanocellulose-bnc-produced-sorbitol-sustainable-nano-filter-oil-water-separation02695nas a2200229 4500008004100000022001400041245010800055210006900163260000800232300001100240490000800251520188100259653002702140653002802167653001602195653003102211100002702242700001902269700002302288700002402311856013002335 2025 eng d a0141-813000aBacterial nanocellulose enhances osteogenic activity of Vat-based 3D-bio-printed silk fibroin hydrogels0 aBacterial nanocellulose enhances osteogenic activity of Vatbased cNOV a1475320 v3283 a

Tissue engineering, particularly leveraging three-dimensional (3D) bioprinting, is emerging as a transformative solution to repair critical-size bone defects. However, identifying suitable biomaterials remains a key technological bottleneck in the field. Toward this broader goal, this study explored a composite bioink containing photocurable silk fibroin (SF) and bacterial nanocellulose (BNC) for fabricating scaffolds for bone tissue engineering (BTE) by 3D bioprinting using digital light projection (DLP). We prepared scaffolds with 0, 0.25, and 0.75 wt% BNC and characterized their physicochemical properties (degradation, viscoelasticity, porosity, compressive strength). We assessed samples in simulated body fluid (SBF) after 14 days to evaluate biomineralization. Additionally, using MC3T3-E1 preosteoblast cells, we examined cell viability, metabolic activity, proliferation, and osteogenic potential through alkaline phosphatase (ALP), Alizarin Red S (ARS), von Kossa, hematoxylin and eosin (H&E), and Picrosirius Red assays. The optimized bioinks produced hydrogels with controlled degradation, tunable viscoelasticity, interconnected pores, and significantly improved compressive strength. Specifically, 10 % methacrylated-silk with 0.75 % BNC (Silk-MA/0.75BNC) showed superior mechanical properties compared to 10 % Silk-MA or 10 % Silk-MA with 0.25 % BNC (Silk-MA/0.25BNC). In vitro studies confirmed enhanced biomineralization with Silk-MA/0.75BNC, increased calcium deposits, and improved cell viability and metabolic activity with BNC incorporation. Hence, the 3D-bioprinted composite scaffolds were shown to effectively support cell proliferation, with the 0.75 % BNC bioink significantly stimulating osteogenic markers. These results underscore the potential of Silk-MA/BNC composite bioinks for advanced 3D bioprinting of BTE constructs.

10aAdditive manufacturing10abacterial nanocellulose10aBone repair10aMethacrylated silk fibroin1 aWaidi, Yusuf, Olatunji1 aJagtap, Ashish1 aDastagar, Syed, G.1 aChatterjee, Kaushik uhttps://library.ncl.res.in/content/bacterial-nanocellulose-enhances-osteogenic-activity-vat-based-3d-bio-printed-silk-fibroin01788nas a2200217 4500008004100000022001400041245014800055210006900203260000900272300001600281490000700297520098100304100002001285700002001305700003001325700001601355700002401371700002201395700002501417856012801442 2025 eng d a2041-652000aBis-subporphyrin-like boron(iii) complexes derived from indolo[2,3-a]carbazole-based cyclic bis-BODIPYs exhibiting persistent helical chirality0 aBissubporphyrinlike boroniii complexes derived from indolo23acar cOCT  a19164-191710 v163 a

Herein, we report the synthesis of 11,12-dihydroindolo[2,3-a]carbazole (InC) 1 incorporating expanded porphyrinoid 8, and its boron(iii) complexes (8BF2 and 8BF). These macrocycles exhibit a `figure-eight' conformation that exists as a pair of helical enantiomers (P,P and M,M), confirmed by X-ray crystallographic analysis. The `figure-eight' structures are stabilized by intramolecular hydrogen bonds such as NH & ctdot;N and NH & ctdot;F interactions. The synthesized macrocycles demonstrate excellent stability under ambient conditions. Further, the helically-locked structure 8BF exhibited closely held InC units with a distance of 6.17 & Aring; and enabled facile optical resolution using chiral HPLC. Circular dichroism spectroscopy of enantiopure 8BF shows the Cotton effect at 692 nm extending to the near-IR region with Delta epsilon up to 150 M-1 cm-1. The chiral induction of racemic macrocycle 8 was employed using enantiopure mandelic acids.

1 aSpergen, Aswini1 aBal, Pranav, V.1 aShameem, Asif, Khan Shame1 aJoshy, Arun1 aNambiar, Anjana, P.1 aAndrews, Alex, P.1 aSabapathi, Gokulnath uhttps://library.ncl.res.in/content/bis-subporphyrin-boroniii-complexes-derived-indolo23-acarbazole-based-cyclic-bis-bodipys02013nas a2200181 4500008004100000022001400041245014600055210007000201260000800271300001400279490000700293520133400300100002101634700002201655700001601677700001901693856011901712 2025 eng d a1144-054600aBrønsted basic TMMM-hydrotrope combined catalytic system for the synthesis of diverse dihydropyranochromenes in water at ambient temperature0 aBrønsted basic TMMMhydrotrope combined catalytic system for the  cMAY a8131-81420 v493 a

This work describes the synthesis of a range of bioactive chromenes using a solid Br & oslash;nsted organic base called `tris(morpholinomethyl)mesitylene' (TMMM). TMMM was obtained in high yields by treating tris(bromomethyl)mesitylene (TBMM) with morpholine in the presence of K2CO3 in acetonitrile at RT. It was characterized using 1H NMR and 13C NMR spectroscopy. We developed a Br & oslash;nsted base hydrotrope combined catalytic system (BBHC) by combining TMMM and a hydrotrope (sodium p-toluene sulphonate: NaPTS) for the cascade-type Knoevenagel-Michael addition reactions of various aldehydes and malononitrile with kojic acid, 4-hydroxy coumarin, dimedone, and lawsone in water. The methodology offers diversity-oriented synthesis (DOS) of dihydropyranochromenes in high yields. The BBHC catalytic system showed at least four times recyclability without appreciable loss of its activity. TMMM is an odorless, solid organic base that can be easily handled and is resistant to air and moisture. As TMMM is a solid base, it can reduce evaporation losses, improve safety and allow its easy recovery and reuse. TMMM acts as a powerful Br & oslash;nsted base that activates reactants, while an aqueous solution of NaPTS acts as a hydrotrope that increases the solubility of organic compounds in water.

1 aRajmane, Archana1 aJadhav, Aishwarya1 aPatil, Nita1 aKumbhar, Arjun uhttps://library.ncl.res.in/content/br%C3%B8nsted-basic-tmmm-hydrotrope-combined-catalytic-system-synthesis-diverse01999nas a2200229 4500008004100000022001400041245013200055210006900187260000800256490000700264520117100271653001601442653001501458653002701473653002601500653002201526100002301548700002801571700002701599700001701626856012601643 2025 eng d a1861-472800aCarbohydrate-based polyester and amino acid polyester photocrosslinker and their resin formulation for 3D printing applications0 aCarbohydratebased polyester and amino acid polyester photocrossl cJUN0 v203 a

Fully bio-based polyester was designed and synthesized using the carbohydrate-based diol 2,4:3,5-di-O-methylene-D-mannitol (Manx) and dimethyl ester of 2,3:4,5-di-O-methylene-galactaric acid (Galx). Photocurable resin formulations were prepared by incorporating up to 15 wt% of the carbohydrate polyester into hydroxyl ethyl methacrylate (HEMA) along with polyacrylamide crosslinker derived from L-glutamic acid. Complex 3D structures with good shape fidelity could be 3D printed using these novel polyester resin formulations. The incorporation of the carbohydrate polyester improved the glass transition temperature of the 3D-printed objects. Enzymatic erosion studies conducted using esterase enzyme revealed a higher degradation rate for the 3D-printed films containing the carbohydrate polyester. The hydrolytic degradation analysis conducted in both acidic and basic environments revealed that the 3D-printed polymer network exhibits stability and resilience in acidic conditions, while it undergoes complete degradation in basic conditions. This finding underscores the possibility of tailoring degradation processes under regulated circumstances.

10a3D printing10aAmino acid10aCarbohydrate polyester10aEnzymatic degradation10aResin formulation1 aKamble, Ganesh, N.1 aJoshi, Dheeraj, Chandra1 aGavhane, Utreshwar, A.1 aAsha, S., K. uhttps://library.ncl.res.in/content/carbohydrate-based-polyester-and-amino-acid-polyester-photocrosslinker-and-their-resin02205nas a2200241 4500008004100000022001400041245009500055210006900150260000800219300001200227490000700239520141000246653002001656653002301676653001201699653002201711100002301733700002301756700002301779700001501802700002501817856012101842 2025 eng d a1572-388700aCharacterization of S-homocysteinylation of Human Insulin and Its Implications in Diabetes0 aCharacterization of Shomocysteinylation of Human Insulin and Its cOCT a598-6100 v443 a

Homocysteine thiolactone is a reactive thiol known for its interaction with various proteins. Nevertheless, there exists a paucity of information concerning the interaction between homocysteine thiolactone and human insulin, particularly regarding the mechanism by which homocysteine facilitates the reduction of disulfide bonds within insulin. In the present study, we have elucidated the binding sites of homocysteine to the cysteine residues (A6-B7 and A20-B19) that are implicated in the formation of intermolecular disulfide bonds in insulin through an in vitro reaction analyzed via LC-ESI MS/MS. This results in a reduction of disulfide bonds linking the A and B chains, which was corroborated by MALDI-TOF-MS and ESI-MS analysis. The secondary structure of insulin is affected by this modification, as evidenced by circular dichroism spectroscopy. In-silico studies also show that homocysteine affects the insulin structure. A glucose uptake assay conducted in Chinese hamster ovary (CHO) cells that stably express the insulin receptor revealed that HC-modified insulin is less effective in inducing glucose uptake compared to native insulin, suggesting that HC-induced structural modifications in insulin influence functional activity. This study provides insight into the HC-induced structural and functional changes in insulin and discusses the consequent implications for diabetes.

10aDisulfide bonds10aHomocysteinylation10ainsulin10aMass spectrometry1 aSheikh, Amreen, B.1 aJathar, Swaraj, M.1 aTammara, Vaishnavi1 aDas, Atanu1 aKulkarni, Mahesh, J. uhttps://library.ncl.res.in/content/characterization-s-homocysteinylation-human-insulin-and-its-implications-diabetes01930nas a2200205 4500008004100000022001400041245007500055210006900130260000900199300001600208490000700224520124400231100001801475700002401493700002201517700003001539700001801569700003001587856010701617 2025 eng d a1948-718500a(Chiro)optical Properties of π-Extended Spiro-Double Carbo[7]helicene0 aChirooptical Properties of πExtended SpiroDouble Carbo7helicene cNOV  a11657-116640 v163 a

Helical nanographenes are a fascinating class of pi-extended chiral nanocarbons, where structural helicity imparts intrinsic chirality and unique optoelectronic properties to the rigid carbon framework. In this work, we synthesized a hexa-peri-hexabenzocoronene-based pi-extended spiro-double carbo[7]helicene. The helical distortion of the structure was unambiguously confirmed by X-ray crystallography. The optical properties were explored through UV-Vis absorption, fluorescence, and phosphorescence measurements, complemented by density functional theory (DFT) calculations. Remarkably, the pi-extended spiro-double carbo[7]helicene exhibited thermally activated delayed fluorescence (TADF) at room temperature and phosphorescence at low temperatures. Chiral HPLC successfully resolved the enantiomers into three fractions: (PP), (MM), and the meso forms (PM)/(MP), and chiroptical studies of the pure enantiomers revealed a moderately high g lum value of 1.58 x 10-3. Finally, the origin of the observed dissymmetry factors was rationalized by analyzing the transition electric dipole moments (TEDM) and transition magnetic dipole moments (TMDM) derived from time-dependent density functional theory (TD-DFT) calculations.

1 aKumar, Viksit1 aDongre, Sangram, D.1 aVandhanam, Aparna1 aJadhav, Ashok, Badrinaray1 aKumar, Jatish1 aBabu, Sukumaran, Santhosh uhttps://library.ncl.res.in/content/chirooptical-properties-%CF%80-extended-spiro-double-carbo7helicene02168nas a2200253 4500008004100000245009100041210006900132260000900201300001500210490000700225520131300232653003801545653002301583653001301606653001701619653001801636100002401654700002201678700001801700700003001718700001801748700003001766856011801796 2025 eng d00aChiroptical amplification of [7]-helicene nanographene by additional helical chirality0 aChiroptical amplification of 7helicene nanographene by additiona cFEB  ae2024207670 v643 a

Nanographenes have captivated scientific interest since the pioneering discovery of graphene. Recently, attention has shifted towards exploring chiral and nonplanar nanographenes, for their distinct optical, chiroptical, and electronic properties. Despite the growing acceptance of helicenes, the research on inducing helical chirality on pi-extended derivatives to boost chiroptical properties remains unattended. In our study, we introduce a new pi-extended [7]-helicene resulting from the condensation of diamines with 3,6-dibromophenanthrene-9,10-dione, complemented by two hexabenzocoronene arms in the periphery. Notably, the nanographene containing binaphtho-[1,4]diazocine, compared to the corresponding phenazine, exhibits a remarkable average 2.5, 5, and 10-fold enhancements in quantum yield, dissymmetry factor, and brightness, respectively, when measured in five different solvents. These improvements underscore the significance of the induced helical chirality by the antiaromatic binaphtho-[1,4]diazocine in influencing the chiroptical properties of the helical nanographene. Our research represents a significant stride toward unlocking the potential of pi-extended helicenes and lays the groundwork for further exploration in designing and synthesizing new chiral nanomaterials.

10acircularly polarised luminescence10adissymmetry factor10ahelicene10ananographene10aquantum yield1 aDongre, Sangram, D.1 aVenugopal, Geethu1 aKumar, Viksit1 aJadhav, Ashok, Badrinaray1 aKumar, Jatish1 aBabu, Sukumaran, Santhosh uhttps://library.ncl.res.in/content/chiroptical-amplification-7-helicene-nanographene-additional-helical-chirality02252nas a2200265 4500008004100000022001400041245012200055210006900177260000800246300001200254490000700266520136800273653002101641653002301662653002001685653002401705653002301729100001701752700002001769700001801789700001701807700001801824700001701842856012701859 2025 eng d a1613-681000aChlorophobic iron hydrogen phosphite as OER-active electrocatalyst in anion exchange membrane (sea)water electrolysis0 aChlorophobic iron hydrogen phosphite as OERactive electrocatalys cAUG a25057810 v213 a

Seawater electrolysis is recognized as a promising technology to cater to the worldwide drive for sustainable hydrogen production; however, its practical viability is often hindered by the inevitable anode corrosion arising from the electrode side reactions owing to the presence of high chloride content which eventually degrade the electrode performance eventually. Herein, the design of unprecedented ammonium iron hydrogen phosphite (FeHPhi) along with a trace amount of Cu, is reported as the unique and much desired electrode material for seawater electrolysis due to its special chloride repellant nature along with great electrocatalytic activity toward water oxidation. The [HPO3](2-) oxoanion as Lewis base in the structure effectively restricts chloride ions, while the Fe center acts as Lewis acid offering an active site for water oxidation, also well-supported theoretically. Leveraging this frustrated Lewis pair combination, the electrocatalyst achieves a high current density of 500 mA cm(-2) at 344 mV overpotential in alkaline real seawater with impressive robustness to sustain for 200 h when operated under chlorine evolution reaction dominating region (>2 V). The electrocatalyst also demonstrates superior performance in anion exchange membrane freshwater and seawater electrolysis, demonstrating its potential applicability.

10aAEM electrolyzer10achloride repellant10aelectrocatalyst10ahydrogen production10aseawater oxidation1 aDas, Chandni1 aSinha, Nibedita1 aNair, Aathira1 aPal, Santanu1 aJoshi, Kavita1 aRoy, Poulomi uhttps://library.ncl.res.in/content/chlorophobic-iron-hydrogen-phosphite-oer-active-electrocatalyst-anion-exchange-membrane02825nas a2200253 4500008004100000245019400041210006900235260000800304300001100312490000700323520181000330653002102140653002402161653005202185653002902237653003802266100001702304700002702321700002602348700002802374700001902402700002002421856013002441 2025 eng d00aClove essential oil-supported disposable in-tip cellulose paper (DICP) device for facile extraction of anesthetic drugs from postmortem samples: a white analytical toxicology (WAT) approach0 aClove essential oilsupported disposable intip cellulose paper DI cJUN a1020100 v453 a

A novel disposable in-tip cellulose paper (DICP) device, enhanced with clove essential oil (CEO), was developed for the extraction of four anesthetic drugs (lidocaine, prilocaine, ropivacaine, and bupivacaine) from postmortem blood and urine samples. The DICP device, equipped with 1 x 3 cm CEO-impregnated cellulose paper (CP) strips (prepared via a simple dip-coating process), is attached to a 1000 mu L micropipette. The findings from density functional theory (DFT) study reveals that CEO-impregnated cellulose demonstrates stronger and more diverse interactions with anesthetic drugs, as evidenced by more negative adsorption energy (-0.62 eV) and enhanced non-covalent interactions compared to cellulose alone. The procedure involves aspirating and dispensing diluted biological samples through the DICP device for 30 cycles, adsorbing the analytes onto the CEO-impregnated CP strips. The adsorbed analytes are subsequently eluted with 0.5 mL of ethyl acetate through 40 aspirating-dispensing cycles and analyzed by GC-MS. The method achieved limits of quantification as low as 0.01 mu g/mL, with intra-day and inter-day precisions below 10.2 % and 14.6 %, respectively, and accuracy ranging from 90.5 % to 110.7 %. Relative recoveries ranged from 66 % to 87.6 %, while matrix effects remained consistently below 11.9 %. The DICP-GC-MS method demonstrated exceptional sustainability, achieving a whiteness score of 97.2 %, underscoring its alignment with green analytical chemistry principles and operational simplicity. Applicability was demonstrated through the successful analysis of postmortem cardiac blood in a suspected anesthetic drug overdose case, highlighting its potential as a robust, high-throughput, and eco-friendly approach for routine forensic toxicological screening.

10aAnesthetic drugs10aClove essential oil10aDisposable in-tip cellulose paper (DICP) device10aGreen sample preparation10aWhite analytical toxicology (WAT)1 aJain, Rajeev1 aShivankar, Bhavana, R.1 aKrishnamurty, Sailaja1 aAl-Khateeb, Lateefa, A.1 aSheetal, Sarah1 aAlharthi, Sarah uhttps://library.ncl.res.in/content/clove-essential-oil-supported-disposable-tip-cellulose-paper-dicp-device-facile-extraction01967nas a2200229 4500008004100000022001400041245013600055210006900191260000800260490000700268520116500275653002501440653001101465653001301476653001701489653001101506100002201517700002801539700001801567700002201585856013001607 2025 eng d a1867-388000aContinuous flow hydrodeoxygenation of lignin-derived guaiacol to cyclohexanol over durable Al2O3 hollow fiber supported co catalyst0 aContinuous flow hydrodeoxygenation of ligninderived guaiacol to  cSEP0 v173 a

The drive to decarbonize the chemical, oil, and gas industries through use of bio-derived resources is intensifying. This study focuses on converting lignin-derived phenolic compounds into cyclohexanol, a precursor for adipic acid production. The alumina hollow fiber supported cobalt catalyst (5Co/AHF@capillary) prepared by capillary action method was found to consist cobalt in both metallic and +delta oxidation states. Initial tests in a batch-mode reactor showed promising results, with 5Co/AHF@capillary catalyst demonstrating catalytic activity comparable to Ru/Al2O3 systems (225 degrees C, 1 MPa H-2, 4 h), achieving similar to 86% cyclohexanol yield in guaiacol hydrodeoxygenation reactions. The catalytic system was then adapted for continuous flow reactors under milder conditions (300 degrees C, 2.5 MPa H-2, 18 mL min(-1)), resulting in 83% guaiacol conversion and 74% cyclohexanol yield. The durability of the catalyst was checked for >80 h and results claim that catalyst was active in yielding consistent results. The roles of catalyst preparation method, hydrogen pressure, solvent, WHSV were thoroughly checked and discussed.

10abiomass valorization10aCarbon10aCo/Al2O310aCyclohexanol10alignin1 aSingh, Dheerendra1 aJogdand, Shunottara, M.1 aDevi, Nandini1 aDhepe, Paresh, L. uhttps://library.ncl.res.in/content/continuous-flow-hydrodeoxygenation-lignin-derived-guaiacol-cyclohexanol-over-durable-al2o302599nas a2200169 4500008004100000022001400041245011000055210006900165260000800234300001200242490000700254520197700261100002502238700002202263700002302285856012102308 2025 eng d a2051-634700aContinuous flow synthesis of metal nanowires: protocols, engineering aspects of scale-up and applications0 aContinuous flow synthesis of metal nanowires protocols engineeri cJAN a364-4000 v123 a

This review comprehensively covers the translation from batch to continuous flow synthesis of metal nanowires (i.e., silver, copper, gold, and platinum nanowires) and their diverse applications across various sectors. Metal nanowires have attracted significant attention owing to their versatility and feasibility for large-scale synthesis. The efficacy of flow chemistry in nanomaterial synthesis has been extensively demonstrated over the past few decades. Continuous flow synthesis offers scalability, high throughput screening, and robust and reproducible synthesis procedures, making it a promising technology. Silver nanowires, widely used in flexible electronics, transparent conductive films, and sensors, have benefited from advancements in continuous flow synthesis aimed at achieving high aspect ratios and uniform diameters, though challenges in preventing agglomeration during large-scale production remain. Copper nanowires, considered as a cost-effective alternative to silver nanowires for conductive materials, have benefited from continuous flow synthesis methods that minimize oxidation and enhance stability, yet scaling up these processes requires precise control of reducing environments and copper ion concentration. A critical evaluation of various metal nanowire ink formulations is conducted, aiming to identify formulations that exhibit superior properties with lower metal solid content. This study delves into the intricacies of continuous flow synthesis methods for metal nanowires, emphasizing the exploration of engineering considerations essential for the design of continuous flow reactors. Furthermore, challenges associated with large-scale synthesis are addressed, highlighting the process-related issues. This review comprehensively covers the translation from batch to continuous flow synthesis of metal nanowires (i.e., silver, copper, gold, and platinum nanowires) and their diverse applications across various sectors.

1 aSonawane, Jayesh, R.1 aJundale, Rajashri1 aKulkarni, Amol, A. uhttps://library.ncl.res.in/content/continuous-flow-synthesis-metal-nanowires-protocols-engineering-aspects-scale-and02305nas a2200313 4500008004100000245009800041210006900139260000800208300001200216490000700228520125200235653002901487653002301516653002701539653003101566653002301597100001901620700002101639700002701660700001901687700002501706700002401731700002101755700002001776700002701796700001801823700002801841856012201869 2025 eng d00aDetection and variant characterization of lumpy skin disease virus from dairy cattle in India0 aDetection and variant characterization of lumpy skin disease vir cDEC aveaf0900 v113 a

The spread of a severe and often fatal form of lumpy skin disease (LSD) in cattle and water buffaloes has caused widespread mortality and morbidity of these animals in India. To track and understand the genetic changes occurring in the virus and to enable routine surveillance of the virus, multiplexed polymerase chain reaction (PCR) and sequencing methods were developed and validated in this study. Multiplexed nested PCR for LSD virus (LSDV) detection was optimized using skin lesion swabs and nasal samples collected from symptomatic and asymptomatic animals. For genotyping, overlapping PCRs to amplify the entire LSDV genome were developed and tested on field samples collected from the Maharashtra and Odisha states of India. Analysis of LSDV genomes from 41 field samples collected in 2022 and 2023 revealed the presence of highly conserved novel mutations. Phylogenetic analysis shows that a distinct genotype of LSDV has spread across India, which warrants genomic surveillance of the virus in the coming years to track the evolution and transmission of the virus. The non-invasive sample collection, detection, and genotyping methods described in this study can facilitate large-scale surveillance of LSDV in dairy animals.

10agenotyping by sequencing10alumpy skin disease10amultiplexed nested PCR10aOxford Nanopore technology10avirus surveillance1 aBajpai, Manali1 aKhilari, Ajinkya1 aLikhitkar, Bhagyashree1 aMusale, Pankaj1 aJadhav, Santoshkumar1 aDhanikachalam, Velu1 aKakramkar, Payal1 aBhave, Kaustubh1 aSwaminathan, Marimuthu1 aJoshi, Sachin1 aShanmugam, Dhanasekaran uhttps://library.ncl.res.in/content/detection-and-variant-characterization-lumpy-skin-disease-virus-dairy-cattle-india02212nas a2200277 4500008004100000022001400041245008600055210006900141260000800210300001200218490000700230520131600237653001601553653001401569653002201583653002101605653001101626100001801637700003401655700002001689700002201709700002601731700003001757700003001787856011701817 2025 eng d a1613-681000aDiamondoid all-carbon porous aromatic framework host for lithium-sulfur batteries0 aDiamondoid allcarbon porous aromatic framework host for lithiums cJUN a25003880 v213 a

Lithium-sulfur batteries (LSBs) hold incredible potential as next-generation energy storage systems. However, practical applications of LSBs are significantly hindered by several critical challenges. For the first time, scalable all-carbon porous 3D polymers (3DPs) that do not contain heteroatoms or functional groups and do not require post-functionalization are investigated as hosts in lithium-sulfur batteries, demonstrating enhanced cycling stability and overall battery performance. The pyrene-containing 3DP exhibits 75% capacity retention after 600 cycles at 1 C and 52% capacity retention after 1300 cycles at 0.2 C, better than phenyl comprising 3DP. Furthermore, even at higher sulfur loading (4.1 mg cm(-2)) with an electrolyte/sulfur ratio of 5 mu L mg(-1), pyrene 3DP displayed a high capacity of 600 mA h g(-1) and stable performance over 250 cycles with negligible capacity fade. The defined pore structure of 3DPs prevents the migration of polysulfides through physical confinement and the large pi -clouds of 3DPs interact with the negative charge-bearing polysulfides generated in charge-discharge cycles through anion-pi interaction. In this way, The design ensures that the host 3DPs interact with neutral sulfur and anionic polysulfides, resulting in an excellent performance.

10a3D polymers10aBatteries10aLi-Sulfur battery10aporous materials10apyrene1 aKumar, Viksit1 aJavaregowda, Bharathkumar, H.1 aDevasia, George1 aNarayanan, Aswini1 aKrishnamurty, Sailaja1 aKrishnamoorthy, Kothandam1 aBabu, Sukumaran, Santhosh uhttps://library.ncl.res.in/content/diamondoid-all-carbon-porous-aromatic-framework-host-lithium-sulfur-batteries04782nas a2200265 4500008004100000245010400041210006900145260000800214300001200222490000700234520395300241653001604194653001704210653000804227653001204235653000804247653002204255653001804277100001804295700001804313700001704331700001604348700002004364856013204384 2025 eng d00aDLP 3D printing and characterization of PEEK-acrylate composite biomaterials for hip-joint implants0 aDLP 3D printing and characterization of PEEKacrylate composite b cJAN a172-1910 v273 a

Introduction. Hip joint replacement is considered the most complex and critically important orthopedic surgical procedure compared to knee and shoulder joint replacements. Over the past few decades, there has been significant advancement in hip joint replacement technology, and various biomaterials have been substantially improved. An increasing number of hip joint replacement surgeries are now successful, assisting individuals in regaining normal daily activity and work capacity comparable to their pre-fracture state. However, the need for revision surgery, specifically for implant replacement, is still observed in active patients several years following the initial operation. This underscores the need to develop durable biomaterials and customized hip joint implants to reduce implant wear and the risk of dislocation. This research study explores a novel PEEK-in-acrylate composite biomaterial with varied weight percentages of PEEK (0 %, 5 %, and 10 %) in an acrylate-based matrix. Tests were conducted to determine its properties, biocompatibility, and 3D printability. Based on the developed material, pins (in accordance with the ASTM standard) were fabricated using 3D printing for subsequent wear rate studies. The potential use of the developed composite materials for hip-joint applications was also thoroughly investigated. The purpose of this study is to develop and investigate a new PEEK in Acrylate composite biomaterial with varied weight percentages of PEEK (0 %, 5 %, and 10 %) in an acrylate-based matrix. The research includes an assessment of the material's properties, biocompatibility, and 3D printability. Using digital light processing (DLP) 3D printing technology at room temperature, pins (in accordance with the ASTM standard) were fabricated. An experimental study of dry sliding wear resistance was conducted on the resulting samples to determine the effect of PEEK weight fraction on the wear rate and frictional performance against an SS 316 steel disk. Scanning electron microscopy (SEM) and Energy-dispersive X-ray spectroscopy (EDS) were used to analyze the surface structure and element distribution within the material. The Methods of Investigation. Digital Light Processing (DLP) 3D Printing technique was used to 3D Print the ASTM pins and Acetabular liner with different weight fraction of PEEK in acrylate. Dry sliding wear tests were carried out using a pin-on-disk tribometer. During testing, the disk rotation speed and the normal load on the pin were varied. The studies were designed to determine the influence of input parameters on the wear rate. A total of nine experiments were conducted for each PEEK weight fraction, with a sliding distance of 4 km per experiment. The load ranged from 20 to 100 N, and the sliding speed varied from 450 to 750 rpm. Surface structure and element distribution were analyzed by Energy-dispersive X-ray spectroscopy (EDS) and Scanning electron microscopy (SEM). Result and Discussion. Current study demonstrates the advantages of varying the weight fraction of PEEK in Acrylate for DLP-fabricated biomaterials. Analysis of the SEM, EDS, and wear testing results indicated that the composite with 10 wt % PEEK in Acrylate exhibited superior microstructural integrity, elemental homogeneity, and significantly improved wear resistance. The 10 wt % PEEK in Acrylate composite, fabricated via DLP 3D printing, is suitable for biomedical implant and healthcare applications

10a3D printing10aBiomaterials10aFDM10aimplant10aPLA10aprint orientation10awear behavior1 aDama, Yogiraj1 aJogi, Bhagwan1 aPawade, Raju1 aPal, Shibam1 aGaikwad, Yogesh uhttps://library.ncl.res.in/content/dlp-3d-printing-and-characterization-peek-acrylate-composite-biomaterials-hip-joint-implants03071nas a2200277 4500008004100000022001400041245013500055210006900190260000900259300001400268490000600282520203300288653002402321653002502345653003102370653003502401653005202436100002402488700002702512700002702539700001602566700002602582700003002608700002702638856012802665 2025 eng d a2574-096200aEffect of cyclization and alkyl group wrapping in visible-light-active unsymmetrical squaraine dyes for dye-sensitized solar cells0 aEffect of cyclization and alkyl group wrapping in visiblelightac cAPR  a5017-50300 v83 a

A series of alkyl group-appended indoline- and carboxylic acid-functionalized indolenine-based visible-light-active unsymmetrical squaraine dyes, SQA7-10, were designed, synthesized, and utilized for the dye-sensitized solar cells device fabrication. The number of alkyl group has been increased systematically on the indoline moiety to control the self-assembly of dyes on TiO2 and to passivate the photoanode that helps in improving the open-circuit voltage (V-OC) by avoiding the charge recombination process. SQA7-10 dyes showed an absorption between lambda(max) 536-540 nm, with molar extinction coefficients of 1.62-2.13 x 10(5) M-1 cm(-1) in CH3CN. Further, ultraviolet-visible (UV-vis) studies on TiO2 indicated the formation of H-aggregated dyes (505-510 nm), which can be controlled by appending the alkyl groups. The energy levels of the highest occupied molecular orbital (HOMO) of these dyes are well aligned with the Nernst potentials of I-/I(3)(-)electrolyte and [Cu(tmby)(2)](+/2+) electrolytes with sufficient overpotentials required for the dye regeneration process. DSSC devices made with these dyes showed systematic enhancements of open-circuit voltage (V-OC) and device efficiency with respect to alkyl group incorporation for SQA7-10 with I-/I-3(-) electrolytes. All of the SQA dyes exhibited the device V-OC of more than 805 mV, where the introduction of alkyl groups systematically enhanced the V-OC in the order of SQA7 (805 mV) < SQA8 (829 mV) < SQA9 (843 mV) < SQA10 (862 mV) without any addition of CDCA. Within the SQA dye series, SQA10 dye has achieved the highest DSSC device efficiency of 7.52% (J(sc) of 11.16 mA/cm(2), V-oc of 862 mV, and ff of 78%) with I-/I-3(-) electrolyte, whereas use of [Cu(tmby)(2)](+/2+) redox shuttle with SQA10 showed enhanced V-oc (1080 mV) and device efficiency (8.35%). The IPCE profile for the device fabricated with SQA dyes showed good response at 480 and 560 nm, which indicates the photocurrent generation from the aggregated structures.

10aaggregation of dyes10acharge recombination10aDye-sensitized solar cells10aindoline and indolenine donors10avisible-light-activeunsymmetrical squaraine dye1 aJadhav, Avinash, P.1 aSingh, Ambarish, Kumar1 aShivankar, Bhavana, R.1 aSiby, Jesna1 aKrishnamurty, Sailaja1 aKrishnamoorthy, Kothandam1 aNithyanandhan, Jayaraj uhttps://library.ncl.res.in/content/effect-cyclization-and-alkyl-group-wrapping-visible-light-active-unsymmetrical-squaraine01403nas a2200325 4500008004100000022001400041245011300055210006900168260000900237300001100246490000800257520032000265653003000585653003500615653002600650653000900676653002600685653002500711100002000736700002100756700002700777700001900804700002000823700002000843700002000863700002600883700002000909700002200929856012600951 2025 eng d a0304-885300aElectronic, magnetic, and mechanical properties of co-doped GaSb: A promising diluted magnetic semiconductor0 aElectronic magnetic and mechanical properties of codoped GaSb A  cNOV  a1734990 v6323 a

{Understanding the interplay between magnetism and the electronic structure is crucial for the development of novel spintronic materials. This study employs density functional theory (DFT) calculations to investigate these properties in cubic Gallium Antimonide (GaSb) doped with Cobalt (Co) (Ga1-xCoxSb

10aDensity functional theory10aDilute magnetic semiconductors10aElectronic properties10aGaSb10amechanical properties10aSpintronic materials1 aSamant, Ramnath1 aSaraf, Deepashri1 aAdhikari, Rajendra, P.1 aShilkar, Omkar1 aRaikar, Sakshit1 aSilveira, Allan1 aSawant, Manthan1 aSappati, Subrahmanyam1 aJoshi, Niharika1 aDesai, Ashish, M. uhttps://library.ncl.res.in/content/electronic-magnetic-and-mechanical-properties-co-doped-gasb-promising-diluted-magnetic02728nas a2200193 4500008004100000022001400041245019700055210006900252260000800321300001600329490000700345520193100352100002202283700002702305700001802332700003002350700002702380856012702407 2025 eng d a2040-336400aEnhanced mid-visible light absorption and long-lived charge carriers in an electronically and structurally integrated BiVO4-TiO2 photoanode for efficient artificial photosynthesis applications0 aEnhanced midvisible light absorption and longlived charge carrie cMAY a12738-127500 v173 a

The ever-increasing demand for sustainable solutions for eliminating environmental pollutants, solar energy harvesting, water splitting, etc. have led to the design and development of novel materials to achieve the desired result. In this regard, structurally and electronically integrated (SEI) BiVO4-TiO2 (SEI-BVT) with abundant heterojunctions has emerged as a promising entity for efficient charge separation, which in turn enhances artificial photosynthesis (APS) activity. The present work adopted a unique synthetic strategy using SILAR to fabricate SEI-BVT from ionic precursors (Bi3+ and VO43-) into the pores of TiO2, exhibiting benchmark APS efficiency compared to the individual components. This preparation results in approximately 180 trillion uniformly distributed heterojunctions in 1 mg cm-2 of the SEI-BVT photoanode material. Charge carriers in SEI-BVT and BiVO4 are similar; however, the recombination is highly hindered when SEI-BVT heterojunctions are formed in the former. Our earlier work demonstrated 31-38% solar-to-fuel efficiency (STFE) with BiVO4-TiO2 for APS in the presence of the Pd-nanocube co-catalyst. The emphasis of the current work is to explore the dynamics of the light-induced processes in these heterojunctions to understand the interfacial charge transfer process. Femtosecond transient absorption (TA) spectroscopy has been employed to monitor the excited state dynamics. Our results show that new trap states have evolved under light illumination, which are significantly long-lived and hinder charge recombination, and consequently enhance STFE. A significantly large number of charge carriers exhibit a lifetime of >> 6 ns with visible light photons, at least up to 720 nm, which is higher than the band-gap absorption onset at 490 nm for SEI-BVT compared to bulk BiVO4. The rate of formation of charge carriers is significantly affected in the heterojunctions.

1 aJha, Vikas, Kumar1 aSalgaonkar, Kranti, N.1 aSaha, Avishek1 aGopinath, Chinnakonda, S.1 aIyer, Siva, Subramania uhttps://library.ncl.res.in/content/enhanced-mid-visible-light-absorption-and-long-lived-charge-carriers-electronically-and02608nas a2200265 4500008004100000022001400041245009400055210006900149260000800218300000800226490000700234520172000241653002601961653002501987653002302012653002602035653002402061653002202085100001902107700002202126700002002148700002802168700002302196856012302219 2025 eng d a0250-470700aEnhancement of mechanical and rheological properties of PA-12 through silane modification0 aEnhancement of mechanical and rheological properties of PA12 thr cDEC a1460 v483 a

This research examines the effects of silane modifications on polyamide 12 (PA-12) to improve its mechanical and thermal properties. The study employs a reactive extrusion technique to integrate various silanes-Dynasylan (R) AMEO, Dynasylan (R) 1189, Dynasylan (R) DAMO and Dynasylan (R) VPS 4721-at different concentrations (0.25, 0.5 and 0.75%). Key findings reveal that silane modifications significantly enhance the tensile strength, impact resistance and viscoelastic behaviour of PA-12, with the Dynasylan (R) DAMO formulation achieving the highest tensile strength of 38.25 MPa vis-& agrave;-vis 8.02 MPa for PA-12. The modifications also resulted in a reduction of crystallinity by over 35%, contributing to improved toughness and impact strength. Rheological assessments indicate that the flow properties of PA-12 are positively altered, enhancing its complex viscosity and storage modulus, which are crucial for applications in automotive and aerospace industries. Thermal analysis through differential scanning calorimetry and thermogravimetric analysis confirms improved thermal stability, particularly in the 0.5% Dynasylan (R) AMEO-modified sample, exhibiting an onset temperature of 421.87 degrees C. The study emphasizes the importance of the silane type and dosage in tailoring PA-12's performance for advanced applications, suggesting future research directions to further refine silane-modification techniques for enhanced polymer performance. This research provides valuable insights into polymer-modification strategies, highlighting the potential for silane treatments to optimize the mechanical, thermal and rheological properties of PA-12 for diverse industrial applications.

10amechanical properties10aPolyamide 12 (PA-12)10areactive extrusion10arheological behaviour10asilane modification10athermal stability1 aJadhav, Pravin1 aMahajan, Digvijay1 aPatil, Prashant1 aUmbarkar, Shubhangi, B.1 aPol, Harshawardhan uhttps://library.ncl.res.in/content/enhancement-mechanical-and-rheological-properties-pa-12-through-silane-modification01445nas a2200265 4500008004100000022001400041245011800055210006900173260000900242300001100251490000800262520055100270653001900821653002100840653001300861653000800874653002100882100002000903700002900923700002400952700002000976700003000996700002101026856013201047 2025 eng d a1383-586600aEuropium oxide on carbon nitride for electrocatalytic glycerol oxidation coupled with hydrogen evolution reaction0 aEuropium oxide on carbon nitride for electrocatalytic glycerol o cNOV  a1334420 v3723 a

{The integration of the electrochemical glycerol oxidation reaction (GOR) with the hydrogen evolution reaction (HER) has emerged as a promising alternative to the sluggish oxygen evolution reaction (OER) in water splitting toward the development of renewable and clean energy sources. However, suitable electrodes that facilitate redox kinetics while increasing the selectivity of the desired product(s) are still required. Herein, a series of europium oxide (Eu2O3) anchored on graphitic carbon nitride (g-CN) nanoaggregates (g-CNEux

10acarbon support10aelectrocatalysis10aGlycerol10aHER10aRare earth metal1 aJana, Jayasmita1 aSharma, Tata, Sanjay Kan1 aGhanem, Mohamed, A.1 aChoi, Won, Mook1 aGopinath, Chinnakonda, S.1 aHur, Seung, Hyun uhttps://library.ncl.res.in/content/europium-oxide-carbon-nitride-electrocatalytic-glycerol-oxidation-coupled-hydrogen-evolution02307nas a2200337 4500008004100000022001400041245015300055210006900208260000900277300001100286490000800297520117300305653002001478653002401498653002201522653000901544653002301553653001201576653002501588653004301613100002401656700001801680700001901698700002001717700002501737700001701762700001801779700002501797700001801822856012901840 2025 eng d a1385-894700aExploring the electronic modulation in controlling the activity and selectivity of Ni-Au-In based catalyst in atmospheric pressure CO2 hydrogenation0 aExploring the electronic modulation in controlling the activity  cSEP  a1659210 v5203 a

Nickel-based catalysts are widely used for the hydrogenation of CO2 but encounter stability challenges during prolonged reactions and at elevated temperatures. At atmospheric pressure, nickel primarily promotes methane formation in CO2 hydrogenation reactions. In this work, we demonstrate that the stability and activity of nickel can be significantly enhanced through gold (Au) modification. Furthermore, we achieve a near-complete selectivity switch from methane to CO by incorporating indium (In), mediated through the formation of Au-In alloy. This catalyst exhibits excellent CO2 conversion and CO selectivity at relatively lower temperatures (400 degrees C), addressing a major bottleneck in the Reverse Water-Gas Shifts (RWGS) reaction. XPS studies demonstrate an interesting electron transfer mechanism facilitated by gold, which involves the formation of electronrich Au species (Au delta-) and the development of Au-In alloys. This process improves the reducibility of nickel oxide while allowing a fraction of nickel to remain in its metallic form, managing a facile hydrogenation process and regulating the shift in selectivity from CH4 to CO.

10aAlloy formation10aBimetallic catalyst10aCO2 hydrogenation10aRWGS10aSelectivity switch10asynergy10aTrimetallic catalyst10aXPS (X-ray photoelectron spectroscopy)1 aBajpai, Jyotsna, P.1 aGupta, Sharad1 aGoud, Devender1 aDeka, Diku, Raj1 aJagtap, Anuradha, V.1 aKumar, Pawan1 aAhamed, Momin1 aPeter, Sebastian, C.1 aVinod, C., P. uhttps://library.ncl.res.in/content/exploring-electronic-modulation-controlling-activity-and-selectivity-ni-au-based-catalyst02340nas a2200265 4500008004100000022001400041245011700055210006900172260000800241300001100249490000800260520142700268653002501695653001801720653002201738100001701760700001701777700002001794700002001814700002301834700003701857700002101894700002701915856013201942 2025 eng d a0141-813000aExtraction of highly crystalline and thermally stable cellulose nanofiber from Heliconia psittacorum L.f. leaves0 aExtraction of highly crystalline and thermally stable cellulose  cMAY a1422640 v3083 a

Extracting cellulose nanofibers (CNF) from agro-waste is one of the promising and practical ways to develop sustainable nanocomposites. In this study, cellulose nanofibers were extracted from the leaves of Heliconia psittacorum for the first time. The combination of oxalic acid hydrolysis (5 wt%) and steam explosion was used for the isolation of CNF from the leaves of Heliconia psittacorum. The structural and chemical features of the prepared CNF were analyzed using various techniques, including Fourier Transform Infrared Spectroscopy (FTIR), Solid state 13C Nuclear Magnetic Resonance Spectroscopy (13C NMR), Scanning Electron Microscopy (SEM), Energy Dispersive X ray analysis (EDX), Transmission electron Microscopy (TEM), X-Ray Diffraction (XRD) and Thermogravimetric analysis (TGA). TEM micrographs reported 15 to 40 nm diameter for the nanofibers synthesized. XRD analysis reported 91 % crystallinity index for CNF, whereas that of the untreated sample was 76 %. The maximum degradation of the CNF is reported at 355 degrees C, exceeds the untreated sample (316 degrees C). The tensile strength of the CNF derived paper was found to be 23 MPa. The recovered nanocellulose can be further utilized for various applications such as the automobile industry for developing lightweight parts, biosensors, super capacitors, absorption of greenhouse gases, wastewater treatment, and packaging applications.

10abiomass valorization10aNanocellulose10aWaste to resource1 aPaul, Sharon1 aJoseph, Anto1 aHridhya, P., D.1 aBadawi, Michael1 aAjithkumar, T., G.1 aParameswaranpillai, Jyotishkumar1 aAsrofi, Mochamad1 aDominic, C., D. Midhun uhttps://library.ncl.res.in/content/extraction-highly-crystalline-and-thermally-stable-cellulose-nanofiber-heliconia-psittacorum02493nas a2200325 4500008004100000022001400041245010800055210006900163260000900232300000800241490000800249520144900257653001301706653002001719653002001739653002901759100001701788700001701805700001901822700002001841700001801861700002601879700002101905700002101926700001801947700002401965700002601989700002302015856012902038 2025 eng d a0974-362600aFacile and eco-friendly synthesis of Mn2O3 nanoparticles via microwave-assisted glycerol-thermal method0 aFacile and ecofriendly synthesis of Mn2O3 nanoparticles via micr cNOV  a1020 v1373 a

Microwave-assisted efficient synthesis of nanosized manganese oxide (Mn2O3) is reported using glycerol and manganese acetate. Glycerol in this reported methodology acts as an efficient solvent for this nanomaterial synthesis under microwave radiation. This reported method enables the synthesis of nanosized Mn2O3 without further use of additives, stabilizers, and bases other than glycerol and manganese precursor. Glycerol is a renewable biomaterial derived nonvolatile and nontoxic, safe solvent. It has a high boiling point and dielectric constant, which makes it an ideal solvent for microwave synthesis. The synthesized nanosized Mn2O3 was analyzed by X-ray diffraction (XRD), high-resolution transmission electron microscopy (HRTEM), X-ray photoelectron spectroscopy (XPS), and Raman spectroscopy. We examined the catalytic properties of as-synthesized Mn2O3 for cinnamyl alcohol oxidation to cinnamaldehyde. In this oxidation activity experiment, nanosized Mn2O3 exhibits good conversion and selectivity towards the desired product. We also made an attempt to understand the probable mechanism of nanomaterial formation and found some conclusive evidence to support it. This research methodology is facile, energy efficient, and involves minimum chemicals for synthesis. It makes this reported methodology not only economically attractive but also environmentally friendly, which aligns well with green chemistry principles.

10aGlycerol10agreen chemistry10aNanosized Mn2O310ananostructured catalysis1 aYadav, Akash1 aJha, Ratnesh1 aBhatkar, Akash1 aGehlot, Bhavika1 aKamble, Aditi1 aManikandan, Marimuthu1 aBhosale, Hritvik1 aVaishnav, Vishal1 aRathod, Rutik1 aUmbarkar, Shubhangi1 aRaja, Thirumalaiswamy1 aBhatte, Kushal, D. uhttps://library.ncl.res.in/content/facile-and-eco-friendly-synthesis-mn2o3-nanoparticles-microwave-assisted-glycerol-thermal02341nas a2200265 4500008004100000022001400041245011900055210006900174260000900243300001100252490000800263520140100271653002401672653001601696653003001712653002801742653001801770100002801788700003101816700001701847700002601864700003001890700002701920856012801947 2025 eng d a1010-603000aFar-red active squaraine dye-sensitized photoanode for dye-sensitized solar cells with a copper (II/I) electrolyte0 aFarred active squaraine dyesensitized photoanode for dyesensitiz cFEB  a1160860 v4593 a

In dye-sensitized solar cells (DSSC), controlling the dye-aggregation on TiO2 and charge recombination between electrons present in TiO2 and electrolyte can be achieved by wrapping the long alkyl groups around the dye structure and further introducing bulky donor on the dye is a potential approach to enhance both the open-circuit potential and short-circuit current parameters. Additionally, bulky donor containing dye structures modulates the photophysical and electrochemical properties of the sensitizer which helps reducing the over potentials required for the dye regeneration process by utilizing a multidentate ligand containing [Cu(tme)]2+/+ and I- /I3redox electrolytes. Hagfeldt donor appended far-red NIR active unsymmetrical squaraine dye (SQ-HF) has been designed, synthesized, and characterized. SQ-HF dye showed an intense absorption at 676 nm (epsilon 1.7 x 105 M- 1cm- 1). Photophysical and electrochemical studies indicated that the LUMO and HOMO energy levels of the SQ-HF dye were suited for charge injection (from the LUMO of the dye to the conduction band of TiO2) and dyeregeneration processes, respectively. The DSSC device efficiency of 5.15 % (JSC of 10.83 mA/cm2 and VOC of 0.690 V) has been achieved for SQ-HF dye by utilizing a literature reported [Cu(tme)]2+/+ and 4.11 % (JSC of 8.74 mA/cm2 and VOC of 0.702 V) in I- /I3- redox shuttles, respectively.

10aaggregation of dyes10aBulky donor10adye-sensitized solar cell10aPhotocurrent generation10asquaraine dye1 aNawghare, Indrajeet, S.1 aDeshmukh, Shivdeep, Suresh1 aJoshi, Krati1 aKrishnamurty, Sailaja1 aKrishnamoorthy, Kothandam1 aNithyanandhan, Jayaraj uhttps://library.ncl.res.in/content/far-red-active-squaraine-dye-sensitized-photoanode-dye-sensitized-solar-cells-copper-iii02151nas a2200217 4500008004100000022001400041245008700055210006900142260000800211300000700219490000700226520146000233653002001693653002101713653001501734653002401749653001301773100002201786700002201808856010301830 2025 eng d a0892-755300aFrom signals to sustenance: the role of biogenic amines in insect feeding behavior0 aFrom signals to sustenance the role of biogenic amines in insect cJUN a150 v383 a

Insect feeding is a complex and finely-tuned behavior that notably impacts their physiological and metabolic processes. Chemical signals and cues, chemosensation, motor response, and physiological changes govern responses to food resources. The role of biogenic amines in regulating feeding is essential, as they significantly affect locomotory changes and nutrient assimilation. Octopamine, tyramine, dopamine, serotonin, and other biogenic amines are neuromodulators, neurotransmitters, and neurohormones. Octopamine and tyramine have contrasting effects on food-seeking and foraging behavior regulation. The interaction among biogenic amines and their respective receptors initiates diverse signaling pathways by modifying the concentrations of intracellular secondary messengers like Ca2+, AMP, and other molecules. These signal transductions regulate various physical and metabolic processes, directly influencing feeding behavior and digestive physiology. Furthermore, dopamine triggers a negative response, whereas serotonin plays a positive role in regulating feeding behavior. Biogenic amines underlie synchronized and interconnected molecular mechanisms, along with unique individual effects. It is fascinating to consider these interrelated activities and the impacts of bioamine on insect feeding behavior. In this review, we discuss the roles of insect biogenic amines and their cross-talk in insect feeding and foraging behavior.

10aBiogenic amines10afeeding behavior10aoctopamine10aSignal transduction10atyramine1 aPatil, Yogita, P.1 aJoshi, Rakesh, S. uhttps://library.ncl.res.in/content/signals-sustenance-role-biogenic-amines-insect-feeding-behavior00471nas a2200169 4500008004100000022001400041245003400055210003000089260000800119490000800127100002400135700002300159700002000182700001800202700002300220856005800243 2025 eng d a0032-088900aIs GCR1 the GPR157 of plants?0 aGCR1 the GPR157 of plants cFEB0 v1971 aGotkhindikar, Aditi1 aChakravorty, David1 aSengupta, Durba1 aJoshi, Manali1 aAssmann, Sarah, M. uhttps://library.ncl.res.in/content/gcr1-gpr157-plants02034nas a2200205 4500008004100000245013200041210006900173260000800242300001500250490000600265520125700271100004001528700001401568700002901582700001901611700001801630700002401648700002601672856013001698 2025 eng d00aGraphene oxide-cyclopentylamine (GO-d-CP) liquid crystals as a novel alignment medium for anisotropic nmr with analyte recovery0 aGraphene oxidecyclopentylamine GOdCP liquid crystals as a novel  cAPR ae2024000390 v53 a

In this study, we present graphene oxide derivatized with cyclopentylamine (GO-d-CP) as a DMSO-compatible liquid crystal alignment medium that is free from any background NMR signal for application in anisotropic NMR. This novel alignment medium facilitates optimal isotropic and anisotropic conditions within a single sample preparation, controlled by sonication, thereby enabling the measurement of anisotropic NMR parameters- residual dipolar couplings (RDC) and residual chemical shift anisotropy (RCSA). GO-d-CP offers several advantages, including ease of synthesis, isolation of solid GO-d-CP as a stable non-hygroscopic material, and maintenance of the anisotropic state stability >30 days, allowing for prolonged and repetitive experiments. Notably, post the analysis it allows for easy recovery of valuable analytes as well as GO-d-CP for reuse, enabling the routine application of anisotropic NMR in structural analysis of small molecules. We demonstrate its efficacy by analyzing the relative stereochemistry of four compounds - estrone, santonin, griseofulvin, and cinmethylin - using anisotropic NMR data.

1 aJatheendranath, Sandesh, Chickmagal1 aDas, Akhi1 aDeshpande, Sudhindra, H.1 aNath, Nilamoni1 aMaier, Walter1 aStreitferdt, Verena1 aMarelli, Udaya, Kiran uhttps://library.ncl.res.in/content/graphene-oxide-cyclopentylamine-go-d-cp-liquid-crystals-novel-alignment-medium-anisotropic02128nas a2200169 4500008004100000022001400041245010600055210007000161260000900231300001400240490000700254520149100261100002601752700002501778700002501803856013001828 2025 eng d a0887-062400aGraphitic-C3N4/γ-Al2O3 composite catalyst for synthesis of 5-(Hydroxymethyl) furfural from d-Glucose0 aGraphiticC3N4γAl2O3 composite catalyst for synthesis of 5Hydroxy cAPR  a8529-85390 v393 a

Currently, the synthesis of 5-hydroxymethylfurfural (5-HMF), with high yields and selectivity from different renewable sources, is an important focus in the biomass conversion area. In the present study, a g-C3N4/gamma-Al2O3(1:1) composite catalyst was prepared using graphitic carbon nitride (g-C3N4) and acidic gamma-alumina (gamma-Al2O3), which was evaluated for its catalytic activity in converting sugars, mainly glucose, to 5-HMF. In the g-C3N4/gamma-Al2O3(1:1) catalyst, N-containing groups on g-C3N4 provided basicity and gamma-Al2O3 provided Lewis acidity to the catalyst. The g-C3N4/gamma-Al2O3(1:1) composite catalyst showed superior activity for 5-HMF synthesis compared to gamma-Al2O3 and g-C3N4 alone. The increased acidic and basic properties of the g-C3N4/gamma-Al2O3(1:1) catalyst significantly influenced both glucose-to-fructose isomerization and dehydration of fructose to HMF by increasing the yield of 5-HMF. In addition, the solvent DMSO:water also played an important role in the one-pot conversion of glucose to HMF by minimizing side reactions, which significantly improved the 5-HMF yield. The reaction was optimized for various solvents, temperatures, and catalyst concentrations to get a maximum yield of 91% from glucose with >99% selectivity of crude 5-HMF. Other sugars like fructose, sucrose, and lactose also provided good yields of 5-HMF. The g-C3N4/gamma-Al2O3(1:1) catalyst was stable and was effectively reused for up to four cycles.

1 aKirdant, Swapnali, P.1 aGhadge, Sambhaji, S.1 aJadhav, Vrushali, H. uhttps://library.ncl.res.in/content/graphitic-c3n4%CE%B3-al2o3-composite-catalyst-synthesis-5-hydroxymethyl-furfural-d-glucose02395nas 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-feedstocks01697nas 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-pt3co01795nas 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-metal02435nas a2200277 4500008004100000245012900041210006900170260000800239300001300247490000700260520148800267100001901755700002101774700001701795700002401812700002501836700001901861700002101880700001801901700002001919700002201939700002701961700001801988700002802006856012302034 2025 eng d00aIdentification of genetic variations linked to buparvaquone resistance in Theileria annulata infecting dairy cattle in India0 aIdentification of genetic variations linked to buparvaquone resi cJUL ae03262430 v203 a

Buparvaquone (BPQ) is used for the treatment of bovine theileriosis, a tickborne disease caused by parasites of the Theileria genus. Studies on T. annulata have linked the mechanism of BPQ resistance predominantly to genetic variations in the parasite cytochrome b (cytb) gene. In addition, cryptic mechanisms of resistance involving the parasite peptidyl-prolyl isomerase (pin1) and dihydroorotate dehydrogenase (dhodh) genes require assessment. In India, where bovine theileriosis is endemic, and BPQ is widely used for treatment, it is necessary to establish the prevalence of genetic variations linked to BPQ resistance. In this study, multiplexed PCR amplification and nanopore sequencing method was used for genotyping the complete gene loci of the three target genes. Analysis of 454 T. annulata field samples collected from seven different states of India revealed the presence of previously reported BPQ resistance associated variations S129G, A146T and P253S in cytb gene and A53P in pin1 gene. The A146T and I203V variations in cytb were found to be prevalent and mostly co-occurring, and their role in BPQ resistance needs further evaluation. This study has revealed the presence of previously reported BPQ resistance-linked mutations in cytb and pin1 genes in T. annulata infecting dairy cattle in India and establishes an Oxford nanopore sequencing method suitable for large-scale surveillance of genetic variation in Theileria parasites from field samples.

1 aMusale, Pankaj1 aKhilari, Ajinkya1 aGade, Rohini1 aDhanikachalam, Velu1 aJadhav, Santoshkumar1 aBajpai, Manali1 aTurakani, Bhagya1 aJoshi, Akshay1 aPrajapati, Amar1 aSrivastava, Anand1 aSwaminathan, Marimuthu1 aJoshi, Sachin1 aShanmugam, Dhanasekaran uhttps://library.ncl.res.in/content/identification-genetic-variations-linked-buparvaquone-resistance-theileria-annulata02916nas a2200181 4500008004100000022001400041245012700055210006900182260000800251300001600259490000700275520223300282100002402515700002402539700001802563700002402581856012902605 2025 eng d a2050-748800aIn situ engineered triple phase boundary enhancement in 3D structured carbon supported catalyst for high-temperature PEMFC0 aIn situ engineered triple phase boundary enhancement in 3D struc cJUL a21847-218630 v133 a

Enhancing platinum (Pt) utilization in polymer electrolyte membrane fuel cells (PEMFCs) requires optimizing the catalyst support microstructures to expand the triple-phase boundary (TPB). A promising method has been reported here which employs a three-dimensional (3D) catalyst support with an in situ-generated ionomer interface from preadmitted monomer molecules, potentially replacing the traditional Nafion ionomers. The small-sized monomers infiltrate the catalyst's pores, and UV curing polymerizes them into an extended interfacial network within the 3D carbon support. The single-cell analysis of the membrane electrode assemblies (MEAs) in high-temperature PEMFCs (HT-PEMFCs) using phosphoric acid-doped polybenzimidazole (PBI) membranes highlights the effectiveness of this approach. The strategy helps to achieve a current density of 1.06 A cm-2 and 0.49 A cm-2 at 0.60 V in H2-O2 and H2-air feed conditions, respectively. These values represent a significant improvement over the conventional Nafion ionomer-based MEAs, which exhibit current densities of 0.87 A cm-2 and 0.40 A cm-2 under H2-O2 and H2-air feeds, respectively, when utilizing a platinum-supported carbon (Pt/C) catalyst. When Pt nanoparticles are decorated on a high-surface-area, porous 3D interconnected carbon support synthesized via the carbonization of the polydopamine-coated melamine foam (Pt/3DPDC), the conventional Nafion ionomers tend to block the nanopores in the 3D carbon supports, leading to the underutilization of the Pt active sites. In contrast, the in situ ionomer approach enabled the system to deliver 0.93 A cm-2 at 0.60 V H2-O2 feed conditions, which is significantly higher than 0.38 A cm-2 obtained with the Nafion-based ionomers under similar conditions. This approach successfully makes use of the Pt active sites present in the nanopores and tackles the issues of mass transfer and reactant distribution, both of which are essential for expanding fuel cells from single cells to stacks. The exhibited method emphasizes how crucial it is to develop process-friendly electrocatalysts and complementary electrode manufacturing techniques in order to advance the PEMFC performance through a novel scientific path.

1 aPandikassala, Ajmal1 aJadhav, Swapnil, D.1 aKurian, Maria1 aKurungot, Sreekumar uhttps://library.ncl.res.in/content/situ-engineered-triple-phase-boundary-enhancement-3d-structured-carbon-supported-catalyst02236nas a2200265 4500008004100000022001400041245014200055210006900197260000800266300001600274490000700290520129400297653001801591653004401609653002701653653002301680653001901703100001901722700001801741700001701759700002101776700001801797700002501815856013001840 2025 eng d a1944-824400aInvestigations into the nucleation dynamics of the stable Na-metal anode: revealing the role of a tin-infused carbon nanofiber interlayer0 aInvestigations into the nucleation dynamics of the stable Nameta cFEB a12281-122900 v173 a

Fundamental understanding and controlling of sodium nucleation are essential for enhancing the performance, safety, and longevity of sodium metal batteries, which is not yet clearly understood in the case of sodium metal batteries. The present study showcases how a modification in the host material influences nucleation kinetics. Current-time transient studies on copper, carbon nanofiber, and tin-embedded carbon nanofiber interlayers employing the Scharifker-Hills model elucidate the mode of nucleation. This work tries to delve deep and presents a case study on how a tin-based interlayer can not only minimize the barrier for sodium nucleation but also direct the sequential progressive and instantaneous nucleation of sodium metal while reducing the overpotential substantially, resulting in crystalline, uniform Na-metal deposition. Further, to account for the complex dynamics of solid electrolyte interphase (SEI) formation distinctly associated with alkali metal deposition, the SEI-fracture model has been included, and the quantification of electrochemical nucleation parameters is obtained. The results provide important insights into the sodium nucleation mechanism, paving the way to counter dendrite formation and SEI dissolution issues of the Na-metal anode.

10aoverpotential10aprogressiveand instantaneous nucleation10aScharifker-Hills model10aSEI-fracture model10atin interlayer1 aWasnik, Kundan1 aYadav, Poonam1 aAhuja, Manuj1 aMirzapure, Vinay1 aJohari, Priya1 aShelke, Manjusha, V. uhttps://library.ncl.res.in/content/investigations-nucleation-dynamics-stable-na-metal-anode-revealing-role-tin-infused-carbon02510nas a2200265 4500008004100000022001400041245015000055210006900205260000800274300001100282490000800293520158100301653001601882653001001898653002501908653002101933653002901954653001601983100002301999700002502022700002302047700002102070700002202091856013102113 2025 eng d a0141-813000aLDH-dsRNA nanocarrier-mediated spray-induced silencing of juvenile hormone degradation pathway genes for targeted control of Helicoverpa armigera0 aLDHdsRNA nanocarriermediated sprayinduced silencing of juvenile  cDEC a1486730 v3323 a

Helicoverpa armigera, a devastating agricultural pest, poses significant threats to global crop productivity. Targeting the Juvenile Hormone (JH) degradation pathway may offer a promising approach for pest management, given its pivotal role in insect development and reproduction. In this study, we developed a nanoclay-based formulation of double-stranded RNA (dsRNA) targeting three key JH degradation pathway genes: Juvenile Hormone Esterase (HaJHE), Juvenile Hormone Epoxy Hydrolase (HaJHEH), and Juvenile Hormone Diol Kinase (HaJHDK). Expression analysis revealed tissue and stage-specific patterns of these genes, with qRT-PCR confirming high expression levels of specific isoforms in key developmental transition: the pre-pupal stage. Treatment with bacterially expressed dsRNAs achieved >50 % silencing of target genes, resulting in delay in larval-to-pupal transitions. Bioassay demonstrated that treatment with LDH-based dsRNA nanocarrier resulted in downregulation of target genes, causing developmental delays, including prolonged larval and pupal stages. Metabolomic analysis further indicated reduced accumulation of JH degradation pathway metabolites, highlighting the pathway-specific action of dsRNAs. Furthermore, combinatorial application of dsRNAs resulted in higher mortalities compared to individual dsRNA application. These results suggest that the application of the LDH-based dsRNA nanocarrier formulation against H. armigera JH degradation pathway for spray-induced gene silencing could serve as a potential insect management strategy.

10aDevelopment10adsRNA10aHelicoverpa armigera10aJuvenile hormone10aLayered double hydroxide10aNanocarrier1 aJoshi, Kaumudi, S.1 aBarvkar, Vitthal, T.1 aHadapad, Ashok, B.1 aHire, Ramesh, S.1 aJoshi, Rakesh, S. uhttps://library.ncl.res.in/content/ldh-dsrna-nanocarrier-mediated-spray-induced-silencing-juvenile-hormone-degradation-pathway02600nas a2200289 4500008004100000245015500041210006900196260000800265300001400273490000600287520161600293100002001909700001801929700001801947700002101965700001701986700001502003700001902018700001902037700002502056700001902081700002002100700001902120700002602139700001902165856012602184 2025 eng d00aLong-term genomic surveillance of SARS-CoV-2 in campus wastewater depicts lineage trends and public health implications during and after omicron waves0 aLongterm genomic surveillance of SARSCoV2 in campus wastewater d cJUN a908–9190 v33 a

SARS-CoV-2 transmission and detection on academic campuses in low- to middle-income countries has not been explored. The present study explored wastewater surveillance of SARS-CoV-2 in a campus setting in Pune, Maharashtra, India, offering insights into variant-specific trends and their correlation with clinical cases over a 2.5 year period from November 2021 to April 2024. We collected 242 wastewater samples from the campus sewershed and processed them to extract RNA and perform RT-qPCR and sequencing, followed by lineage assignment using the LCS tool. Early signals of different SARS-CoV-2 variants, such as BA.2.X, JN.1.X, and KP.2.X, were detected in wastewater prior to its first clinical report in Maharashtra, India. Wastewater viral load strongly correlated with clinical cases during the Omicron phase (ρ = 0.73–0.81) compared to the post-Omicron phase (ρ = −0.06 to 0.31). This study also highlights that alerts and warnings issued on the basis of wastewater viral hikes have proven instrumental in preventing outbreaks of SARS-CoV-2 variants on campus. However, downgrading COVID-19 from pandemic status by the WHO resulted in a subsequent decrease in public vigilance, changing the viral dynamic in the last phase of the study. This study showcases the utility of wastewater surveillance in a campus setting as an early warning system and understands the interplay of public health policy effects in viral dynamics within controlled ecosystems, such as campuses or offices.

1 aPramanik, Rinka1 aRajput, Vinay1 aMalik, Vinita1 aNannaware, Kiran1 aMatra, Sejal1 aJoshi, Sai1 aKumar, Shubham1 aSamson, Rachel1 aYadav, Rakesh, Kumar1 aShah, Priyanki1 aShashidhara, LS1 aDastager, Syed1 aKarmodiya, Krishanpal1 aDharne, Mahesh uhttps://library.ncl.res.in/content/long-term-genomic-surveillance-sars-cov-2-campus-wastewater-depicts-lineage-trends-and02285nas a2200265 4500008004100000022001400041245008800055210006900143260000800212490000700220520133500227653003301562653001401595653001501609653003101624653003001655100003001685700003401715700002901749700003301778700003201811700002601843700003001869856012001899 2025 eng d a2192-650600aMechanochemical large-scale rapid synthesis of ultrapure sodium hexafluorophosphate0 aMechanochemical largescale rapid synthesis of ultrapure sodium h cJUL0 v903 a

Among the sodium battery electrolytes, sodium hexafluorophosphate (NaPF6) exhibits superior conductivity, anodic stability, and stable cathode electrolyte interface compared to other electrolytes. Therefore, the synthesis of pure NaPF6 through a simple process is very important. Usually, NaPF6 is synthesized using HF. In our approach, NaPF6 is synthesized by grinding dry ammonium hexafluorophosphate (NH4PF6) and sodium metal. Sodium injects an electron into the ammonium ion, which results in the formation of ammonia and hydrogen. The gram scale synthesis is completed in about 30 min. Purification of the product is not needed. The product purity is confirmed by various spectroscopic and electrochemical techniques. Usually, NaPF6 comprises NaF, HF, and solvents as impurities that affect the performance of SIBs. It has been confirmed that the NaPF6 synthesized by our mechanochemical approach in the absence of solvent is devoid of impurities despite the absence of product purification step. Furthermore, the synthesis of pure NaPF6 (250 g) is demonstrated using a grinder used as household item in cooking Indian pancakes, which costs about 300 USD. The duration of the synthesis of 250 g pure NaPF6 is 1 h. The purity of this sample is comparable to that of NaPF6 (5 g) synthesized using mortar and pestle.

10aammonium hexafluorophosphate10aBatteries10acarbonates10asodium hexafluorophosphate10asodium vanadium phosphate1 aSenthilkumaran, Marimuthu1 aJavaregowda, Bharathkumar, H.1 aRajendran, Prakash, Babu1 aBalasubramanian, Rajalakshmi1 aAjithkumar, Thalasseril, G.1 aRavindranathan, Sapna1 aKrishnamoorthy, Kothandam uhttps://library.ncl.res.in/content/mechanochemical-large-scale-rapid-synthesis-ultrapure-sodium-hexafluorophosphate01581nas a2200145 4500008004100000245011300041210006900154260000900223300001100232490000700243520102200250100001901272700001801291856012601309 2025 eng d00aMH-PCTpro: a machine learning model for rapid prediction of pressure-composition-temperature (PCT) isotherms0 aMHPCTpro a machine learning model for rapid prediction of pressu cAPR  a1122510 v283 a

We present a machine-learning powered Metal Hydride's Pressure-Composition-Temperature isotherm Predictor (MH-PCTpro) for metal compositions. To train the MH-PCTpro, an experimental database of PCT isotherms is built from published literature. The database comprises over 14,000 data points extracted from 237 PCT isotherms representing 138 distinct compositions. The dataset encompasses more than 25 elements and spans a broad spectrum of absorption temperatures (263-653 K) and hydrogen pressures (0.001-40 MPa). The model is validated on a wide range of alloy families and its predictions are consistent with experimental results. The model also captures temperature-dependent variations in plateau pressure, enabling determination of enthalpy and entropy of hydride formation through Van't Hoff plots. Hence, MH-PCTpro can be used as an ML tool for guiding PCT experiments, offering PCT isotherm predictions and valuable thermodynamic insights into materials suitable for solid-state hydrogen storage.

1 aVerma, Ashwini1 aJoshi, Kavita uhttps://library.ncl.res.in/content/mh-pctpro-machine-learning-model-rapid-prediction-pressure-composition-temperature-pct05625nas a2200145 4500008004100000245009000041210006900131260000800200300001100208490000600219520509600225100002405321700002505345856010905370 2025 eng d00aModification of some steps in the synthesis of Ivacaftor by mechano-chemical approach0 aModification of some steps in the synthesis of Ivacaftor by mech cDEC a1000970 v73 a

Recently implementation of the mechano-chemistry approach for carrying out some of the steps in the synthesis of API’s, is considered an attractive and environment friendly approach as it permits solvent-free reactions or the use of activators for the reaction, making the process efficient and economical. In this study, we focused on the modification of some steps in the drug Ivacaftor, which is one of the most expensive drugs in the market. For the first time, a mechano-chemical approach was employed to replace some steps in the synthesis of Ivacaftor. One of the fragment 5-amino-2,4-di‑tert‑butyl‑phenol (5) required in the synthesis of Ivacaftor was prepared in two steps from commercially available 2, 4-bis(1,1-dimethylethyl)-5-nitrophenyl methyl carbonate (6) by mechano-chemistry approach in good yields. In the last step, fragment 5-amino-2,4-di‑tert‑butyl‑phenol (5) was coupled with 4-quinolone-3-carboxylic acid (4) using mechano-chemistry to obtain Ivacaftor (1) in good yields. The advantage of this methodology was it avoided the use of solvent in all three steps of ivacaftor synthesis, making the process efficient and economical.

1 aBankar, Shubham, R.1 aJadhav, Vrushali, H. uhttps://library.ncl.res.in/content/modification-some-steps-synthesis-ivacaftor-mechano-chemical-approach02225nas a2200373 4500008004100000022001400041245018900055210006900244260000800313300000600321490000700327520095400334653001601288653004301304653002401347653001501371653003401386100002001420700002101440700001801461700001901479700002301498700002101521700002401542700002501566700001801591700001801609700001901627700001601646700001901662700001901681700001901700856013201719 2025 eng d a1867-033400aMonitoring influenza A (H1N1, H3N2), RSV, and SARS-CoV-2 using wastewater-based epidemiology: A 2-year longitudinal study in an Indian megacity covering omicron and post-omicron phases0 aMonitoring influenza A H1N1 H3N2 RSV and SARSCoV2 using wastewat cMAR a30 v173 a

{The bourgeoning field of wastewater-based epidemiology (WBE) for the surveillance of several respiratory viruses which includes Influenza A, H1N1pdm09, H3N2, respiratory syncytial viruses (RSV), and severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is of interest for public health concerns. However, there are few long-term monitoring studies globally. In this study, respiratory viruses were detected and quantified from 11 sewer sheds by utilizing reverse transcription-quantitative polymerase chain reaction analysis in Pune city, India, from Jan 2022 to Dec 2023. The RNA fragments of respiratory viruses were detected in sewage samples before clinical cases were reported, underscoring the potential of WBE for early detection and monitoring within the population. The Spearman correlation of wastewater viral copies was positively and significantly correlated with the clinically positive case of H1N1pdm09 (rho = 0.55

10aInfluenza A10aQuantitative reverse transcription-PCR10aRespiratory viruses10aSARS-CoV-210aWastewater-based epidemiology1 aPramanik, Rinka1 aNannaware, Kiran1 aMalik, Vinita1 aShah, Priyanki1 aSangewar, Poornima1 aGogate, Niharika1 aShashidhara, L., S.1 aBoargaonkar, Radhika1 aPatil, Dhawal1 aKale, Saurabh1 aBhalerao, Asim1 aJain, Nidhi1 aKamble, Sanjay1 aDastager, Syed1 aDharne, Mahesh uhttps://library.ncl.res.in/content/monitoring-influenza-h1n1-h3n2-rsv-and-sars-cov-2-using-wastewater-based-epidemiology-2-year01671nas a2200169 4500008004100000022001400041245015500055210006900210260000800279300001400287490000700301520099700308100002101305700002301326700002401349856012801373 2025 eng d a1523-706000aNHC-catalyzed allylation of aldehydes with MBH carbonates and their michael addition-elimination-cope rearrangement cascade: a route to rac-sacubitril0 aNHCcatalyzed allylation of aldehydes with MBH carbonates and the cMAY a5911-59160 v273 a

We report herein a novel NHC-catalyzed transition-metal-free chemoselective allylation of aldehydes with Morita-Baylis-Hillman (MBH) carbonates using an inorganic base. Fascinatingly, the use of an organic base follows a different mechanism, leading to highly functionalized 1,5-dienes via a Michael addition-elimination reaction followed by [3,3]-sigmatropic Cope rearrangement. The described method harnesses a new Csp2-Csp3 bond to access alpha-methylene-gamma-oxo-gamma-substituted ester derivatives paving a way to facile synthesis of potent natural products and active pharmaceutical ingredients (APIs). A broad range of aromatic and aliphatic aldehydes with MBH carbonates was employed to provide a variety of interesting butanoate and dienyl ketone scaffolds in good to excellent yields. This chemistry has been extended to the efficient syntheses of rac-sacubitril API and gamma-butyrolactone scaffold, which is a privileged core present in many natural products and APIs

1 aKale, Tushar, B.1 aJagtap, Sayali, G.1 aMhaske, Santosh, B. uhttps://library.ncl.res.in/content/nhc-catalyzed-allylation-aldehydes-mbh-carbonates-and-their-michael-addition-elimination01392nas a2200217 4500008004100000022001400041245011700055210006900172260000900241300001600250490000700266520061400273100002500887700002100912700002500933700002300958700002900981700001601010700002301026856012501049 2025 eng d a1523-706000aNHC/Phosphite Nickel(II) Precatalysts for the C-N Cross-Coupling of (Hetero)Aryl Chlorides under Mild Conditions0 aNHCPhosphite NickelII Precatalysts for the CN CrossCoupling of H cSEP  a10526-105310 v273 a

We report the synthesis of three nickel complexes based on Ni(NHC)[P(OR)3](Ar)Cl and their application in C(sp 2)-N cross-coupling reactions. Reactions involving secondary amines proceeded at room temperature, while anilines and primary alkyl amines coupled under mild heating. The reported complexes are air-stable as solids, operate at low catalytic loading, and do not require an exogenous ligand. Mechanistic studies suggest both free and Ni-bound phosphite are present during the reaction and that an isolated [Ni(NHC)(amine)(Ar)Cl] complex could be an on-cycle, catalytically active species.

1 aDarandale, Nutan, R.1 aJohn, Morgan, E.1 aMoggach, Stephen, A.1 aSawant, Dinesh, N.1 aKoutsantonis, George, A.1 aDorta, Reto1 aStewart, Scott, G. uhttps://library.ncl.res.in/content/nhcphosphite-nickelii-precatalysts-c-n-cross-coupling-heteroaryl-chlorides-under-mild02702nas a2200265 4500008004100000022001400041245010900055210006900164260000800233300001400241490000700255520179800262653003302060653002602093653001402119653003002133653001402163100002602177700002402203700001402227700002202241700002302263700002002286856013002306 2025 eng d a0965-040700aNigericin-induced apoptosis in acute myeloid leukemia via mitochondrial dysfunction and oxidative stress0 aNigericininduced apoptosis in acute myeloid leukemia via mitocho cAUG a2161-21740 v333 a

Background: Acute Myeloid Leukemia (AML) is a highly aggressive clonal hematological malignancy with limited treatment options. This study aimed to evaluate the therapeutic potential of nigericin, a polyether ionophore derived from Streptomyces DASNCL-29, as a mitochondrial-targeted agent for AML treatment. Methods: Nigericin was isolated from Streptomyces DASNCL-29 and characterized via chromatography and NMR. Its cytotoxicity was tested in MOLM13 (sensitive and venetoclax-resistant) and HL60 (sensitive and cytarabine-resistant) cells using the MTT assay. Mitochondrial dysfunction was assessed by measuring reactive oxygen species (ROS), mitochondrial membrane potential (Arum), and mitochondrial mass. Apoptosis was evaluated with Annexin V/PI assays and immunoblotting, while proteomic analysis was conducted using Liquid Chromatography-Tandem Mass Spectrometry (LC-MS/MS) to identify differentially regulated proteins. Results: Nigericin demonstrated potent cytotoxicity with IC50 values of 57.02 nM in MOLM13-sensitive, 35.29 nM in MOLM13-resistant, 20.49 nM in HL60-sensitive, and 1.197 nM in HL60-cytarabine-resistant cells. Apoptosis was confirmed by Annexin V/PI staining and caspase-3/PARP cleavage, along with MCL-1 downregulation. Mitochondrial dysfunction was evident from increased ROS, reduced Arum, and decreased mitochondrial mass. Proteomic profiling identified 264 dysregulated proteins, including a 3.8-fold upregulation of Succinate Dehydrogenase [Ubiquinone] Flavoprotein Subunit A (SDHA). Conclusion: Nigericin induces apoptosis in AML cells by disrupting mitochondrial function and enhancing oxidative stress. Its nanomolar potency highlights the need for further mechanistic studies and in vivo evaluations to explore its potential in AML treatment.

10aAcute myeloid leukemia (AML)10aAntineoplastic agents10aApoptosis10aMitochondrial dysfunction10aNigericin1 aArun, Bhavyadharshini1 aGopinath, Prarthana1 aJha, Anup1 aTripathi, Nishtha1 aDastager, Syed, G.1 aHasan, Syed, K. uhttps://library.ncl.res.in/content/nigericin-induced-apoptosis-acute-myeloid-leukemia-mitochondrial-dysfunction-and-oxidative02356nas a2200265 4500008004100000022001400041245014500055210007000200260000800270300001100278490000800289520139600297653002901693653002701722653002201749653002401771653002601795100002701821700002301848700002001871700002201891700002001913700002201933856013501955 2025 eng d a0141-813000aNovel bifunctional inhibitor of protease and α-amylase from Clitorea ternatea restricts the growth and development in Spodoptera frugiperda0 aNovel bifunctional inhibitor of protease and αamylase from Clito cMAY a1411800 v3053 a

An inhibitor molecule capable of inhibiting a wide range of digestive enzymes without affecting endogenous enzymes is always desirable. We report characterization of CteTAI (M.W. 14 kDa), a bifunctional inhibitor (BFI) protein from the seeds of Clitoria ternatea capable of inhibiting trypsin and alpha-amylase. It retains trypsin inhibition activity up to 60 degrees C and alpha-amylase inhibition up to 40 degrees C. Trypsin inhibition is stable across pH 1-12, while alpha-amylase inhibition is stable between pH 3-7. CteTAI is a noncompetitive inhibitor of trypsin and an uncompetitive inhibitor of alpha-amylase. It selectively inhibits proteases and alpha-amylases from various sources, without affecting alpha-amylase from human saliva and Bacillus spp. Proteomic analysis identified CteTAI as a bifunctional inhibitor exhibiting 41 % similarity to a bifunctional inhibitor from Sesbania bispinosa. Feeding Spodoptera frugiperda larvae with CteTAI-infused diet impaired energy metabolism, resulting in undernourished larvae and malformed adults incapable of flight and mating. Key nutritional indices (RGR, RCR, %ECI, %FDI) were severely reduced, indicating that CteTAI disrupts growth and development by inhibiting multiple protease and alpha-amylase isoforms. Biochemical characterization of newly identified CteTAI suggests its potential application in crop protection.

10aalpha-Amylase inhibitors10aBifunctional inhibitor10aClitoria ternatea10aProtease inhibitors10aSpodoptera frugiperda1 aDongare, Pratiksha, M.1 aMadage, Varsha, A.1 aDeshpande, Neha1 aJoshi, Rakesh, S.1 aGiri, Ashok, P.1 aPawar, Pankaj, K. uhttps://library.ncl.res.in/content/novel-bifunctional-inhibitor-protease-and-%CE%B1-amylase-clitorea-ternatea-restricts-growth-and02236nas a2200181 4500008004100000022001400041245012100055210006900176260000800245300001600253490000700269520155800276100001601834700002201850700002401872700003001896856012801926 2025 eng d a0020-166900aPortal substituent modulations in chiral imido-Pd(II) cages for the enhanced separation of styrene oxide enantiomers0 aPortal substituent modulations in chiral imidoPdII cages for the cMAY a10313-103190 v643 a

Sensing and separation of enantiomers are crucial for the synthesis of biologically relevant compounds as well as for applications in catalysis and pharmaceutical development. Chiral coordination cages have gained significant attention as effective platforms for enantioselective processes through their well-defined, tunable cavities that facilitate host-guest interactions. In this study, we systematically explored the enantioselective binding and separation properties of two tetrahedral Pd(II) cages, 1-R and 2-R, with the molecular formula [Pd3(PO[N(RCH(CH3)Ph)3])4(C6O4X2)6] (X = Cl for 1-R, and X = F for 2-R). Their enantioselective abilities were investigated for small chiral molecules with diverse functional groups. Notably, the 2-R cage demonstrated a high enantioselectivity value of 88 for R-styrene oxide. Chiral separation experiments further revealed impressive enantiomeric excess (ee) values of 98% for R-styrene oxide from their racemic mixtures upon desorption from 2-R. The enhanced selectivity and separation efficiency were attributed to an optimal guest-to-cavity fit and the presence of multiple interaction sites within the host framework. Remarkably, portal substituent modulation in 2-R led to a 16-fold enhancement in enantioselective separation efficiency compared to 1-R, primarily due to improved portal dimensions, tighter molecular packing, and increased hydrogen bonding interactions. These findings highlight the potential of neutral chiral coordination cages for various enantioselective applications.

1 aJose, Cavya1 aSarkar, Abhradeep1 aKhopade, Kishor, V.1 aBoomishankar, Ramamoorthy uhttps://library.ncl.res.in/content/portal-substituent-modulations-chiral-imido-pdii-cages-enhanced-separation-styrene-oxide02452nas a2200229 4500008004100000022001400041245013900055210006900194260000800263490000600271520157000277653003001847653003001877653004301907100002401950700002701974700002202001700002402023700002002047700002402067856013102091 2025 eng d a2366-748600aPt-based 3D electrocatalyst with process-friendly features for PEMFCs possessing fast activation and improved mass-transfer properties0 aPtbased 3D electrocatalyst with processfriendly features for PEM cAPR0 v93 a

Polymer-electrolyte-membrane fuel cells (PEMFCs) face the challenges like slow oxygen reduction reaction (ORR) kinetics and limited mass transport at high current densities, which affects their performance. The efficient water removal from the cathode is essential to improve oxygen diffusion. Addressing this, a catalyst is presented with platinum (Pt) nanoparticles distributed within a 3D carbon network (Pt/3DPDC) derived from the polydopamine-coated melamine foam. This unique architecture enhances Pt utilization and water management due to its high porosity and ample free spaces, providing a process-friendly feature for the electrode under PEMFC conditions. The pores and accessible texture of the 3D polydopamine derived carbon (3DPDC) framework facilitate ionomer uptake during the electrode fabrication, extending the active triple-phase boundary and improving the membrane electrode assembly (MEA) performance. The high porosity of Pt/3DPDC is mitigated by adding a small amount of commercial fuel cell catalayst (Pt/C), which maintains the effective catalyst number density per unit area by utilizing the excess porosity of the 3DPDC framework. This controlled interplay of the unique catalyst structure and spatially confined distribution of Pt/C within the Pt/3DPDC framework offers fast activation, reduced electrode flooding, and improved current densities across the operating potential window. This carefully engineered catalyst, designed through bottom-up strategies, is a promising electrocatalyst for practical PEMFC applications.

10aOxygen Evolution Reaction10aoxygen reduction reaction10arechargeable flexible zinc-air battery1 aPandikassala, Ajmal1 aNadumattuvayil, Varsha1 aSingh, Mayank, U.1 aJadhav, Swapnil, D.1 aYoyakki, Athira1 aKurungot, Sreekumar uhttps://library.ncl.res.in/content/pt-based-3d-electrocatalyst-process-friendly-features-pemfcs-possessing-fast-activation-and02981nas a2200277 4500008004100000022001400041245015800055210006900213260000800282300001600290490000700306520197400313653002102287653003202308653002102340653002902361653002202390653003802412100002002450700001802470700002402488700002402512700001802536700002402554856012502578 2025 eng d a2155-543500aA Pt-Based Carbon-Free Cathode with Embedded Oxygen Nanoreservoirs: A Promising Approach for Oxygen Buffering to Aid Oxygen Reduction Reactions of PEMFCs0 aPtBased CarbonFree Cathode with Embedded Oxygen Nanoreservoirs A cNOV a19677-196940 v153 a

For practical applications of proton exchange membrane fuel cells (PEMFCs), the system needs to be operated by employing air in the cathode instead of pure oxygen (O2). This makes it necessary to develop innovative electrode engineering solutions so that the system can function well even in oxygen-lean environments under the realistic working conditions of PEMFCs. Taking this into account, we introduce Pt/SiO2@CeO2-30%, an engineered electrocatalyst with potentially generated oxygen vacancies (Ov), which can immensely contribute toward the enhancement in the O2 availability in oxygen-lean conditions like the air feed conditions, allowing an effective control of the overpotential related to the oxygen reduction reactions (ORRs) at the electrode level. The meticulously crafted Pt-CeO2 interface serves as one of the appreciable structural attributes of the present catalyst, facilitating oxygen spillover toward the Pt environment, aided by the creation of the immense Ov along the nano CeO2 phase of the catalyst. In addition to the benefit of addressing the oxygen-lean conditions and overcoming the limitations of the state-of-the-art catalysts, usage of a noncarbonaceous support like SiO2 to house the Pt and CeO2 nanoparticles has been anticipated to lessen the corrosion problems, a major drawback associated with the carbon-based ORR catalysts. Apart from this, a significant contribution of SiO2 to the self-humidification of the ionomer interface plays a crucial role in enabling the MEA to work under low relative humidity conditions, which can be attributed to an additional benefit of the current composition of the catalyst. The catalyst demonstrated a promising ORR performance with a substantial improvement in H2-air feed circumstances and better corrosion resistance when tested with a membrane electrode assembly (MEA) in a single-cell configuration, illustrating the practical feasibility in a realistic system-level validation.

10acarbon corrosion10acarbon-free electrocatalyst10aoxygen buffering10aoxygen reductionreaction10aoxygen spill over10aprotonexchange membrane fuel cell1 aYoyakki, Athira1 aKumar, Sachin1 aPandikassala, Ajmal1 aJadhav, Swapnil, D.1 aVinod, C., P.1 aKurungot, Sreekumar uhttps://library.ncl.res.in/content/pt-based-carbon-free-cathode-embedded-oxygen-nanoreservoirs-promising-approach-oxygen02686nas a2200169 4500008004100000245013000041210006900171260000800240300001100248490000700259520202100266100003102287700002702318700002502345700001902370856012702389 2025 eng d00aRapid and sensitive rGO/AuNP-based electrochemical nano-biosensor for detection of E. coli and S. aureus in less than an hour0 aRapid and sensitive rGOAuNPbased electrochemical nanobiosensor f cMAY a0552360 v153 a

Improved diagnostic screening has become critical for bacterial infection identification and prevention. The sensitivity, reliability, repeatability, detection time, and specificity of a test or tool are critical for its translation to application. Electrochemical detection methods are quick and can provide point-of-care diagnosis. We report on reduced graphene oxide/gold (rGO-AuNP) nanocomposites that enabled highly sensitive and quick detection of harmful bacteria, such as E. coli and S. aureus. The technique involved employing rGO as a nano-carrier and Au as a bioactive surface to bind particular antibodies for electrochemical immunoassays. The current approach is culture-independent and does not require sample processing for bacterial detection. It is a pathogen detection technology that uses rGO-AuNP as an electrochemical transducer platform and target particular antibodies for E. coli and S. aureus to obtain improved sensitivity and speed. Differential pulse voltammetry was used to detect infections. These findings demonstrated that rGO-AuNp nanocomposites have up to three times the sensitivity of rGO and AuNP alone. Importantly, the antibody linked bioactive screen-printed electrodes remained stable for more than a month, allowing just electrochemical measurements to be performed at the time of detection. This allowed for pathogen detection in less than an hour. The limit of detection for both E. coli and S. aureus was 2 CFU/ml, making it extremely sensitive. An electrochemical sensor was showing a linear response with R2 0.98. According to the physicochemical evaluation of nanocomposites, the improved sensitivity and stability were caused by a lowered bandgap in composites and uniform distribution of AuNPs on a rGO nano-template. (c) 2025 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution-NonCommercial-NoDerivs 4.0 International (CC BY-NC-ND) license (https://creativecommons.org/licenses/by-nc-nd/4.0/).

1 aSirdeshmukh, Vedashree, V.1 aJoglekar, Shreeram, S.1 aJoshi, Preeti, Nigam1 aKale, Anup, A. uhttps://library.ncl.res.in/content/rapid-and-sensitive-rgoaunp-based-electrochemical-nano-biosensor-detection-e-coli-and-s02397nas a2200253 4500008004100000022001400041245011900055210006900174260000900243490000700252520151700259653001901776653001101795653003001806653002901836653001301865653001401878100002901892700002201921700002501943700001701968700002701985856013102012 2025 eng d a1864-563100aRational design of hydrophobic Cu/CuO electrodes for electrochemical oxygenation of tetralin: a strategic approach0 aRational design of hydrophobic CuCuO electrodes for electrochemi cAUG 0 v183 a

Electro-organic synthesis presents a sustainable and practical alternative to traditional organic synthesis methods, which typically utilize harsh reagents and require energy-intensive conditions. Nevertheless, the challenge of achieving satisfactory conversion and selectivity rates in electrocatalytic oxidation using a non-platinum group metal (PGM) catalyst pair still needs to be addressed. This study demonstrates the application of a non-PGM-based catalyst pair for the electrocatalytic oxidation of tetralin to 1-tetralone, a highly demanded raw material in the pharma industry. Copper electrodeposited on teflonated carbon paper combined with copper foam as the electrocatalyst pair has demonstrated impressive conversion and selectivity ratios to electro-synthesize 1-tetralone at room temperature and atmospheric pressure. The optimal choice of a non-PGM catalyst, ideal mass loading, and a unique electrode configuration resulted in an ultimate conversion of about 99% of tetralin and 1-tetralone selectivity -93.7%, yield -92.6%. The reaction pathway associated with the electrochemical phenomena is supported by first principles-based density functional theory calculations and X-ray photoelectron spectroscopy of the electrocatalyst. This process has exceptional performance that can be adapted for a wide range of substrates and is straightforward, ambient, reagent-free, scalable, and therefore beneficial for industrial use. Therefore, initiatives have been taken in this direction.

10aC-H activation10aCopper10aelectrochemical oxidation10anon-PGM electrocatalysts10atetralin10aTetralone1 aCherukuthota, Sri, Vidya1 aMathew, Elizabeth1 aVerma, Tushar, Singh1 aJoshi, Krati1 aSelvaraj, Kaliaperumal uhttps://library.ncl.res.in/content/rational-design-hydrophobic-cucuo-electrodes-electrochemical-oxygenation-tetralin-strategic02407nas a2200313 4500008004100000245008500041210007000126260000800196300001500204490000700219520144500226653001401671653000801685653001401693653001701707653002001724653000901744100001801753700002201771700003001793700002401823700002001847700001801867700001901885700001901904700002101923700003001944856011901974 2025 eng d00aRegioisomeric π-extended nanographene with long-lived phosphorescence afterglow0 aRegioisomeric πextended nanographene with longlived phosphoresce cFEB ae2024221250 v643 a

The cutouts of graphene sheets, particularly those with a nonplanar topology, present vast opportunities for advancement. Even a slight deviation from the planar structure can lead to intriguing (chiro)optical features for helically twisted nanographenes. In this context, we introduce two regioisomeric pi-extended nanographenes that exhibit distinct excited-state characteristics. The helicene structure and the photophysical features can be easily tuned by changing the connecting position of the nanographene to the carbazole core (2,7- and 3,6-). Single-crystal X-ray diffraction analysis confirmed the formation of nanographenes with bent and helical conformations. Both derivatives exhibited thermally activated delayed fluorescence at room temperature and phosphorescence at low temperatures. Notably, the nanographene with the bent structure displayed an impressive red afterglow lasting over 30seconds, in contrast to the very weak afterglow observed in the helical structure. DFT calculations revealed the existence of an isoenergetic higher triplet state (T-8) and comparatively weak spin-orbit coupling (T-1-S-0), thereby enabling the bent nanographene to exhibit a long-lived component and strong afterglow. Our findings highlight the significance of regioisomeric nanographenes with exceptional optical properties and offer a deeper understanding of the structure-property relationship in nonplanar nanographenes.

10aAfterglow10aCPL10aHelicenes10ananographene10aPhosphorescence10aTADF1 aKumar, Viksit1 aVenugopal, Geethu1 aJadhav, Ashok, Badrinaray1 aDongre, Sangram, D.1 aGonnade, Rajesh1 aKumar, Jatish1 aRuer, Paul, C.1 aHupp, Benjamin1 aSteffen, Andreas1 aBabu, Sukumaran, Santhosh uhttps://library.ncl.res.in/content/regioisomeric-%CF%80-extended-nanographene-long-lived-phosphorescence-afterglow01926nas a2200205 4500008004100000022001400041245006600055210006600121260000800187490000800195520125700203653002701460653002801487653001701515100002601532700001801558700002401576700002401600856009601624 2025 eng d a1022-135200aRenewable and degradable polyoxalates derived from castor oil0 aRenewable and degradable polyoxalates derived from castor oil cSEP0 v2263 a

Renewable feedstocks pave the way to reduce the demand for petroleum-derived chemicals. Castor oil is one such plant-based raw material that can be used to synthesize chemicals and materials with diverse applications. Herein, we report the synthesis of a novel monomer, 18-methoxy-18-oxooctadec-9-en-7-yl methyl oxalate (3), from castor oil-derived ricinoleic acid. The identity of the monomer 3 has been unambiguously ascertained using 1-2D NMR spectroscopic analysis. Monomer 3 was then subjected to condensation polymerization with potentially bio-renewable long-chain aliphatic diols to yield degradable linear polyoxalates having molecular weights in the range of 8000-22,000 g/mol. The polymerization reactions were performed using pTSA and [Sn(Oct)2] as catalysts, and the polymerization conditions were optimized. The structure of the polymer was confirmed by 1-2D NMR spectroscopy, IR spectroscopy, and GPC analysis. The thermal characterizations of the polyoxalates were carried out by DSC and TGA analysis. The polyoxalates were found to degrade in acidic media. These renewable polyoxalates were further reacted with thiols by ``thiol-ene'' click reaction to produce a cross-linked rubbery polymer, which retained degradability.

10acastor oil derivatives10ahydrolytic degradations10apolyoxalates1 aMenon, Abhijith, Hari1 aJoseph, Seena1 aShaikh, Maulali, H.1 aChikkali, Samir, H. uhttps://library.ncl.res.in/content/renewable-and-degradable-polyoxalates-derived-castor-oil01877nas a2200217 4500008004100000245008400041210006900125260000800194300001100202490000600213520119200219653002101411653002101432653000801453653001401461653000801475100002901483700001901512700001801531856011001549 2025 eng d00aRetrieval augmented generation for building datasets from scientific literature0 aRetrieval augmented generation for building datasets from scient cJUL a0350060 v83 a

In this work, we show that employing retrieval augmented generation (RAG) with a large language model (LLM) enables us to extract accurate data from scientific literature and construct datasets. The rapid growth in publications necessitates the automation of extraction of structured data as it is crucial for training machine learning(ML) models. The pipeline developed is simple and can be adjusted accordingly with natural language as input. Quantization enables us to run LLMs on consumer hardware and remove the reliance on closed-source models. Both Llama3-8B and Gemma2-9B with RAG give structured output consistently and with high accuracy as compared to direct prompting. Using the newly developed protocol, we created a data set of metal hydrides for solid-state hydrogen storage from paper abstracts. The accuracy of the generated dataset was >88% in the cases tested. Further, we demonstrate that the generated dataset is ready-to-use for ML models by testing it with HYST to predict the H(2)wt\textbackslash% at a given temperature. Thus, we demonstrate a pipeline to create datasets from scientific literature at minimal computational cost and high accuracy.

10adataset building10aHydrogen storage10aLLM10amaterials10aRAG1 aMaharana, Piyush, Ranjan1 aVerma, Ashwini1 aJoshi, Kavita uhttps://library.ncl.res.in/content/retrieval-augmented-generation-building-datasets-scientific-literature01906nas a2200277 4500008004100000022001400041245017200055210006900227260000800296490000700304520082900311653003601140653004501176653002501221653002001246653005401266100003001320700001701350700002801367700002301395700002901418700002601447700001801473700002101491856011601512 2025 eng d a1434-193X00aSequential nitro-michael addition and reductive cyclization cascade reaction for diastereoselective synthesis of multifunctionalized 3,3′-pyrrolidinyl-spirooxindoles0 aSequential nitromichael addition and reductive cyclization casca cFEB0 v283 a

In this investigation, we elucidated, one-pot two stage efficient synthesis of multifuctionalized spiro[oxindole -3,3 `-pyrrolidine]. The methodology proceeds via organocatalyzed nitro-Michael addition reaction between indolylidenecyanoesters and nitroalkanes to formed nitro-Michael adduct which transformed into multifunctionalized 3,3 `-pyrrolidinyl-spirooxindoles by metal catalyzed reductive cyclization cascade. DFT investigations were conducted to elucidate the mechanism underlying the preferential reduction of the nitro group, with subsequent attack on the nitrile and ester groups remain inert throughout the reaction process. The approach is operationally simple, easily scalable, exhibits compatibility with readily accessible starting material and catalysts, thereby emphasizing cost-effectiveness.

10a3 `-pyrrolidinyl spirooxindoles10aDFT study for regioselective cyclization10aDiastereoselective 310aorganocatalysis10aPd/C catalysed partial reductive spirocyclization1 aNichinde, Chandrakant, B.1 aBhati, Meema1 aGirase, Amardipsing, S.1 aPatil, Baliram, R.1 aChaudhari, Suryakant, S.1 aGamidi, Rama, Krishna1 aJoshi, Kavita1 aKinage, Anil, K. uhttps://library.ncl.res.in/content/sequential-nitro-michael-addition-and-reductive-cyclization-cascade-reaction02244nas a2200253 4500008004100000245011300041210006900154260000800223300001400231490000700245520136600252100002501618700002801643700002401671700001801695700001901713700002901732700002001761700001601781700001701797700002401814700002101838856013101859 2025 eng d00aSilicon incorporated tacrine: design, synthesis, and evaluation of biological and pharmacokinetic parameters0 aSilicon incorporated tacrine design synthesis and evaluation of  cJUN a2603-26140 v163 a

Tacrine, an orally bioavailable cholinesterase inhibitor, was previously used to treat Alzheimer's disease but was withdrawn due to hepatotoxicity. The unique structural features of tacrine have once again captured the interest of medicinal chemists. However, the blood-brain barrier (BBB) permeability hampered the development of the majority of its new analogs. Herein, we employed a silicon switch approach for improving the BBB permeability of CNS drugs with tacrine as a tool compound. The replacement of C2 methylene of tacrine with dimethyl silicon yielded `sila-tacrine' that inhibits acetylcholinesterase as well as butyrylcholinesterase with IC50 values of 3.18 and 6.09 mu M, respectively. Sila-tacrine competitively inhibits acetylcholinesterase while it is a non-competitive inhibitor of butyrylcholinesterase. The molecular docking results corroborated with the in vitro cholinesterase inhibition activity of tacrine vs. sila-tacrine. Sila-tacrine demonstrated metabolic stability in HLM and MLM and exhibited superior plasma exposure in an oral pharmacokinetic study in Swiss albino mice. However, tissue distribution studies revealed lower-than-expected brain levels due to efflux pump-mediated transport. This study offers a proof-of-concept for the silicon switch approach in improving the BBB permeability of CNS-active compounds.

1 aKulkarni, Akshay, S.1 aRamana, Sreenivasa, Rao1 aNuthakki, Vijay, K.1 aBhatt, Shipra1 aJamwal, Ashiya1 aNandawadekar, Laxman, D.1 aJotshi, Anshika1 aKumar, Ajay1 aNandi, Utpal1 aBharate, Sandip, B.1 aReddy, Srinivasa uhttps://library.ncl.res.in/content/silicon-incorporated-tacrine-design-synthesis-and-evaluation-biological-and-pharmacokinetic02515nas a2200277 4500008004100000022001400041245011700055210006900172260000800241300001100249490000800260520162800268653001301896653002201909653001201931653001201943653002201955100001501977700001901992700002002011700001902031700002002050700001902070700002502089856012302114 2025 eng d a1046-592800aSimple freeze-thaw based method for efficient purification of recombinant human proinsulin from inclusion bodies0 aSimple freezethaw based method for efficient purification of rec cMAR a1066450 v2273 a

Insulin is a pivotal peptide hormone essential for regulating glucose homeostasis. It has been known for over 100 years, but its production and purification methods are still under improvement. Escherichia coli based bacterial expression system is primarily used for insulin production. The human insulin protein expressed in bacteria usually forms inclusion bodies, complicating the purification process. Traditionally, insulin purification is a timeconsuming process involving urea-based denaturation methods, and various refolding techniques, followed by extensive chromatographic methods. Here, we report an easy and efficient purification of human proinsulin involving freeze-thaw based solubilization method. The extracted proinsulin inclusion bodies are treated with different concentrations of urea, followed by a freeze-thaw based solubilization. The freezing was carried out at various temperatures, mainly -80 degrees C, -20 degrees C, and -196 degrees C to determine the optimum condition for solubilization. Highest solubilization of proinsulin from the inclusion body was achieved with 0.5M urea and -20 degrees C. Further Nickel NTA-based purification was performed, and the purified protein was characterized for disulfide mapping by high-resolution mass spectrometer (HRMS). We also performed glucose uptake assays to validate the functional properties of purified proinsulin. This freeze-thaw based mild solubilization approach is a fast and effective method for getting bioactive proinsulin, which will help further design better purification and processing strategies for insulin production.

10aDiabetes10aDisulfide mapping10aglucose10ainsulin10aMass spectrometry1 aRajesh, S.1 aJathar, Swaraj1 aBanarjee, Reema1 aSharma, Monika1 aPalkar, Shivani1 aShankar, Shiva1 aKulkarni, Mahesh, J. uhttps://library.ncl.res.in/content/simple-freeze-thaw-based-method-efficient-purification-recombinant-human-proinsulin02793nas a2200301 4500008004100000022001400041245009500055210006900150260000900219300001100228490000800239520180900247653001302056653002202069653003102091653002402122653001402146653001802160100002702178700002902205700002502234700002302259700001802282700002902300700001602329700002302345856012302368 2025 eng d a0378-517300aStimulant immobilized bioactive film of functionalized egg albumin blend for wound healing0 aStimulant immobilized bioactive film of functionalized egg album cSEP  a1258960 v6823 a

Wound healing materials with advanced properties that facilitates higher collagen deposition, improved angiogenesis and quick tissue regeneration are crucial for clinical wound management. To meet the requirement, for the first time, our studies focus on engineering bio-originated natural materials, which are tested in combination with the active agents, ascorbic acid (AA), a stimulant and metronidazole (Mtz), an anti-microbial drug. Accordingly, a dual drug (AA, and Mtz) loaded film of functionalized egg albumin (FEA)-poly(vinyl alcohol) (PVA) was fabricated following the solution casting method. The film was characterized for its morphology and physicochemical properties using various analytical tools. The potential of the film as a wound healing material was evaluated, by in vitro drug release, degradation, cell viability, antimicrobial studies, in vivo wound healing, and histopathological analyses. In vitro degradation studies confirmed their degradability in enzymatic and soil burial conditions. Cytotoxicity studies demonstrated their non-toxicity, and the antimicrobial investigations showcased that the material was antibacterial. On the 14th day, the wound closure percentage of the wound induced control group, GI (without treatment) was notably higher at 95 % compared to the test formulation group, GV [FEA-PVA (30/70 w/w) loaded with Mtz and AA (10 % w/w of the total polymer weight), respectively], which exhibited a wound closure of 83 %. Furthermore, the histopathological examinations revealed that the inner wound healing in GV was comparatively better than in GI in terms of angiogenesis, epidermal remodeling, higher collagen deposition, coherency, and tissue regeneration. Consequently, the formulated film can be deemed a suitable wound dressing material.

10acollagen10aDual drug release10aFunctionalized egg albumin10aPolymer blend films10aStimulant10awound Healing1 aGautam, Tripurari, Rao1 aPatel, Pratikshkumar, R.1 aSingam, Amarnath, R.1 aJagtap, Ashish, S.1 aDesai, Prasad1 aGundloori, Rathna, V. N.1 aPawar, Anil1 aDastager, Syed, G. uhttps://library.ncl.res.in/content/stimulant-immobilized-bioactive-film-functionalized-egg-albumin-blend-wound-healing00811nas a2200217 4500008004100000022001400041245012800055210006900183260000900252490000800261653001400269653002300283653002400306100001900330700002100349700001900370700001800389700002400407700003100431856013100462 2025 eng d a0144-861700aStructure and properties of the cellulose fibres spun from imidazolium-based carboxylate functionalized zwitterionic liquid0 aStructure and properties of the cellulose fibres spun from imida cJAN 0 v34810acellulose10aDirect dissolution10aZwitterionic liquid1 aJadhav, Sachin1 aSingh, Dhirendra1 aGupta, Deepika1 aGanvir, Vivek1 aSingh, Madan, Kumar1 aShanmuganathan, Kadhiravan uhttps://library.ncl.res.in/content/structure-and-properties-cellulose-fibres-spun-imidazolium-based-carboxylate-functionalized02157nas a2200265 4500008004100000022001400041245010100055210006900156260000900225300001100234490000700245520126900252653002601521653001601547653001901563653001801582653001801600100002301618700002201641700002101663700001901684700002601703700003701729856012501766 2025 eng d a2365-654900aSupramolecular self-assembly of glochidonol: a renewable triterpenoid from glochidion tomentosum0 aSupramolecular selfassembly of glochidonol a renewable triterpen cAUG  ae012070 v103 a

Glochidonol a lupane pentacyclic (6-6-6-6-5) triterpenoid isolated from Glochidion tomentosum, exhibited exceptional gelation ability compared to the screened lupane- and oleanane-type triterpenoids. This study represents the first report on the self-assembly behavior of glochidonol in various liquids. The molecule self-assembled to form gels in all tested aromatic solvents, whereas no gelation was observed in water or phosphate buffer. The structural and physical properties of the self-assembled glochidonol were characterized using optical microscopy, scanning electron microscopy, atomic force microscopy, and Fourier-transform infrared spectroscopy. Additionally, the glochidonol-based self-assembled fibrillar network was utilized for the encapsulation of fluorescein isothiocyanate as a model drug, highlighting its potential for biomedical applications. A glochidonol-based gel loaded with doxorubicin exhibited sustained, diffusion-mediated drug release into PBS, accompanied by partial gel degradation. Fluorescence analysis confirmed release suggesting drug-gel interactions and diffusion. The glochidonol-based gel demonstrated sustained, diffusion-controlled doxorubicin release with partial degradation under physiological conditions.

10aGlochidion tomentosum10aGlochidonol10aOrgano gelator10aSelf-assembly10aTriterpenoids1 aPatil, Harshal, S.1 aJagadeesh, K., S.1 aDinore, Jaysingh1 aSharanappa, P.1 aBaviskar, Ashwini, S.1 aThulasiram, Hirekodathakallu, V. uhttps://library.ncl.res.in/content/supramolecular-self-assembly-glochidonol-renewable-triterpenoid-glochidion-tomentosum02032nas a2200217 4500008004100000022001400041245011800055210006900173260000800242300001100250490000800261520127100269653003501540653002501575653001201600100002601612700001601638700001901654700002001673856012101693 2025 eng d a1387-181100aSynthesis and structural studies of ammonium exchanged synthetic analogue of disordered aluminosilicate natrolite0 aSynthesis and structural studies of ammonium exchanged synthetic cFEB a1134410 v3843 a

The current article reports preparation and structural analysis of NH4+ exchanged form of synthetic natrolite zeolite (NH4-natrolite) with disordered structure wherein Si and Al occupies all the tetrahedral (T) sites in the zeolite framework. Structural data is used to gain insight into the structural parameters those influence thermal stability of its proposed H-form. NH4-natrolite is prepared by ion-exchange method from K-natrolite (which was also obtained by ion-exchange with Na-natrolite). Na-natrolite, K-natrolite and NH4-natrolite prepared in this study were tested for their structural, morphological and thermal analysis. Synchrotron X-ray diffraction data was utilized to estimate the crystal structures of hydrated forms of Na-natrolite, K-natrolite and NH4-exchanged natrolites. Thermal analysis of NH4-natrolite revealed that the dehydration is followed by removal of ammonia during calcination. The role of the size (radius) and nature (either divalent or monovalent) of the exchangeable cations present in the channels, the framework chemical content and extent of `T' atom ordering have been collectively discussed and correlated with the structural behaviour of calcined NH4-natrolite to explain its thermal stability in better way.

10aCrystal structure of natrolite10aDisordered framework10azeolite1 aGavhane, Manjusha, J.1 aJha, R., K.1 aNam, Kyung-Wan1 aBhange, Deu, S. uhttps://library.ncl.res.in/content/synthesis-and-structural-studies-ammonium-exchanged-synthetic-analogue-disordered02579nas a2200289 4500008004100000022001400041245013400055210006900189260000900258300001000267490000700277520160400284653002201888653003001910653001601940653001401956653001301970100002501983700002202008700002302030700002002053700002802073700002502101700001502126700002202141856012602163 2025 eng d a2045-232200aSynthesis, characterization, computational and biological evaluation of pyrazole hydrazones as promising anti-inflammatory agents0 aSynthesis characterization computational and biological evaluati cNOV  a422060 v153 a

In this study, two pyrazole-based hydrazone derivatives, 5-methyl-1-phenyl-4-(1-(2-phenylhydrazineylidene)ethyl)-1H-pyrazole (PMPH) and 1-(4-fluorophenyl)-5-methyl-4-(1-(2-phenylhydrazineylidene)ethyl)-1H-pyr azole (4F-PMPH), were synthesized and the structures of the compounds were elucidated through FT-IR, 1H and 13C NMR, and mass spectral methods. The anti-inflammatory potential was evaluated using the bovine serum albumin denaturation assay, with PMPH and 4F-PMPH showing maximum inhibition at 0.5 mg/mL, respectively, suggesting that fluorine substitution enhances bioactivity. Molecular docking studies against COX-II (PDB: 3LN1) revealed favorable binding energies of - 7.21 kcal/mol (PMPH) and - 8.03 kcal/mol (4F-PMPH). Molecular dynamics simulation of the best docked compound 4F-PMPH with COX-II (PDB: 3LN1) revealed a stable complex over a 100 ns simulation, supporting its potential as a promising inhibitor. In silico ADME analyses revealed pharmacokinetic behavior and drug-likeness. A comparative Density functional theory-based spectroscopic and electronic investigation was conducted using the B3LYP/6-31G(d,p) level of theory. Vibrational frequency analysis showed strong correlation between theoretical and experimental IR spectra. Frontier molecular orbital analysis, molecular electrostatic surface potential maps, Mulliken charges, electronic and global reactivity parameters were also studied. Besides, reduced density gradient, non-covalent interaction, electron localization function, and localized orbital locator maps were analyzed for both the compounds.

10aAnti-inflammatory10aDensity functional theory10aDrug design10aHydrazone10aPyrazole1 aDeshmukh, Hemant, S.1 aAdole, Vishnu, A.1 aFrit, Alfind, Paul1 aMali, Suraj, N.1 aYasin, Haya, Khader Ahm1 aPatil, Bhausaheb, N.1 aJanani, S.1 aJagdale, Bapu, S. uhttps://library.ncl.res.in/content/synthesis-characterization-computational-and-biological-evaluation-pyrazole-hydrazones01315nas a2200193 4500008004100000022001400041245016200055210006900217260000800286300001600294490000700310520057200317100001800889700002400907700002300931700002400954700001500978856012800993 2025 eng d a0022-326300aSynthesis of benzannulated [5,6] oxa-fused/spiro-lactones via [4+2] cycloaddition with quinone methides: new insights into deconjugated butenolide reactivity0 aSynthesis of benzannulated 56 oxafusedspirolactones via 42 cyclo cOCT a15185-151900 v903 a

In this study, we unfold a Lewis-acid-catalyzed inverse electron demand hetero Diels-Alder (IEDHDA) [4 + 2] reaction, leveraging the unique beta-selective nucleophilicity of deconjugate lactone in conjunction with quinone methides for the synthesis of polycyclic fused and spiro acetals in a one-pot process. This cascade annulation reaction efficiently generates 3/4 chiral centers with high diastereoselectivity. The developed methodology proceeds under mild reaction conditions and exhibits a broad substrate scope for fused and spiro acetal formation.

1 aKumar, Manish1 aKale, Someshwar, B.1 aJawahar, Subramani1 aBarkade, Apurva, D.1 aDas, Utpal uhttps://library.ncl.res.in/content/synthesis-benzannulated-56-oxa-fusedspiro-lactones-42-cycloaddition-quinone-methides-new00901nas a2200277 4500008004100000022001400041245012100055210006900176260000800245300001200253490000700265653001600272653001300288653001900301653000800320100001800328700002100346700001700367700001700384700002300401700000500424700001800429700003000447700001700477856012900494 2025 eng d a0361-523500aTailoring the electrochemical properties of ZnS electrodes via cobalt doping for improved supercapacitor application0 aTailoring the electrochemical properties of ZnS electrodes via c cJAN a451-4610 v5410acapacitance10aCo-doped10asupercapacitor10aZnS1 aTom, Emmanuel1 aVelluva, Abhijai1 aJoseph, Anit1 aThomas, Tiju1 aSha, Mizaj, Shabil1 a1 aThomas, Deepu1 aSadasivuni, Kishor, Kumar1 aKurian, Joji uhttps://library.ncl.res.in/content/tailoring-electrochemical-properties-zns-electrodes-cobalt-doping-improved-supercapacitor00798nas a2200217 4500008004100000022001400041245010700055210006900162260000800231490000800239653002600247653002700273653002500300100002100325700001700346700002700363700002100390700001600411700002700427856012600454 2025 eng d a1549-329600aThrombin immobilized hemocompatible radiopaque polyurethane microspheres for topical blood coagulation0 aThrombin immobilized hemocompatible radiopaque polyurethane micr cJAN0 v11310aALGINATE MICROSPHERES10aENDOVASCULAR TREATMENT10aPRECISE LOCALIZATION1 aNaik, Sonali, S.1 aTorris, Arun1 aGhuge, Gorakh, Hiraman1 aKarthika, V., K.1 aJoseph, Roy1 aNair, Kiran, Sukumaran uhttps://library.ncl.res.in/content/thrombin-immobilized-hemocompatible-radiopaque-polyurethane-microspheres-topical-blood02469nas a2200361 4500008004100000022001400041245013600055210006900191260000900260490000700269520131800276653001801594653003001612653001701642653001801659100002701677700001701704700002201721700001701743700001501760700001601775700001701791700001901808700002001827700001701847700002001864700001701884700002001901700002001921700001901941700001801960856012901978 2025 eng d a1433-785100aTotal biocatalytic synthesis of capsaicinoids using ferulic acid: a versatile two-step strategy for natural product diversification0 aTotal biocatalytic synthesis of capsaicinoids using ferulic acid cDEC 0 v643 a

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

10aCapsaicinoids10aCarboxylic acid reductase10aTransaminase10aVanillylamine1 aKhobragade, Taresh, P.1 aGiri, Pritam1 aPatil, Mahesh, D.1 aJoo, Sangwoo1 aCho, Sunga1 aKim, Yechan1 aGhosh, Rohan1 aJeong, Sanghun1 aMaeng, Minyeong1 aSong, Min-Ho1 aPark, Jeong-Min1 aLee, Eun, Ho1 aKeum, Young-Soo1 aKang, Taek, Jin1 aHeo, Yong-Seok1 aYun, Hyungdon uhttps://library.ncl.res.in/content/total-biocatalytic-synthesis-capsaicinoids-using-ferulic-acid-versatile-two-step-strategy02487nas a2200169 4500008004100000022001400041245015300055210006900208260000800277300001100285490000800296520181800304100002302122700002202145700001802167856013202185 2025 eng d a0031-931700aTransit of NEAT1 and MTP11 to the plasma membrane and co-localization to vesicles support a role for exocytosis-mediated export in metal homeostasis0 aTransit of NEAT1 and MTP11 to the plasma membrane and colocaliza cJAN ae700670 v1773 a

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

1 aVetal, Pallavi, V.1 aJaskolowski, Aime1 aPoirier, Yves uhttps://library.ncl.res.in/content/transit-neat1-and-mtp11-plasma-membrane-and-co-localization-vesicles-support-role-exocytosis06096nas a2200217 4500008004100000245005000041210005000091260000800141490000700149520545000156100001805606700001905624700001805643700002005661700002105681700001805702700002305720700003105743700001905774856008505793 2025 eng d00aUltrabroad near infrared emitting perovskites0 aUltrabroad near infrared emitting perovskites cJAN0 v643 a

Phosphor converted light emitting diodes (pc-LEDs) have revolutionized solid-state white lighting by replacing energy-inefficient filament-based incandescent lamps. However, such a pc-LED emitting ultrabroad near-infrared (NIR) radiations still remains a challenge, primarily because of the lack of ultrabroad NIR emitting phosphors. To address this issue, we have prepared 2.5 % W4+-doped and 2.8 % Mo4+-doped Cs2Na0.95Ag0.05BiCl6 perovskites emitting ultrabroad NIR radiation with unprecedented spectral widths of 434 and 468 nm, respectively. Upon band-edge excitation, the soft lattice of the host exhibits broad self-trapped exciton (STE) emission covering NIR-I (700 nm), which then nonradiatively excites the dopants. The mathematical equation –donor ligand Cl reduces the energy of dopant d–d transitions emitting NIR-II with a peak at ~950 nm. Vibronic coupling broadens the dopant emission. The large spin-orbit coupling and local structural distortion might possibly enhance the dopant emission intensity, leading to an overall NIR photoluminescence quantum yield ~40 %. The composite of our ultrabroad NIR phosphors with biodegradable polymer polylactic acid could be processed into free-standing films and 3D printed structures. Large (170mathematical equation 170 mathematical equation ), robust, and thermally stable 3D printed pc-LED panels emit ultrabroad NIR radiation, demonstrating NIR imaging applications.

1 aSaikia, Sajid1 aGopal, Animesh1 aRathod, Radha1 aJoshi, Aprajita1 aPriolkar, K., R.1 aSaha, Surajit1 aSantra, Pralay, K.1 aShanmuganathan, Kadhiravan1 aNag, Angshuman uhttps://library.ncl.res.in/content/ultrabroad-near-infrared-emitting-perovskites03051nas a2200217 4500008004100000245013700041210006900178260000800247300000900255490000700264520225300271100001902524700002302543700002202566700002302588700001902611700001802630700003002648700002702678856012802705 2025 eng d00aUnderstanding the antimicrobial and antioxidant potential of bioinspired platinum nanoparticles synthesized using ocimum tenuiflorum0 aUnderstanding the antimicrobial and antioxidant potential of bio cJAN a17890 v153 a

The emergence of infectious diseases has highlighted the need for novel and effective antimicrobial agents. Platinum nanoparticles (PtNPs) could act as a potent antimicrobial agent due to their unique physicochemical properties. However, the chemical or physical synthesis methods of PtNPs have drawbacks, like irregular shape and use of toxic chemicals. These drawbacks can be effectively overcome by using the biological method synthesis. Thus, this study presents the green synthesis of platinum nanoparticles (PtNPs) using Ocimum tenuiflorum leaf extract as a bio-reductant. The study also comprehensively encompasses the role of multiple process parameters for the green synthesis of PtNPs. The high-resolution transmission electron microscopy (HR-TEM) revealed spherical PtNPs with an average size of 2.36 ± 0.5 nm that exhibits excellent stability (zeta potential, −45.67 ± 2.57 mV). Phytochemical analysis of aqueous O. tenuiflorum leaf extract was performed to assess the bioactive compounds like saponins, phenols, and tannins, reducing sugars and flavonoids. The PtNPs demonstrated significant antioxidant activity of 86.9 ± 0.12% at 10 µg/mL. Further, the biosynthesized PtNPs showed efficient antimicrobial activity with a minimum inhibitory concentration (MIC) of 6.25 µg/mL against Escherichia coli and 1.5 µg/mL against Staphylococcus aureus. These findings highlight the therapeutic potential of eco-friendly PtNPs for pharmaceutical and biotechnological applications.

1 aVarma, Sanjana1 aBamb, Aagam, Lalit1 aTambe, Sayali, A.1 aBurade, Dimpal, K.1 aJagdale, Swati1 aPande, Bharat1 aVamkudoth, Koteswara, Rao1 aChaudhari, Bhushan, P. uhttps://library.ncl.res.in/content/understanding-antimicrobial-and-antioxidant-potential-bioinspired-platinum-nanoparticles03221nas a2200313 4500008004100000022001400041245015500055210006900210260000900279300001600288490000700304520212700311653002402438653002502462653003102487653001502518653002602533100002802559700001802587700002702605700002602632700002002658700002702678700001702705700001802722700002202740700001802762856012702780 2025 eng d a1944-824400aUnderstanding the structural characteristics of modified ceramic hollow fiber oxygen transport membranes through in silico tomography simulation study0 aUnderstanding the structural characteristics of modified ceramic cJUL  a43820-438290 v173 a

Design and development of integrated membrane reactor systems are gaining attention as a sustainable solution capable of performing multiple functions in a single reactor. Membrane reactors made of mixed ionic-electronic conduction materials dosing pure O to the reactions can be exploited for various catalytic processes. In this case, micro- and macrostructures of the membrane surface play a significant role in the permeation performance of membranes, and understanding these parameters prior to scaling up to modules is imperative. Here, 3D X-ray tomography imaging, a versatile nondestructive instrumental technique, is used in understanding the structural behavior of the membrane walls at different structural alignments, leading to anticipation of fouling areas upon assembling membrane reactors. La0.6Sr0.4Co0.2Fe0.8O3-delta hollow fiber membranes are fabricated by the phase inversion method and further modified by the optimized acid etching technique. In silico simulations on different morphologies before and after surface modifications are carried out under varying flow rates at nonambient temperatures to mimic real experimental conditions. Critical parameters such as gas velocity, pressure exerted on cavity walls, and strain, dictating structural integrity of the fibers under experimental conditions, were evaluated. As a result of the assessment, the surface-modified structural morphology with finger-like cavities initiating from the inner wall of the membrane was found to be robust. Increase in the pore size, nonuniform pore size distribution, and irregular and interdigitated cavities formed in outer fingered membranes after multiple surface treatments led to an similar to 5 fold increase in the average pressure exerted at the cavity walls when compared to inner fingered membranes. Strain profile generated for inner fingered membranes shows homogeneous distribution of strain for the applied stress throughout the 3D geometry of the membrane. This detailed structural analysis of the membrane will help in building a more robust and efficient system for scale-up applications.

10a3D X-ray tomography10ain silico simulation10aoxygen transport membranes10aperovskite10aphase inversionmethod1 aJogdand, Shunottara, M.1 aSharma, Jyoti1 aKhilari, Rushikesh, S.1 aMahajan, Digvijay, P.1 aPatil, Prashant1 aPol, Harshavardhan, V.1 aTorris, Arun1 aAgrawal, Ravi1 aKharul, Ulhas, K.1 aDevi, Nandini uhttps://library.ncl.res.in/content/understanding-structural-characteristics-modified-ceramic-hollow-fiber-oxygen-transport02276nas a2200193 4500008004100000245010300041210006900144260000800213300001600221490000700237520157300244100002101817700001801838700001901856700002501875700002001900700002501920856013701945 2025 eng d00aUnderutilization of India’s trained science and technology workforce: Impact on gender disparity0 aUnderutilization of India s trained science and technology workf cNOV a1526–15370 v913 a

The growing STEM workforce of India faces remarkable underutilization, mostly among women and early-career researchers. A survey was conducted among 106 research professionals showed that 46% of the respondents experienced career breaks while only 20–22% perceived sufficient employment opportunities across educational levels. Gender disparity has become a remarkable, associated factor, influenced by and perpetuating the underutilization of the workforce, shaped by career interruptions associated to marriage, childbirth, and societal norms, which disproportionately affect 65% of women respondents. While over 50% respondents showed their interest in developing entrepreneurship, awareness of government schemes such as Startup India and Skill India remains inadequate. The findings from the study supports the short-term actions like childcare support and flexible re-entry policies, medium-term incorporation of entrepreneurship programs with scientific careers, and long-term development of R&D through increased investment and mentorship programs. Addressing systemic and gender-based obstacles is vital for optimizing scientific workforce and promoting development driven by innovation in India. Additionally, the promotion of scientific entrepreneurship and start-up schemes is essential for boosting research sector growth. Addressing the systemic barriers and supporting gender equity in science and academia can help India fully leverage its qualified STEM talent.

1 aJugran, Arun, K.1 aSardana, Neha1 aFatima, Nishad1 aMaheshwary, Sugandha1 aSengupta, Durba1 aChakravorty, Nishant uhttps://library.ncl.res.in/content/underutilization-india%E2%80%99s-trained-science-and-technology-workforce-impact-gender-disparity02243nas a2200313 4500008004100000022001400041245015900055210006900214260000800283300001100291490000800302520113800310653002401448653001901472653002301491653002001514653002001534653003501554653002301589100002801612700002601640700002201666700002901688700001801717700002301735700002201758700001801780856013101798 2025 eng d a1385-894700aUnravelling the Cu-Co nanoparticle synergy over Ceria-Zirconia support toward efficient reverse water gas shift (RWGS) conversion under H2 lean conditions0 aUnravelling the CuCo nanoparticle synergy over CeriaZirconia sup cMAR a1607050 v5083 a

CO2 emissions leading to global warming and environmental and socio-economic issues have propelled the research community to develop technologies capable of capturing and converting CO2 into valuable products. Controlling the selectivity toward platform molecules like CO, methanol, or methane is a fundamental challenge in CO2 hydrogenation. Supported cobalt nanoparticles are known for hydrocarbon production through FischerTropsch (FT) reaction, and Cu-based catalysts are known for reverse water gas shift (RWGS) reaction. Here, we show that d-band centre can be carefully modulated by making bimetallic combinations of Cu and Co for a highly active RWGS catalyst. An oxygen vacancy-rich nanostructured ceria-zirconia (CZ) support with Cu nanoparticles (2 wt%) modified with as low as 0.05 wt% Co shows excellent conversion for CO2 hydrogenation and selectivity for CO below 500 degrees C. The optimized catalyst shows CO2 conversion even under hydrogen lean conditions (H2/ CO2 ratio 0.5:1), with a breakthrough rate of 206023 mmol/gmetal/h for CO at 600 degrees C, having H2 utilization of 80% for the RWGS process.

10aBimetallic catalyst10aCeria-zirconia10aCO 2 hydrogenation10aCobalt catalyst10aCopper catalyst10aReverse water gas shift (RWGS)10asynergistic effect1 aJagtap, Anuradha, Vijay1 aBamnia, Mahesh, Kumar1 aMaibam, Ashakiran1 aBajpai, Jyotsna, Paliwal1 aGupta, Sharad1 aThomas, Sharon, K.1 aDabke, Niteen, B.1 aVinod, C., P. uhttps://library.ncl.res.in/content/unravelling-cu-co-nanoparticle-synergy-over-ceria-zirconia-support-toward-efficient-reverse02423nas a2200217 4500008004100000022001400041245011600055210006900171260000800240300001400248490000600262520161300268100002801881700002601909700002801935700002101963700002701984700003402011700003002045856013002075 2025 eng d a2398-490200aUtilizing nature's endowment: artificial leaf concept for methane activation to C-C coupled ethanol or ethylene0 aUtilizing natures endowment artificial leaf concept for methane  cDEC a6798-68100 v93 a

Methane activation (MA) to platform chemicals under ambient conditions still remains an open challenge to be fully realised. The present work shows the fabrication of CeVO4 quantum dots (CV-QDs) by a bottom-up approach; they are assembled from Ce3+ and metavanadate ions, and structurally and electronically integrated into the micro-/meso-pores of TiO2 (CV-QD-TiO2 (CVT)), demonstrating the conversion of MA to ethanol/ethylene by visible light-driven photocatalysis. CV-QDs in confined pores modify the quantum confinement effects and are characterized by physicochemical methods. The current synthetic strategy is potentially scalable and results in sub-quadrillion heterojunctions in a 1 mg CVT photoanode spread over 1 cm2. MA with CVT under one-sun conditions demonstrates similar to 100% selectivity to ethanol, yielding 4.36 mu mol h-1 cm-2, with a solar-to-fuel efficiency (STFE) of 0.56. Further, by employing a co-catalyst, significant STFE (5.08) and yield (39.5 mu mol h-1 cm-2) are achieved selectively towards ethylene. A deliberate addition of methanol increases the rate of ethanol production by 17.2 times, indicating that the methyl-methoxy interaction is the origin of C-C coupling. Weight is normalized to a gram of CV-QDs in a large area CVT photoanode to yield 109 mmol h-1 gCV-QD-1 of ethanol and 988 mmol h-1 gCV-QD-1 of ethylene. Enhanced activity and selectivity towards the C2-product is attributed to band-edge modulation and trillions of heterojunctions, which in turn facilitate charge separation and charge transfer for effective charge utilisation at redox sites.

1 aKanungo, Subhashree, S.1 aMishra, Abhaya, Kumar1 aAvani, Mangaladasan, J.1 aBajpai, Himanshu1 aSalgaonkar, Kranti, N.1 aJavaregowda, Bharathkumar, H.1 aGopinath, Chinnakonda, S. uhttps://library.ncl.res.in/content/utilizing-natures-endowment-artificial-leaf-concept-methane-activation-c-c-coupled-ethanol01918nas a2200205 4500008004100000022001400041245011000055210006900165260000800234300001200242490000700254520118700261100002701448700002201475700002101497700002801518700002301546700002401569856011901593 2025 eng d a1525-779700aVat-based 3D-bioprinted scaffolds from photocurable bacterial levan for osteogenesis and immunomodulation0 aVatbased 3Dbioprinted scaffolds from photocurable bacterial leva cJAN a954-9660 v263 a

Emerging techniques of additive manufacturing, such as vat-based three-dimensional (3D) bioprinting, offer novel routes to prepare personalized scaffolds of complex geometries. However, there is a need to develop bioinks suitable for clinical translation. This study explored the potential of bacterial-sourced methacrylate levan (LeMA) as a bioink for the digital light processing (DLP) 3D bioprinting of bone tissue scaffolds. LeMA was successfully synthesized, characterized, and used to fabricate 3D-bioprinted scaffolds with excellent printability and physicochemical properties. In vitro studies demonstrated superior cytocompatibility of 15% w/v LeMA gels compared to 20% gels. 15% LeMA gels supported osteogenic differentiation , as evidenced by alkaline phosphatase activity and mineral deposition by MC3T3 pre-osteoblasts. Importantly, the LeMA hydrogels positively modulated the macrophage phenotype, promoting the expression of the anti-inflammatory marker CD206. These findings suggest that 3D-printed LeMA scaffolds can create a favorable microenvironment for bone regeneration, highlighting their potential for tissue repair and regeneration applications.

1 aWaidi, Yusuf, Olatunji1 aWagh, Vasudev, S.1 aMishra, Shivangi1 aJhunjhunwala, Siddharth1 aDastager, Syed, G.1 aChatterjee, Kaushik uhttps://library.ncl.res.in/content/vat-based-3d-bioprinted-scaffolds-photocurable-bacterial-levan-osteogenesis-and03762nas a2200265 4500008004100000022001400041245015300055210007000208260000800278300001600286490000600302520279600308653002003104653002003124653003103144653003003175653002803205100002403233700001603257700001703273700001703290700003003307700002703337856013203364 2025 eng d a2574-096200aVisible-light active π-extended unsymmetrical squaraine dyes for dye-sensitized solar cells: steric effects for controlling the aggregation of dyes0 aVisiblelight active πextended unsymmetrical squaraine dyes for d cOCT a15459-154700 v83 a

The dye-anchored TiO2 photoanode plays a vital role in the light harvesting and charge separation processes in dye-sensitized solar cells. Aggregation of dyes (H- and J-type) on the TiO2 surface is a facile process due to the presence of a periodical dye anchoring sites on the exposed facet of titania, and such self-assembled dye structures help broadening the absorption profile. However, photocurrent generation from such aggregated structure is a challenging task in dye-sensitized solar cell devices. Hence, controlling the dye aggregation on the TiO2 surface is an important aspect. Controlling the aggregation of dyes by which (i) an enhanced photocurrent generation (J SC) and (ii) enhanced V OC can be achieved by including the steric factors to the dye design principles, the steric factor in the sensitizer may help passivate the TiO2 surface to avoid the charge recombination process between electrons present in TiO2 and the oxidized electrolyte. On the other hand, extension of pi-conjugation in a sensitizer helps enhance the light absorption in the visible region besides modulating the HOMO and LUMO energy levels. Hence, synergizing both pi-extensions along with features that control the dye aggregation has been considered in designing visible active squaraine dyes. A thiophene pi-spacer was inserted in between a visible-light active unsymmetrical squaraine unit and a cyanoacetic acid acceptor unit to provide the AJ1 and AJ2 dyes. Though both the dye molecules possess a similar pi-framework, the AJ2 dye was functionalized with both in-plane and out-of-plane alkyl groups to decrease the aggregation of dyes on the TiO2 surface compared to AJ1. The AJ1 and AJ2 dyes absorbed at 560 nm with shoulder peaks appeared at 528 nm, which can be assigned to vibronic progression (1082 cm-1), and additional characteristic peaks of thiophene appeared at 392 nm with the molar extinction coefficient of 1.16-1.19 x 105 M-1 cm-1 in CH3CN. The LUMO and HOMO energy levels are well aligned with the conduction band of TiO2 and the redox potential of iodolyte (I-/I3 -) electrolyte with sufficient overpotentials for charge injection and dye regeneration processes, respectively. The highest DSSC device efficiency of 7.37% (J SC 14.44 mA/cm2, V OC 0.771 V, ff 67.1%) was achieved for the AJ2 dye with iodolyte (I-/I3 -) electrolyte in the presence of 2 equiv of optically transparent coadsorbent chenodeoxycholic acid (CDCA), which showed a good IPCE response in between 400 and 700 nm. Further, cosensitization of visible-light active AJ1, AJ2, and SQA10 dyes with a complementary far-red active SQS4 dyes showed the device efficiencies of 5.53% (AJ1:SQS4:CDCA), 7.14% (AJ2:SQS4:CDCA), and 7.18% (SQA10:SQS4:CDCA) with a good IPCE response in the 400-720 nm region.

10acosensitization10aDye aggregation10aDye-sensitized solar cells10api-extended squaraine dye10avisible-lightactivedyes1 aJadhav, Avinash, P.1 aSiby, Jesna1 aPandya, Rinu1 aVanka, Kumar1 aKrishnamoorthy, Kothandam1 aNithyanandhan, Jayaraj uhttps://library.ncl.res.in/content/visible-light-active-%CF%80-extended-unsymmetrical-squaraine-dyes-dye-sensitized-solar-cells01962nas a2200193 4500008004100000245014000041210006900181260000800250300001300258490000700271520124100278100002101519700002301540700001701563700001901580700001801599700001901617856013201636 2026 eng d00aIntegrative transcriptomics and metabolomics reveal distinct metabolic reprogramming in luminal and triple-negative breast cancer cells0 aIntegrative transcriptomics and metabolomics reveal distinct met cJAN aaaiaf0030 v223 a

Breast cancer subtypes exhibit significant molecular and metabolic heterogeneity, influencing their aggressiveness and therapeutic responses. Among them, triple-negative breast cancer (TNBC) is highly aggressive and often resistant to conventional therapies. To investigate the metabolic programming of this aggressiveness, we conducted an integrated transcriptomics and metabolomics analysis comparing the MCF-7 (luminal A, ER+/PR+) and MDA-MB-231 (TNBC) breast cancer cell lines. Transcriptome analysis of MCF-7 and MDA-MB-231 revealed the differential expression of genes involved in key metabolic pathways. Metabolomics data, further corroborated by transcriptomics, suggest pathway enrichment in beta-alanine, histidine, glutathione, nucleotide metabolism, and the tricarboxylic acid cycle. MDA-MB-231 cells displayed a metabolically aggressive phenotype with enhanced oxidative phosphorylation, redox adaptation, and nucleotide turnover. In contrast, MCF-7 cells showed a more regulated amino acid and redox metabolism profile. The integration of transcriptomic and metabolite profiles highlighted potential metabolic vulnerabilities in TNBC, offering insights into subtype-specific differences at the molecular level.

1 aRanawade, Preeti1 aSonwane, Babasaheb1 aBose, Ganesh1 aJadhav, Revati1 aJoshi, Rakesh1 aMittal, Smriti uhttps://library.ncl.res.in/content/integrative-transcriptomics-and-metabolomics-reveal-distinct-metabolic-reprogramming-luminal02341nas a2200253 4500008004100000022001400041245012000055210006900175260000800244300001200252490000700264520149400271653000801765653002501773653001501798653001701813653001701830653001401847100003001861700002301891700002501914700002201939856012601961 2026 eng d a2160-183600aMechanistic insights in the role of trehalose transporter in metabolic homeostasis in response to dietary trehalose0 aMechanistic insights in the role of trehalose transporter in met cFEB ajkaf3030 v163 a

Trehalose is the major sugar in insect hemolymph and plays a diverse role. Its level is regulated by the dynamics of biosynthesis and distribution by sugar transporters. The metabolic balance between trehalose synthesis and uptake remains poorly understood, despite its critical role in homeostasis. Here, we examined the role of the putative gut-specific sugar transporter, HaST46, in regulating trehalose levels in Helicoverpa armigera, a model Lepidopteran pest. Analysis of publicly available transcriptomics, proteomics data, and qRT-PCR study suggests that HaST46 showed localization in the posterior midgut and its expression alters in response to dietary contents. The liquid chromatography-mass spectrometry (LC-MS) analysis of HaST46 overexpressing Sf9 cells indicated that trehalose transport is preferred over glucose. HaST46 expression was found to be modulated tissue-specific manner in response to dietary trehalose availability. Furthermore, trehalose synthesis genes were found to be downregulated in the case of a 50 mM trehalose diet. This suggests that a potential increase in exogenous trehalose uptake may attenuate its endogenous synthesis. HaST46 overexpression and silencing lead to altered trehalose levels in the insect, while also having impact on trehalose metabolizing enzymes. Overall, our findings reveal the role of gut predominant sugar transporter, HaST46, in metabolic fine-tuning between exogenous trehalose uptake and endogenous synthesis.

10agut10aHelicoverpa armigera10aMetabolism10asugar uptake10atransporters10atrehalose1 aChaudhari, Bhagyashri, Y.1 aNichit, Vikram, J.1 aBarvkar, Vitthal, T.1 aJoshi, Rakesh, S. uhttps://library.ncl.res.in/content/mechanistic-insights-role-trehalose-transporter-metabolic-homeostasis-response-dietary02277nas a2200349 4500008004100000022001400041245014800055210006900203260000800272300001100280490000700291520108500298653002201383653001801405653001701423653001601440653004001456653002201496100002401518700002401542700002201566700002601588700002201614700002001636700002701656700002901683700002301712700002201735700002001757700002401777856012601801 2026 eng d a2365-654900aMethoxy substituted furan chalcones: an insight into anti-inflammatory, antioxidant, antidiabetic, antibacterial, and molecular docking studies0 aMethoxy substituted furan chalcones an insight into antiinflamma cMAR ae057980 v113 a

A series of methoxy-substituted furan-based chalcones (5a-m) were synthesized, characterized, and evaluated for in vitro anti-inflammatory, antioxidant, antidiabetic, and antibacterial activities. Among the series, compounds 5l, 5j, 5h, 5a, 5g, 5f, 5c, 5k, and 5e showed remarkable anti-inflammatory activity when compared to diclofenac sodium. The compounds 5k, 5e, 5m, 5h, and 5l showed outstanding activity in the DPPH free radical scavenging experiment, along with remarkable ferric ion reducing power activity in comparison to standard ascorbic acid. Compounds 5l, 5m, and 5g demonstrated significant alpha amylase inhibitory activity, comparable to that of the standard drug Acarbose, suggesting their potential as effective antidiabetic agents along with a good antibacterial profile against S. aureus and E. coli. The molecular docking studies revealed that compounds 5f and 5c showed the best docking profiles with BSA, while 5l and 5m demonstrated superior binding characteristics with amylase, highlighting their potential as promising bioactive candidates.

10aAnti-inflammatory10aAntibacterial10aantidiabetic10aAntioxidant10amethoxy substituted furan chalcones10aMolecular docking1 aGhorpade, Sujay, A.1 aKulkarni, Arati, S.1 aDandge, Padma, B.1 aChaugule, Hanmant, N.1 aIngle, Snehal, S.1 aBavi, Rohit, S.1 aBhosale, Raghunath, B.1 aPeerzade, Nargisbano, A.1 aZaki, Magdi, E. A.1 aMasand, Vijay, H.1 aPatil, Nita, R.1 aJadhav, Shravan, Y. uhttps://library.ncl.res.in/content/methoxy-substituted-furan-chalcones-insight-anti-inflammatory-antioxidant-antidiabetic02916nas a2200313 4500008004100000022001400041245012200055210006900177260000800246300001100254490000900265520183400274653002602108653002602134653003202160653003002192653002002222653003502242100002202277700001902299700002502318700002002343700001802363700002502381700002002406700002202426700002402448856013002472 2026 eng d a0022-286000aNovel prodrug-inspired eugenol derivatives with enhanced bioavailability, anti-diabetic and anti-glycation efficacies0 aNovel prodruginspired eugenol derivatives with enhanced bioavail cAPR a1451750 v13573 a

In this study, we present the design, synthesis, and evaluation of novel eugenol analogs aimed to overcome its limited bioavailability due to insolubility in aqueous media. Thus, we re-engineered eugenol using prodruginspired structural modifications to improve pharmacokinetic properties. First, we structurally modified eugenol and synthesized its natural amino acid conjugates as esters and carbamates. These were prepared in NBoc protected, free amine, and HCl salt forms. These modifications are expected to improve the polarity and solubility of eugenol congeners in biological systems. They can also release the parent eugenol through enzymatic hydrolysis, enhancing its therapeutic potential. Next, we comprehensively screened for these derivatives through in silico studies followed by in vitro and in vivo assays. These include DPPH radical scavenging (IC50 range: 37.7 to 103.7 mu M), inhibition of (i) alpha-amylase (IC50 23.1 to 67.3 mu M), (ii) alpha-glucosidase (IC50 43.6 to 50.4 mu M), (iii) glycation (IC50 31.9 to 110.3 mu M) along with pharmacokinetic profiling and toxicity assessments. These experiments collectively demonstrated improved activity of eugenol analogs for several important parameters. Specifically, six analogs-epoxy eugenol (39), hydroxy eugenol (43), aspartate eugenol (26), isoleucinate eugenol (24), glutamate eugenol (37), and glutamate-salt eugenol (27) exhibited superior bioavailability, absorption, and distribution over to the parent compound eugenol. These analogs were found to be non-toxic and safe for oral administration. Overall, the study establishes a mechanistic and rational framework for modifying eugenol to overcome its inherent biopharmaceutical limitations, positioning them as promising candidates for treating diabetes and glycation-related conditions.

10aAmino acid conjugates10aAntidiabetic activity10aBioavailability enhancement10aDrug design and synthesis10aEugenol analogs10aIn silico and in vitro studies1 aKataria, Priyanka1 aVairale, Shiva1 aMote, Chandrashekhar1 aJoshi, Kaustubh1 aJoshi, Rakesh1 aKulkarni, Mahesh, J.1 aGiri, Ashok, P.1 aKontham, Ravindar1 aAgawane, Sachin, B. uhttps://library.ncl.res.in/content/novel-prodrug-inspired-eugenol-derivatives-enhanced-bioavailability-anti-diabetic-and-anti01869nas a2200217 4500008004100000022001400041245014600055210006900201260000800270300000700278490000800285520108800293653001201381653001401393653001801407653002301425100002401448700002501472700002501497856012901522 2026 eng d a1011-372X00aOne-pot tandem oxidative-wittig olefination of primary alcohols using spent battery material as a heterogeneous catalyst in green solvent GVL0 aOnepot tandem oxidativewittig olefination of primary alcohols us cJAN a440 v1563 a

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

10aOne-pot10aOxidation10aSpent battery10aWittig olefination1 aBankar, Shubham, R.1 aGhadge, Sambhaji, S.1 aJadhav, Vrushali, H. uhttps://library.ncl.res.in/content/one-pot-tandem-oxidative-wittig-olefination-primary-alcohols-using-spent-battery-material02195nas a2200265 4500008004100000022001400041245011700055210006900172260000800241490000700249520126700256653001201523653000801535653002401543653001801567653001401585100002901599700003401628700002901662700002001691700002601711700003001737700003001767856013201797 2026 eng d a1613-681000aOrthogonally Engineered Redox-Active Polyimide-Carbon Nanotube Hybrids for Long-Life Lithium-Ion Battery Cathode0 aOrthogonally Engineered RedoxActive PolyimideCarbon Nanotube Hyb cJAN0 v223 a

The diverse structural tunability and engineered electronic properties of organic polymers have sparked significant interest in their use as cathode materials for lithium-ion storage. Recent advances suggest that organic cathodes can serve as promising alternatives to conventional metal oxide counterparts due to their elemental abundance, safety, and high theoretical capacity. However, developing cathode materials that simultaneously exhibit high specific capacity, long cycle life, and excellent rate performance remains a critical challenge. In this study, the synthesis and application of a redox-active polyimide based on orthogonally positioned, active site-rich mellitic trianhydride (MTA) and naphthalene diimide (NDI), integrated with multi-walled carbon nanotubes (MWCNTs), referred to as MTA-NDI@CNT are reported. The pristine MTA-NDI polymer demonstrates a specific capacity of 60 mAh g-1 at a current density of 200 mA g-1 and exhibits remarkable cycling stability over 20 000 cycles. Upon hybridisation with CNT (10 wt.%), the composite (MTA-NDI@CNT) delivers a nearly threefold enhancement in specific capacity, reaching 170 mAh g-1 at 500 mA g-1, along with stable cycling performance over 1300 cycles and 60.5% capacity retention.

10acathode10aCNT10alithium-ion battery10aorthogonality10aPolyimide1 aThanasekar, Chandragopal1 aJavaregowda, Bharathkumar, H.1 aVeer, Sairam, Dnyaneshwa1 aDevasia, George1 aKrishnamurty, Sailaja1 aKrishnamoorthy, Kothandam1 aBabu, Sukumaran, Santhosh uhttps://library.ncl.res.in/content/orthogonally-engineered-redox-active-polyimide-carbon-nanotube-hybrids-long-life-lithium-ion02606nas a2200265 4500008004100000022001400041245009700055210006900152260000800221300001100229490000800240520174200248653001601990653001202006653001402018653002002032653005502052100001602107700001802123700001702141700002102158700002102179700001602200856012402216 2026 eng d a0981-942800aPhenylpropanoid-specific glycosyltransferases from mango and their potential role in defense0 aPhenylpropanoidspecific glycosyltransferases from mango and thei cMAR a1111370 v2323 a

Alphonso mango (Mangifera indica cv. Alphonso) is a cornerstone of India's fruit industry due to its distinct aroma and shelf-life characteristics. The uridine diphosphate-dependent glycosyltransferases (UGTs) play a crucial role in stabilising aroma and defense-related specialised metabolites in fruits. The present study explores the potential role of UGTs during mango ripening and Colletotrichum gloeosporioides infection. Gene expression analysis indicated that UGTs showed dynamic expression in skin and pulp during ripening. Phylogenetic analysis revealed substrate-driven divergence of UGTs, with MiUGT92A14 and MiUGT95B15 forming distinct clades associated with flavonoid glycosylation. Recombinant UGTs showed a higher preference for UDP-glucose, which is corroborated by the high accumulation of UDP-glucose during ripening. Furthermore, it was observed that MiUGT92A14 prefers phenolic acids as substrates, while MiGT95B15 shows flavonoid specificity. Spore germination assays demonstrated that both aglycones and their glycosylated derivatives suppressed early fungal morphogenesis, supporting a role for UGT-mediated glycosylation in maintaining defense-related metabolites in a bioactive yet non-toxic form during fruit ripening. Additionally, Colletotrichum gloeosporioides inhibition assays demonstrated that glycosylated products of selected UGTs exhibited equal or enhanced antifungal activity compared with their aglycone forms, indicating that glycosylation promotes the safe accumulation of antifungal compounds by reducing aglycone toxicity to the plant. These findings suggest that glycosylation of specific metabolites is a key for ripening process and to potentiate defence against fungal pathogen.

10aAnthracnose10adefense10aFlavonoid10aGlycoconjugates10aUridine diphosphate-dependent glycosyl-transferase1 aVare, Tejas1 aJoshi, Rakesh1 aLiao, Jieren1 aHoffmann, Thomas1 aSchwab, Wilfried1 aGiri, Ashok uhttps://library.ncl.res.in/content/phenylpropanoid-specific-glycosyltransferases-mango-and-their-potential-role-defense02989nas a2200277 4500008004100000022001400041245016400055210006900219260000800288300001100296490000800307520198800315653002502303653002102328653002202349653001902371100002302390700002802413700002902441700002102470700001802491700001802509700002602527700003002553856012802583 2026 eng d a1385-894700aPotential tuneable glucose oxidation to selective C6 molecules and CC cleavage, and parallel green H2 production: sustainable high current density electrolysis0 aPotential tuneable glucose oxidation to selective C6 molecules a cFEB a1726330 v5293 a

Current study elucidates the electrocatalytic efficacy of palladium-nanocubes (Pd-NCs) for the selective oxidation of glucose to value-added chemicals with concomitant hydrogen evolution. The Pd-NC catalyst demonstrated exceptional activity and product selectivity, achieving nearly quantitative glucose conversion (>99 %) with high gluconic and glucaric acid yield at low anodic overpotential (0.6 V vs. RHE) in alkaline electrolyte. At not-so-high elevated potentials (1.2 V vs. RHE), oxidative CC scission prevails, yielding shorter-chain carboxylates along with C6-acids. Reaction products are thoroughly characterized and quantitatively estimated by NMR spectral methods; NMR methods also provide CC cleavage and mechanistic pathways of glucose to various products. Complementary DFT calculations delineate the thermodynamic favorability of glucose adsorption on Pd-NC surfaces (-1.83 eV) and the exergonic oxidation pathway under applied bias, corroborating experimental product distributions. In a two-electrode electrolyzer, Pd-NC anode paired with Pt/C and Ni2P cathode demonstrates 100 mA/cm(2) at 0.99 V and 1.37 V, respectively, with 48 % reduction in energy input (26.6 kWh/kg H-2) compared to conventional alkaline electrolysis; critically, H-2 production energy is lower than the usable energy (33.3 kWh/kg H-2). Sustainable chronopotentiometric assays confirm sustainability (similar to 140 h) in alkaline as well as saline electrolytes, underscoring the system's resilience against chloride-mediated corrosion. Present work establishes a proof of concept for integrated biomass-component valorization and carbon-negative green hydrogen production, merging atomic-level mechanistic insights with scalable reactor design. Optimization of reaction parameters, including potential tuning, reaction temperature and electrolyte engineering, offers a compelling strategy to further enhance C6 and fragmented product selectivity and overall system efficiency.

10abiomass valorization10aelectrocatalysis10aenergy conversion10aSustainability1 aChauhan, Inderjeet1 aPatra, Kshirodra, Kumar1 aVijay, Pothoppurathu, M.1 aNalajala, Naresh1 aMehta, Shweta1 aJoshi, Kavita1 aRavindranathan, Sapna1 aGopinath, Chinnakonda, S. uhttps://library.ncl.res.in/content/potential-tuneable-glucose-oxidation-selective-c6-molecules-and-cc-cleavage-and-parallel01668nas a2200241 4500008004100000022001400041245008500055210006900140260000900209300001100218490000800229520088100237653002101118653002601139653001801165100002201183700002001205700001801225700002001243700001801263700002801281856011701309 2026 eng d a0960-894X00aRepurposed ciprofloxacin derivatives as potent autophagic-type anticancer agents0 aRepurposed ciprofloxacin derivatives as potent autophagictype an cJAN  a1304320 v1303 a

Drug repurposing - also known as drug repositioning is a proven strategy for identifying new therapeutic uses for existing and pre-approved drugs with considerable success in recent years. Herein, we report the discovery of a novel class of ciprofloxacin-amino acid conjugates that are dynamically potent against different cancer cell lines. Some of the molecules reported herein displayed a strong anti-proliferative effect on MCF-7 (IC50: 6 mu M). The most active anti-proliferative molecule of this series 7a suppressed the proliferation of HCT116, A549, and MDAMB-231 cancer cell lines. Furthermore, we established that the treatment with 7a leads to DNA damage-mediated autophagic cell death in cancer cells. Our findings suggest that appropriate derivatization of the ciprofloxacin drug can yield promising anti-cancer compounds in easy synthetic operations.

10aAnticancer drugs10aAutophagic cell death10aciprofloxacin1 aGone, Nilu, Vijay1 aSharma, Tanisha1 aJoshi, Rakesh1 aUpreti, Akshita1 aSantra, Manas1 aSanjayan, Gangadhar, J. uhttps://library.ncl.res.in/content/repurposed-ciprofloxacin-derivatives-potent-autophagic-type-anticancer-agents02648nas a2200241 4500008004100000022001400041245014700055210006900202260000800271300001100279490000800290520179100298653002302089653001302112653001802125653003302143100002402176700001802200700002102218700002502239700001902264856012302283 2026 eng d a0957-582000aSolvent-assisted chemical recycling of polycarbonate using glycerol as a renewable chemical: mechanistic insights and statistical optimization0 aSolventassisted chemical recycling of polycarbonate using glycer cMAR a1085920 v2093 a

The rapid accumulation of polycarbonate (PC) waste has driven the development of efficient recycling methods. This study presents a comprehensive investigation of solvent-assisted chemical recycling of PC using glycerol, a renewable chemical derived from industrial waste streams. Solvent screening highlighted the critical influence of solvent properties such as dielectric constant, dipole moment and hydrogen-bond accepting ability on depolymerization efficiency. A systematic approach combining Design of Experiments (DoE) and Response Surface Methodology (RSM) was employed to optimize the depolymerization process. Using a Box-Behnken design (BBD), the effects of key process parameters, including temperature, reaction time and the glycerol (GLY:PC) and dimethylformamide (DMF:PC) weight ratios, were evaluated in terms of PC conversion and bisphenol A (BPA) yield. The optimization model predicted that a reaction temperature of 171 degrees C, a reaction time of 1 h and a PC: GLY:DMF ratio of 1:5.05:7.22 would yield 100 % PC conversion and 85 % BPA yield. Experimental validation under these conditions achieved 100 % PC conversion and 83 % BPA yield, confirming the reliability of the model. Product characterization using NMR, LC-HRMS and FTIR confirmed the purity of BPA and provided insights into the reaction mechanism. The solvent recyclability across successive reaction cycles demonstrated the environmental and economic viability of the process. Overall, the energy demand calculation based on the environmental energy impact factor (xi) highlights the industrial relevance of this work and demonstrate an efficient and environmentally friendly catalyst-free route for depolymerization of polycarbonate with strong potential for industrial implementation.

10aChemical Recycling10aGlycerol10aPolycarbonate10aResponse surface methodology1 aMarkandeya, Nishant1 aJadhav, Mayur1 aGopale, Prafulla1 aRamalingam, Karthick1 aKamble, Sanjay uhttps://library.ncl.res.in/content/solvent-assisted-chemical-recycling-polycarbonate-using-glycerol-renewable-chemical02057nas a2200205 4500008004100000022001400041245008000055210006900135260000800204300001100212490000800223520141000231653001701641653001501658653002401673653000801697100001701705700001801722856011101740 2026 eng d a0169-433200aWhen facets meet impurities: Trace gas dominance over CO2 adsorption on ZnO0 aWhen facets meet impurities Trace gas dominance over CO2 adsorpt cMAY a1661510 v7293 a

The catalytic hydrogenation of CO2 to methanol using Cu-ZnO/Al2O3 (CZA) is a key route for sustainable chemical production, when coupled with CO2-rich industrial off-gases. However, trace secondary gases, though present only at ppm levels, can poison active sites and suppress catalytic performance. In this work, we employ periodic density functional theory (DFT) to investigate interactions of H2S, SO2, NO2, NO, CO and CH4 with ZnO surfaces:(10(-)10), (10(-)11), (11(-)20), (10(-)13), and (11(-)22), and compared their adsorption pattern with CO2, the principle component of methanol synthesis. H2S dissociates on all the surfaces, SO2, and NO2 are chemisorbed, CH4 remains physisorbed, and NO, CO, and CO2 exhibit facet-dependent adsorption. Electronic structure analysis reveal that chemisorption occurs when surface energy states near the Fermi level overlap with HOMO of adsorbate, enabling charge transfer, whereas physisorption lacks such overlap. The adsorption strength follows the order: H2S SO2 NO2 NO CO CO2 CH4, suggesting that sulfur and nitrogen containing species exhibit strong chemisorption and compete with CO2 for active sites, potentially impacting the efficiency of methanol synthesis. These insights provide an atomic scale understanding of impurity-surface interactions and highlight potential role of ZnO as an efficient feed stock purifier for CO2-rich gas streams.

10aCZA catalyst10aflue gases10aValorization of CO210aZnO1 aBhati, Meema1 aJoshi, Kavita uhttps://library.ncl.res.in/content/when-facets-meet-impurities-trace-gas-dominance-over-co2-adsorption-zno