02050nas a2200193 4500008004100000022001400041245012900055210006900184260007100253300001400324490000600338520126600344100002501610700002101635700002401656700002301680700002501703856012801728 2005 eng d a1528-748300aIdentical molecular strings woven differently by intermolecular interactions in dimorphs of myo-inositol 1,3,5-orthobenzoate0 aIdentical molecular strings woven differently by intermolecular  a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcSEP a1977-19820 v53 a

myo-Inositol 1,3,5-orthobenzoate exhibits polymorphic behavior depending upon the solvent and time allowed for crystallization. Long plates (form I, monoclinic P2(1)/n) are produced on crystallization from methanol, while crystallization from ethyl acetate mostly yielded squarish plates (form II, monoclinic P2(1)/c). The latter could also be obtained by achieving rapid nucleation from a supersaturated solution of methanol. Remarkably, the overall conformation of the individual molecules is very similar in both polymorphs, although free rotations were possible for the phenyl ring and for the three O-H groups. O-H center dot center dot center dot O linked one-dimensional isostructural molecular strings in the two forms weave differently by weak intermolecular interactions to produce the dimorphs. Striking difference is seen in the ``zipping'' of molecular layers via phenyl center dot center dot center dot phenyl contacts; thermodynamic crystals of form I utilize a well-recognized ``edge-to-face'' herringbone pattern, making C-H center dot center dot center dot pi interactions, whereas the kinetic crystals of form II show rather uncommon ``edge-to-edge'' organization, which makes short Ph-H center dot center dot center dot H-Ph contacts.

1 aBhosekar, Gaurav, V.1 aMurali, Chebrolu1 aGonnade, Rajesh, G.1 aShashidhar, M., S.1 aBhadbhade, Mohan, M. uhttps://library.ncl.res.in/content/identical-molecular-strings-woven-differently-intermolecular-interactions-dimorphs-myo-101654nas 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-002298nas a2200169 4500008004100000022001400041245016400055210006900219260007100288300001400359490000700373520157900380100001201959700001401971700001101985856013201996 2005 eng d a0006-296000aIllustration of HIV-1 protease folding through a molten-globule-like intermediate using an experimental model that implicates alpha-crystallin and calcium ions0 aIllustration of HIV1 protease folding through a moltenglobulelik a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcMAR a3725-37340 v443 a

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

1 aDash, C1 aSastry, M1 aRao, M uhttps://library.ncl.res.in/content/illustration-hiv-1-protease-folding-through-molten-globule-intermediate-using-experimental-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-001467nas a2200253 4500008004100000022001400041245014100055210006900196260008900265300001400354490000700368520052400375653002600899653002500925653002500950653001600975653001800991653001401009653002201023100001301045700001401058700001501072856012601087 2005 eng d a0376-469900aImproved synthesis of an energetic material, 1,3,3-trinitroazetidine (TNAZ) exploiting 2-iodoxy benzoic acid (IBX) as an oxidising agent0 aImproved synthesis of an energetic material 133trinitroazetidine aDR K S KRISHNAN MARG, NEW DELHI 110 012, INDIAbNATL INST SCIENCE COMMUNICATIONcDEC a2560-25630 v443 a

Tetrahydropyranyl protected 1,3-dihalo-2-propanol reacts with p-toluene sulfonamide in the presence of K2CO3 to give corresponding N-p-tosyl-3-azetidinol. Deprotection and oxidation with iodoxy benzoic acid followed by oximation of N-p-tosyl-3-azetidinone readily affords the corresponding azetidine oxime in almost quantitative yield. The subsequent oxidative nitrolysis of oxime gives 1,3,3-trinitroazetidine (TNAZ) through a new sequence of reactions with excellent purity (> 99%) and moderate yield (40%).

10a2-iodoxy benzoic acid10ainsensiive munitions10aoxidative nitrolysis10aoximination10astrained ring10asynthesis10atrinitroazetidine1 aSingh, A1 aSikder, N1 aSikder, AK uhttps://library.ncl.res.in/content/improved-synthesis-energetic-material-133-trinitroazetidine-tnaz-exploiting-2-iodoxy-001645nas a2200241 4500008004100000022001400041245011200055210006900167260007300236300001200309490000800321520074400329653001801073653001901091653002701110653003201137653001501169100002101184700002401205700001801229700002401247856013201271 2005 eng d a0304-423800aIn ovulo rescue of hybrid embryos in flame seedless grapes - influence of pre-bloom sprays of benzyladenine0 aIn ovulo rescue of hybrid embryos in flame seedless grapes influ aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcOCT a353-3590 v1063 a

Based on the theory that cytokinins are known to increase the sink strength of seeds for assimilates, the present investigation was carried out to study the influence of pre-bloom and bloom time sprays of benzyladenine (BA) on embryo recovery, germination and plant development in Flame Seedless grape variety by using in ovulo rescue methods. The combined effect of pollen parent type and sprays of BA drastically improved these parameters and the embryo recovery was more than doubled in all the crosses, except in cross FS x Concord. Also, germination of embryos was higher when BA sprays were given. Recovery of embryos and growth depended on BA treatment and the pollen parent types. (c) 2005 Elsevier B.V. All rights reserved.

10abenzyladenine10aflame seedless10ain ovulo embryo rescue10ainterspecific hybridization10aVitis spp.1 aBharathy, P., V.1 aKaribasappa, G., S.1 aPatil, S., G.1 aAgrawal, Dinesh, C. uhttps://library.ncl.res.in/content/ovulo-rescue-hybrid-embryos-flame-seedless-grapes-influence-pre-bloom-sprays-benzyladenine-002356nas a2200253 4500008004100000022001400041245017200055210006900227260006800296300001200364490000700376520143100383653000901814653002701823653001901850653002201869653000801891653000901899100001101908700001501919700002401934700001501958856012901973 2005 eng d a0887-624X00aIn situ polymerization of ethylene with bis(imino)pyridine iron(II) catalysts supported on clay: the synthesis and characterization of polyethylene-clay nanocomposites0 aIn situ polymerization of ethylene with bisiminopyridine ironII  a111 RIVER ST, HOBOKEN, NJ 07030 USAbJOHN WILEY & SONS INCcJAN a304-3180 v433 a

Polyethylene-clay nanocomposites were synthesized by in situ polymerization with 2,6-bis[1-(2,6-diisopropylphenylimino)ethyl] pyridine iron(II) dichloride supported on a modified montmorillonite clay pretreated with methylaluminoxane (MAO). The catalysts and the obtained nanocomposites were examined with wide-angle X-ray scattering. The exfoliation of the clay was further established by transmission electron microscopy. Upon the treatment of the clay with MAO, there was an increase in the d-spacing of the clay galleries. No further increase in the d-spacing of the galleries was observed with the iron catalyst supported on the MAO-treated clay. The catalyst activity for ethylene polymerization was independent of the Al/Fe ratio. The exfoliation of the clay inside the polymer matrix depended on various parameters, such as the clay content, catalyst content, and Al/Fe ratio. The crystallinity percentage and crystallite size of the nanocomposites were affected by the degree of exfoliation of the clay. Moreover, when ethylene was polymerized with a mixture of the homogeneous iron(II) catalyst and clay, the degree of exfoliation was significantly lower than when the polymerization was performed with a preformed clay-supported catalyst. This observation suggested that in the supported catalyst, at least some of the active centers resided within the galleries of the clay. (C) 2004 Wiley Periodicals, Inc.

10aclay10aIn situ polymerization10aNanocomposites10apolyethylene (PE)10aTEM10aWAXS1 aRay, S1 aGalgali, G1 aLele, Arundhati, C.1 aSivaram, S uhttps://library.ncl.res.in/content/situ-polymerization-ethylene-bisiminopyridine-ironii-catalysts-supported-clay-synthesis-102702nas a2200337 4500008004100000022001400041245012800055210006900183260007300252300001200325490000700337520156900344653003201913653002601945653001601971653001701987653001402004653001302018653001702031653002302048653001702071653003002088653002002118653000802138100001302146700001502159700001802174700001502192700003002207856012702237 2005 eng d a0926-337300aIn situ XPS investigations of Cu1-xNixZnAl-mixed metal oxide catalysts used in the oxidative steam reforming of bio-ethanol0 aIn situ XPS investigations of Cu1xNixZnAlmixed metal oxide catal aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcFEB a287-2990 v553 a

A series of CuNiZnAl-multicomponent mixed metal oxide catalysts with various Cu/Ni ratios were prepared by the thermal decomposition of Cu1-xNixZnAl-hydrotalcite-like precursors and tested for oxidative steam reforming of bio-ethanol. Dehydrogenation of EtOH to CH3CHO is favored by Cu-rich catalyst. Introduction of Ni leads to C-C bond rupture and producing CO, CO2 and CH4. H-2 yield (selectivity) varied between 2.6-3.0 mol/mol of ethanol converted (50-55%) for all catalysts at 300 degreesC. The above catalysts were subjected to in situ XPS studies to understand the nature of active species involved in the catalytic reaction. Core level and valence band XPS as well as Auger electron spectroscopy revealed the existence of Cu2+, Ni2+ and Zn2+ ions on calcined materials. Upon in situ reduction at reactions temperatures, the Cu2+ was fully reduced to Cu-0. while Ni2+ and Zn2+ were partially reduced to Ni-0 and Zn-0, respectively. On reduction, the nature of ZnO on Cu-rich catalyst changes from crystalline to amorphous, relatively inert and highly stabilized electronically. Relative concentration of the Ni-0 and Zn-0 increases upon reduction with decreasing Cu-content. Valence band results demonstrated that the overlap between 3d bands of Cu and Ni was marginal on calcined materials, and no overlap due to metallic clusters formation after reduction. Nonetheless, the density of states at Fermi level increases dramatically for Ni-rich catalysts and likely this influences the product selectivity. (C) 2004 Elsevier B.V. All rights reserved.

10aauger electron spectroscopy10aAutothermal reforming10aBio-ethanol10acopper oxide10afuel cell10aHydrogen10ahydrotalcite10amixed metal oxides10anickel oxide10aoxidative steam reforming10aSteam reforming10aXPS1 aVelu, S.1 aSuzuki, K.1 aVijayaraj, M.1 aBarman, S.1 aGopinath, Chinnakonda, S. uhttps://library.ncl.res.in/content/situ-xps-investigations-cu1-xnixznal-mixed-metal-oxide-catalysts-used-oxidative-steam-002418nas a2200265 4500008004100000022001400041245011200055210006900167260007300236300001200309490000900321520145600330653001901786653001901805653002501824653002201849653002501871100002001896700002801916700002001944700001801964700002401982700002102006856012502027 2005 eng d a0304-416500aIn vivo and in vitro effect of capsicum annum proteinase inhibitors on helicoverpa armigera gut proteinases0 aIn vivo and in vitro effect of capsicum annum proteinase inhibit aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcMAR a156-1670 v17223 a

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

10aCapsicum annum10agut proteinase10aHelicoverpa armigera10ainsect resistance10aProteinase inhibitor1 aTamhane, V., A.1 aChougule, Nanasaheb, P.1 aGiri, Ashok, P.1 aDixit, A., R.1 aSainani, Mohini, N.1 aGupta, Vidya, S. uhttps://library.ncl.res.in/content/vivo-and-vitro-effect-capsicum-annum-proteinase-inhibitors-helicoverpa-armigera-gut-002815nas a2200241 4500008004100000022001400041245014600055210006900201260009000270300001800360490000600378520190300384100001502287700001402302700001402316700001502330700002202345700001802367700002002385700001702405700002502422856012602447 2005 eng d a1475-285900aInactive enzymatic mutant proteins (phosphoglycerate mutase and enolase) as sugar binders for ribulose-1,5-bisphosphate regeneration reactors0 aInactive enzymatic mutant proteins phosphoglycerate mutase and e aMIDDLESEX HOUSE, 34-42 CLEVELAND ST, LONDON W1T 4LB, ENGLANDbBIOMED CENTRAL LTDcFEB aArticle No. 50 v43 a

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

1 aDe, Dinesh1 aDutta, D.1 aKundu, M.1 aMahato, S.1 aSchiavone, M., T.1 aChaudhuri, S.1 aGiri, Ashok, P.1 aGupta, Vidya1 aBhattacharya, S., K. uhttps://library.ncl.res.in/content/inactive-enzymatic-mutant-proteins-phosphoglycerate-mutase-and-enolase-sugar-binders-101735nas a2200253 4500008004100000022001400041245009500055210006900150260009500219300001200314490000800326520082500334653002001159653002301179653001601202653002001218100002101238700001701259700002001276700001901296700002701315700001701342856012201359 2005 eng d a1090-780700aIncreasing the sensitivity of 2D high-resolution NMR methods applied to quadrupolar nuclei0 aIncreasing the sensitivity of 2D highresolution NMR methods appl a525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USAbACADEMIC PRESS INC ELSEVIER SCIENCEcFEB a268-2780 v1723 a

Gan and Kwak recently proposed a soft-pulse added mixing (SPAM) idea in the classical two-pulse multiple-quantum magic-angle spinning scheme. In the SPAM method, a soft pi/2 pulse is added after the second hard-pulse (conversion pulse) and all coherence orders in between them are constructively used to obtain the signal. We, here, further extend this idea to distributed samples where the signal mainly results from echo pathways and that from anti-echo pathways dies Out after a few t(1) increments. We show that, with a combination of SPAM and collection of fewer anti-echoes, an enhancement of the signal to noise ratio by a factor of ca. 3 may be obtained over the z-filtered version. This may prove to be useful even for samples with long T'(2) relaxation times. (C) 2004 Elsevier Inc. All rights reserved.

10ahigh-resolution10aquadrupolar nuclei10asensitivity10aSolid-state NMR1 aAmoureux, J., P.1 aDelevoye, L.1 aSteuernagel, S.1 aGan, Zhengting1 aGanapathy, Subramanian1 aMontagne, L. uhttps://library.ncl.res.in/content/increasing-sensitivity-2d-high-resolution-nmr-methods-applied-quadrupolar-nuclei-000621nas a2200169 4500008004100000022001400041245006300055210006200118260008700180300001400267490000700281100001500288700001700303700001800320700001700338856009600355 2005 eng d a0011-389100aIndCollections: biological specimens in Indian collections0 aIndCollections biological specimens in Indian collections aC V RAMAN AVENUE, PO BOX 8005, BANGALORE 560 080, INDIAbCURRENT SCIENCE ASSNcNOV a1454-14550 v891 aChavan, V.1 aRane, N., S.1 aGhate, H., V.1 aKrishnan, S. uhttps://library.ncl.res.in/content/indcollections-biological-specimens-indian-collections-000574nas a2200181 4500008004100000245004800041210004700089260000800136490000700144100002600151700002200177700002300199700002400222700002100246700001500267700003200282856007800314 2005 eng d00aIndia: apremier destination for outsourcing0 aIndia apremier destination for outsourcing cJAN0 v421 aChorghade, Mukund, S.1 aChorghade, V., M.1 aGurjar, Mukund, K.1 aRamana, Chepuri, V.1 aKamerkar, A., V.1 aZafran, H.1 aMashelkar, Raghunath, Anant uhttps://library.ncl.res.in/content/india-apremier-destination-outsourcing01875nas a2200265 4500008004100000022001400041245011600055210006900171260008900240300001200329490000700341520088300348653002901231653001701260653003301277653001701310653001201327653002401339653004301363100001501406700002601421700001901447700001401466856012901480 2005 eng d a0379-513600aIndOBIS, an ocean biogeographic information system for assessment and conservation of indian ocean biodiversity0 aIndOBIS an ocean biogeographic information system for assessment aDR K S KRISHNAN MARG, NEW DELHI 110 012, INDIAbNATL INST SCIENCE COMMUNICATIONcMAR a120-1270 v343 a

Compilation of inventories of components of coastal and marine biodiversity of Indian Ocean is hampered by several factors: low effort by some countries, preference to certain taxon, dwindling taxonomic expertise, low infrastructure of Information Technology, databases that are scattered and often non-interoperable, inconsistent reporting and a marked reluctance to share data and information. The creation of the Indian Ocean node of the Ocean Biogeographic Information System is meant to overcome some of these constraints. Benefiting from progress in Information Technology and building on the global efforts on understanding what lives in our seas, the IndOBIS aims to grow into a self-sustaining and collectively supported process of information collation, analysis and dissemination, serving the countries of the region and the international scientific community.

10abiodiversity informatics10abiogeography10adistributed database systems10aIndian Ocean10aIndOBIS10ainformation systems10aOcean Biogeographic Information System1 aChavan, V.1 aAchuthankutty, C., T.1 aBerghe, Vanden1 aWafar, M. uhttps://library.ncl.res.in/content/indobis-ocean-biogeographic-information-system-assessment-and-conservation-indian-ocean-001860nas a2200253 4500008004100000022001400041245012300055210006900178260007300247300001200320490000600332520095300338653001501291653001501306653001101321653002401332653002301356653002801379100001901407700001701426700001701443700001801460856012801478 2005 eng d a1566-736700aInfluence of alkali metal doping on selectivity behaviour of platinum catalysts for hydrogenation of 2-butyne-1,4-diol0 aInfluence of alkali metal doping on selectivity behaviour of pla aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcNOV a725-7300 v63 a

Hydrogenation of 2-butyne-1,4-diol to 2-butene-1,4-diol (B(2)D) and butane-1,4-diol (B(1)D) using Pt catalysts doped with alkali metals was studied. These catalysts showed higher selectivity to the olefinic diol (B2D) compared to that with monometallic platinum catalyst. Among various alkali metals, Cs-doped catalyst showed highest selectivity (>99%) to B(2)D. The selectivity to B(2)D increased (up to 99.9%) with increase in the concentration of Cs from 0.25% to 1%. The increase in the basic strength of alkali doped catalysts measured by CO(2)-TPD, would be responsible for the increase in electron density of Pt hence, faster desorption and higher selectivity to the intermediate olefinic diol (B(2)D). The reaction parameters; such as temperature, H(2) pressure and substrate concentration haye strong influence on the catalyst activity but almost no effect on the selectivity to B(2)D. (c) 2005 Elsevier B.V. All rights reserved.

10a2-butene-110a2-butyne-110a4-diol10aalkali metal doping10aplatinum catalysts10aSelective hydrogenation1 aTelkar, M., M.1 aRode, C., V.1 aRane, V., H.1 aChaudhari, R. uhttps://library.ncl.res.in/content/influence-alkali-metal-doping-selectivity-behaviour-platinum-catalysts-hydrogenation-2-002223nas a2200241 4500008004100000022001400041245012700055210006900182260007300251300001000324490000700334520131100341653001201652653002601664653002201690653003701712653002601749100002601775700001501801700001701816700002601833856012201859 2005 eng d a1387-181100aInfluence of hydrothermal pretreatment on acidity and activity of H-GaAlMFI zeolite for the propane aromatization reaction0 aInfluence of hydrothermal pretreatment on acidity and activity o aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcDEC a23-320 v873 a

The acidity and propane aromatization activity of H-GaAlMFI has been investigated subsequent to different hydrothermal (HT) pretreatments. Extensive degalliation of framework Ga occurred during the HT pretreatments; the framework Si/Ga ratio nearly doubled when the steam concentration was increased from 0% to 80%. The extent of degalliation and corresponding loss of strong zeolitic acidity (measured in terms of pyridine chemisorbed at 400 degrees C) was particularly severe at high (> 500 degrees C) temperatures and steam concentrations (> 40 mol%). Framework Al in the GaAlMFI zeolite was found to be very stable; the FW Si/Al ratio did not change to any appreciable extent even after severe HT pretreatments. Each of the HT pretreatment parameters (concentration of steam: 0-80%, HT temperature: 400-600 degrees C and length of HT pretreatment: 0-6 h) showed a profound influence on the propane aromatization activity. The product selectivity was, however, only mildly affected by the HT pretreatments. The following factors were found to be important for high propane aromatization activity (a) strong zeolitic acidity and (b) optimal content/dispersion of the extra-framework Ga species which are formed in situ during the HT pretreatments. (c) 2005 Elsevier Inc. All rights reserved.

10aAcidity10aaromatic distribution10aGa-based zeolites10ahydrothermal treatment and steam10apropane aromatization1 aChoudhary, Tushar, V.1 aKinage, A.1 aBanerjee, S.1 aChoudhary, Vasant, R. uhttps://library.ncl.res.in/content/influence-hydrothermal-pretreatment-acidity-and-activity-h-gaalmfi-zeolite-propane02310nas a2200253 4500008004100000022001400041245008900055210006900144260007300213300001100286490000600297520140500303653002301708653001401731653003401745653003201779653001501811653001401826653003001840100002601870700001701896700002601913856011701939 2005 eng d a1566-736700aInfluence of PdO content and pathway of its formation on methane combustion activity0 aInfluence of PdO content and pathway of its formation on methane aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcFEB a97-1000 v63 a

The methane oxidation reaction is known to induce changes in the surface structure and composition of Pd catalysts; making it extremely arduous to relate the methane oxidation activity to specific catalyst properties by conventional methods (continuous flow reactor studies). To circumvent this, methodical pulse reactor studies have been undertaken to obtain correlations between the initial methane combustion activity and the catalyst properties (Pd-0/PdO content and path of PdO formation). While the initial methane combustion activity (at 160-280 degreesC) continuously increased with increasing PdO concentration (0-100%) in the catalyst, it continuously decreased with increasing Pddegrees content (0-100%). Controlled studies were undertaken to obtain catalysts with identical PdO content by two pathways: (i) by controlled partial oxidization of Pd-0/Al2O3 and (ii) by controlled partial reduction of PdO/Al2O3. Interestingly, for a given PdO content, the catalysts obtained by partial oxidation of Pd-0/Al2O3 showed a significantly superior performance to the catalyst obtained by partial reduction of PdO/Al2O3 for all the temperatures investigated. These studies unambiguously show that along with the relative concentration of PdO, the PdO formation pathway is also critical in deciding the methane combustion activity of the catalyst. (C) 2004 Elsevier B.V. All rights reserved.

10aMethane combustion10aOxidation10apartially oxidized Pd-0/Al2O310apartially reduced PdO/Al2O310aPd-0/Al2O310aPdO/Al2O310apulse reaction of methane1 aChoudhary, Tushar, V.1 aBanerjee, S.1 aChoudhary, Vasant, R. uhttps://library.ncl.res.in/content/influence-pdo-content-and-pathway-its-formation-methane-combustion-activity-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-001967nas a2200229 4500008004100000022001400041245010400055210006900159260007300228300001000301490000800311520116300319653001401482653001101496653001501507653001401522653001301536100001601549700002601565700001801591856012801609 2005 eng d a1381-116900aInfluence of silica source in the catalytic activity and heterogenity of mesoporous vanadosilicates0 aInfluence of silica source in the catalytic activity and heterog aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcSEP a57-630 v2393 a

Vanadium-substituted ordered mesoporous silicates (V-OMS) were synthesized hydrothermally using two common silica sources, viz. fumed silica and tetraethyl orthosilicate, and their surface properties and catalytic activities were evaluated in the liquid phase oxidation of 1-napthol using aqueous H2O2 as an oxidant. The catalysts were characterized by XRD, N-2, adsorption-desorption, DRUV-vis and TPR to evaluate the mesostructural ordering and the local environment of vanadium in the MCM-41 matrix. Characterization data of the fresh calcined catalysts reveal a more ordered hexagonal structure for the V-MCM-41 catalyst prepared by using tetraethyl orthosilicate as the silica source while spent catalyst showed that the material is less stable than the V-MCM-41 catalyst prepared by using fumed silica as the silica source. Further, the observed differences in the selectivity behavior of extracted and calcined forms of both vanadium catalysts shows that the treatment conditions had a decisive role in the formation of extra framework metal species and further in the mesoscopic structural ordering. (c) 2005 Elsevier B.V. All rights reserved.

10a1-napthol10aMCM-4110aMesoporous10aOxidation10aVanadium1 aShylesh, S.1 aMirajkar, Subhash, P.1 aSingh, A., P. uhttps://library.ncl.res.in/content/influence-silica-source-catalytic-activity-and-heterogenity-mesoporous-vanadosilicates-001724nas a2200217 4500008004100000020001800041022001400059245011200073210006900185260012300254300001200377490000800389520088500397100001201282700001801294700001701312700001301329700001501342700001801357856013101375 2005 eng d a0-444-52082-1 a0167-299100aInfluence of Sn- and Al- metal sources on post-synthesis modification of mesoporous SBA-15 molecular sieves0 aInfluence of Sn and Al metal sources on postsynthesis modificati aPrague, Czech RepublicbElsevier Science BV, Sara Burgerhartstraat 25, Po Box 211, 1000 AE Amsterdam, NetherlandscAUG a565-5720 v1583 a

Mesoporous silica SBA-15 has been incorporated with various amounts of Sn and Al by post synthesis grafting technique, which results in excellent structural integrity and enhanced acidity. Physico-chemical characterization was done by various spectroscopic methods to understand the chemical nature of incorporated Sn and Al. XRD and BET results show that the hexagonal structural of the SBA-15 is maintained during the grafting with no loss of long range structure ordering. (119)Sn NMR Spectrum shows the presence of Sri in essentially octahedral environment, while 27 Al MAS NMR results confirm that a large proportion of the Al is in tetrahedral position. The resulting Sn and Al-grafted materials possess considerable catalytic activity in the transesterification of diethylmalonate (medium acidity) and isopropylation of naphthalene (strong acid sites), respectively.

1 aShah, P1 aRamaswamy, AV1 aRamaswamy, V1 aCejka, J1 aZilkova, N1 aNachtigall, P uhttps://library.ncl.res.in/content/influence-sn-and-al-metal-sources-post-synthesis-modification-mesoporous-sba-15-molecular-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-002717nas a2200301 4500008004100000022001400041245010700055210006900162260007300231300001200304490000800316520171400324653001202038653001802050653002302068653001002091653000702101653001302108653002002121653001802141653002302159100001802182700001602200700002802216700001802244700003002262856012302292 2005 eng d a1381-116900aInsight into the mechanism of selective mono-N-methylation of aniline on Cu1-xZnxFe2O4: a DRIFTS study0 aInsight into the mechanism of selective monoNmethylation of anil aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcAPR a169-1800 v2313 a

Mechanism of selective mono-N-methylation of aniline with methanol on Cu1-xZn2FeO4 catalysts was investigated in detail. The interaction of reactants (aniline. methanol and methanol: aniline) and possible products (N-methylaniline (NMA), N,N-dimethylaniline (DMA) and o-toluidine (OT)) on catalysts surface was studied by temperature-dependent in situ FTIR spectroscopy. Methanol adsorbs dissociatively over catalysts surface at 373 K as methoxy species and is oxidized to formate species at high temperature through dioxymethylene and/or formaldehyde as a surface intermediate species. On the other hand, adsorption of aniline:methanol mixtures shows that methanol oxidation was completely hindered in the presence of aniline. Aniline adsorbs on the Lewis acid sites at <= 373 K with phenyl ring oriented in a perpendicular manner to the catalyst surfaced however, N-H bond scission occurs above 373 K. A comparison of adsorbed NMA and methanol: am line (3:1) mixture on Cu0.5Zn0.5Fe2O4 shows NMA forms from the reaction mixture at 473 K. However, maximum activity at 573 K in catalytic reaction studies suggests that desorption limits the methylation kinetics. FTIR study displays stable aniline and methyl species on ZnFe2O4 even at 573 K; however. no methyl species is detected on Cr0.95Zn0.05Fe2O4 at 473 K due to methanol reforming reaction and that limits the overall reaction and hence low catalytic activity. It is proposed that methanol is protonated on catalysts surface by the labile H+ due to N-H bond scission. Co-adsorption of acidity probes with aniline and methanol indicates that aniline methylation takes place at single acid-base site. (c) 2005 Elsevier B.V. All rights reserved.

10aAniline10aCu1-xZnxFe2O410adesorption limited10aDRIFT10aIR10aMethanol10aN-methylaniline10aN-methylation10areaction mechanism1 aVijayaraj, M.1 aMurugan, B.1 aUmbarkar, Shubhangi, B.1 aHegde, S., G.1 aGopinath, Chinnakonda, S. uhttps://library.ncl.res.in/content/insight-mechanism-selective-mono-n-methylation-aniline-cu1-xznxfe2o4-drifts-study-001714nas a2200193 4500008004100000022001400041245008100055210006900136260007100205300001400276490000700290520103000297100002201327700001301349700001401362700001601376700001601392856011201408 2005 eng d a0888-588500aIntegrated fuel cell processor for a 5-kW proton-exchange membrane fuel cell0 aIntegrated fuel cell processor for a 5kW protonexchange membrane a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcMAR a1535-15410 v443 a

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

1 aRatnamala, G., M.1 aShah, N.1 aMehta, V.1 aRao, P., V.1 aDevotta, S. uhttps://library.ncl.res.in/content/integrated-fuel-cell-processor-5-kw-proton-exchange-membrane-fuel-cell-001975nas a2200205 4500008004100000022001400041245004300055210004300098260007300141300001200214490000600226520134100232653003901573653001801612653001301630100001901643700001701662700001501679856007501694 2005 eng d a1567-173900aInterfacing biology with nanoparticles0 aInterfacing biology with nanoparticles aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcFEB a118-1270 v53 a

New approaches are constantly being developed for both the synthesis of inorganic nanomaterials and their surface modification for sensing and electronic applications. Insofar as surface modification of gold nanoparticles is concerned, thiol chemistry is the most popular approach to bind ligands to their surface. We have been pursuing the possibility of using amine functionality to bind ligands to the surface of gold nanoparticles and have found that amine binding is as strong as thiol binding. The advantages of using amine chemistry for surface modification of nanogold are many, the possibility of complexing a large variety of biomolecules such as amino acids and proteins being one of the most important. In this article, we review the work from this laboratory on the stabilization of gold nanoparticles using amino acids as well as using amino acids as reducing agents to obtain stable aqueous solutions of gold nanoparticles of variable size. We also discuss the possibility of forming bioconjugates of enzymes with gold nanoparticles decorating the surface of polymer microspheres and their application as reusable biocatalysts. There is much to be gained by marrying nanomaterials with biology with considerable spin-offs likely in both nanotechnology and biotechnology. (C) 2004 Elsevier B.V. All rights reserved.

10aamino acids' enzyme immobilization10aNanoparticles10aProteins1 aMandal, Sujata1 aPhadtare, S.1 aSastry, M. uhttps://library.ncl.res.in/content/interfacing-biology-nanoparticles-001756nas a2200253 4500008004100000022001400041245011100055210006900166260006900235300001400304490000800318520082900326653002301155653002001178653002701198653002301225653002301248653000701271100001801278700002501296700002501321700002901346856012701375 2005 eng d a0022-328X00aIsolation and characterization of an iodide bridged dimeric palladium complex in carbonylation of methanol0 aIsolation and characterization of an iodide bridged dimeric pall aPO BOX 564, 1001 LAUSANNE, SWITZERLANDbELSEVIER SCIENCE SAcMAR a1677-16810 v6903 a

Palladium-catalyzed carbonylation of methanol in presence of iodide promoters was investigated. Iodide bridged palladium dimeric complex, [PPh3CH3](2)[Pd2I6] was isolated from the carbonylation reaction mixture and characterized using X-ray crystallography. Reaction mechanism was proposed based on IR and UV spectroscopic characterizations of catalytic species involved in the catalytic cycle. The isolated dimeric palladium species, [Pd2I6](2-) underwent carbonylation to give monomeric species [PdI3CO](-) at atmospheric pressure of carbon monoxide. It was also observed that PPh3 plays an important role to avoid catalyst deactivation at higher temperatures. Turnover frequency (TOF) of 1052 h(-1) was achieved using Pd(OAC)(2)-HI-PPh3 catalyst system at 175 degrees C. (c) 2005 Elsevier B.V. All rights reserved.

10adirneric palladium10aIR spectroscopy10amethanol carbonylation10apalladium catalyst10areaction mechanism10aUV1 aTonde, S., S.1 aKelkar, Ashutosh, A.1 aBhadbhade, Mohan, M.1 aChaudhari, Raghunath, V. uhttps://library.ncl.res.in/content/isolation-and-characterization-iodide-bridged-dimeric-palladium-complex-carbonylation-101070nas a2200205 4500008004100000022001400041245007100055210006000126260008100186300001600267490000700283520033700290100002200627700001900649700002100668700002000689700002400709700002500733856010600758 2005 eng d a1600-536800aIsopropyl 2,5-anhydro-3,4-di-O-tert-butyldiphenyl-silyl-L-ribonate0 aIsopropyl 25anhydro34diOtertbutyldiphenylsilylLribonate a9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLANDbBLACKWELL PUBLISHINGcAUG aO2724-O27260 v613 a

Determination of the crystal structure of the title compound, C40H50O5Si2, firmly established its relative configuration and hence that of some related tetrahydrofuran carboxylates. The material crystallizes with Z' = 2. Except for the chiral centres, the two independent molecules are related by a pseudo-centre of symmetry.

1 aGlawar, A., F. G.1 aWatkin, D., J.1 aSanjayan, G., J.1 aTranter, G., E.1 aEdwards, Alison, A.1 aFleet, George, W. J. uhttps://library.ncl.res.in/content/isopropyl-25-anhydro-34-di-o-tert-butyldiphenyl-silyl-l-ribonate-001856nas a2200181 4500008004100000022001400041245012200055210006900177260007100246300001600317490000800333520112200341100002401463700002001487700001401507700003001521856012301551 2005 eng d a1520-610600aIsothermal kinetic study of nitric oxide adsorption and decomposition on Pd(111) surfaces: molecular beam experiments0 aIsothermal kinetic study of nitric oxide adsorption and decompos a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcJUL a13283-132900 v1093 a

The kinetics of NO adsorption and dissociation on Pd(111) surfaces and the NO sticking coefficient (S-NO) were probed by isothermal kinetic measurements between 300 and 525 K using a molecular beam instrument. NO dissociation and N-2 productions were observed in the transient state from 425 K and above on Pd(l 11) surfaces with selective nitrogen production. Maximum nitrogen production was observed between 475 and 500 K. It was found that, at low temperatures, between 300 and 350 K, molecular adsorption occurs with a constant initial SNO of 0.5 until the Pd(I 11) surface is covered to about 70-80% by NO. Then SNO rapidly decreases with further increasing NO coverage, indicating typical precursor kinetics. The dynamic adsorption-desorption equilibrium on Pd(I 11) was probed in modulated beam experiments below 500 K. CO titration experiments after NO dosing indicate the diffusion of oxygen into the subsurface regions and beginning surface oxidation at >= 475 K. Finally, we discuss the results with respect to the rate-limiting character of the different elementary steps of the reaction system.

1 aThirunavukkarasu, K1 aThirumoorthy, K1 aLibuda, X1 aGopinath, Chinnakonda, S. uhttps://library.ncl.res.in/content/isothermal-kinetic-study-nitric-oxide-adsorption-and-decomposition-pd111-surfaces-002567nas a2200193 4500008004100000022001400041245012700055210006900182260008900251300001000340490000700350520178700357653002802144653002202172653001602194100001702210700001902227856012702246 2006 eng d a0882-401000aIdentification of a respiratory-type nitrate reductase and its role for survival of mycobacterium smegmatis in wayne model0 aIdentification of a respiratorytype nitrate reductase and its ro a24-28 OVAL RD, LONDON NW1 7DX, ENGLANDbACADEMIC PRESS LTD ELSEVIER SCIENCE LTDcAUG a90-950 v413 a

Nitrate reductase (NR) is found to be expressed in certain mycobacterium sp. whose link with the development of persistence is yet to be resolved. The present study demonstrates the action of selective inhibitors on NR as well as in the survival of Mycobacterium smegmatis using Wayne's model. During gradual shift down to anaerobic stage in Wayne's model, conversion of nitrate to nitrite became apparent in M. smegmatis. More than 97 percent inhibition was observed for the conversion of nitrate to nitrite by azide (0.05 mM) and thiocyanate (20 mM) in both whole-cell as well as its cell-free lysate, respectively. Under identical condition, chlorate (20 mM) inhibited nitrate reduction by 67 and 10 percent, respectively. At these concentrations, neither of azide, thiocyanate nor chlorate had any significant effect on cell growth under aerobic condition. In Wayne's culture model, thiocyanate and chlorate inhibited the growth of M. smegmatis by almost 2 logs at the same concentrations whereas azide inhibited by almost 1.75 log when added at the time of inoculation. Exposure of same culture at 96 h after inoculation in Wayne's model to these inhibitors showed 1.74, 1.95 and 2.37 log inhibition of viable cells with respect to azide, thiocyanate and chlorate. These findings further indicated that NR inhibitors kill the bacilli at anaerobic stage under the experimental condition mentioned. Metronidazole (MTZ) (2 mM) and Nitrofurantoin (NIT) (0.3 mM) reduced the cell number at both stages by < 0.7log. They did not have any effect on NR. Altogether, the results clearly indicate that NR-specific inhibitors could become more promising in killing the bacilli at anaerobic stage than the available conventional drugs. (c) 2006 Elsevier Ltd. All rights reserved.

10aMycobacterium smegmatis10anitrate reductase10aWayne model1 aKhan, Arshad1 aSarkar, Dhiman uhttps://library.ncl.res.in/content/identification-respiratory-type-nitrate-reductase-and-its-role-survival-mycobacterium-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-000757nas a2200181 4500008004100000022001400041245011100055210006900166260010300235300000800338490000600346100002500352700001800377700002300395700001500418700001200433856013000445 2006 eng d a1535-947600aIntact cell MALDI mass spectrometry as a tool to screen drugs in vivo for regulation of protein expression0 aIntact cell MALDI mass spectrometry as a tool to screen drugs in a9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3996 USAbAMER SOC BIOCHEMISTRY MOLECULAR BIOLOGY INCcOCT aS620 v51 aKulkarni, Mahesh, J.1 aVinod, V., P.1 aUmashankar, P., K.1 aPatole, M.1 aRao, M. uhttps://library.ncl.res.in/content/intact-cell-maldi-mass-spectrometry-tool-screen-drugs-vivo-regulation-protein-expression-001276nas a2200169 4500008004100000022001400041245014400055210006900199260012500268300002300393490000800416520050200424100002100926700001800947700001600965856012500981 2006 eng d a0021-960600aInteraction induced shifts in O-H stretching frequency of water in halide-ion water clusters: a microscopic approach with a bond descriptor0 aInteraction induced shifts in OH stretching frequency of water i aCIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USAbAMER INST PHYSICScDEC aArticle No. 2143040 v1253 a

Based on conceptual density functional theory, two new descriptors, the normalized atom-condensed Fukui functions (NFFs) and bond deformation kernel (BDK), are proposed to describe the O-H stretching frequency shifts in water halide-ion clusters by including local polarizations in the system. NFF, along with BDK, can be successfully used to describe interactions between different atoms, especially in cases where polarizations are quite important. (c) 2006 American Institute of Physics.

1 aTanwar, Akhilesh1 aBagchi, Biman1 aPal, Sourav uhttps://library.ncl.res.in/content/interaction-induced-shifts-o-h-stretching-frequency-water-halide-ion-water-clusters-101368nas a2200241 4500008004100000022001400041245012700055210006900182260007500251300001400326520046700340653001800807653001300825653002100838653001700859653001400876653001800890100002400908700002500932700002500957700002600982856011801008 2006 eng d a0039-788100aIonic liquid promoted facile one-pot synthesis of 1-pyridylimidazo[1,5-a]pyridines from dipyridylketone and aryl aldehydes0 aIonic liquid promoted facile onepot synthesis of 1pyridylimidazo aRUDIGERSTR 14, D-70469 STUTTGART, GERMANYbGEORG THIEME VERLAG KGcSEP a2849-28543 a

A highly efficient one-pot methodology has been developed to synthesize a class of substituted 1-pyridylimidazo[ 1,5-a]pyridines, using Bronsted acidic ionic liquid 1-butylimidazolium tetrafluoroborate, [Hbim]BF4 in excellent isolated yields in the absence of any catalyst. The methodology is characterized by simple work-up procedures along with efficient recovery and recycling of the ionic liquid, which acts as a reaction medium as well as a promoter.

10a5-a]pyridines10aAldehyde10aammonium acetate10aheterocycles10aimidazo[110aionic liquids1 aSiddiqui, Shafi, A.1 aPotewar, Taterao, M.1 aLahoti, Rajgopal, J.1 aSrinivasan, Kumar, V. uhttps://library.ncl.res.in/content/ionic-liquid-promoted-facile-one-pot-synthesis-1-pyridylimidazo15-apyridines-102409nas a2200289 4500008004100000022001400041245009300055210006900148260009200217300001200309490000800321520145200329653001801781653001501799653000801814653000901822653001401831653000801845653001601853653000801869100003001877700002001907700002201927700002001949700002601969856012401995 2006 eng d a1042-015000aIrradiation effects of 12 eV oxygen ions on polyimide and fluorinated ethylene propylene0 aIrradiation effects of 12 eV oxygen ions on polyimide and fluori a4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLANDbTAYLOR & FRANCIS LTDcAUG a495-5040 v1613 a

Polyimide (PI) and Fluorinated Ethylene Propylene (FEP) samples (15mm x 15mm x 50 mu m ) were exposed to atomic oxygen ions of average energy similar to 12 eV and flux similar to 5x10(13) ions cm(-2) s(-1) , produced in the Electron Cyclotron Resonance (ECR) plasma. The energy and the flux of the oxygen ions at different positions in the plasma were measured by a retarding field analyzer. The fluence of the oxygen ions was varied from sample to sample in the range of similar to 5x10(16) to 2x10(17) ions cm(-2) by changing the irradiation period. The pre- and the post-irradiated samples were characterized by the weight loss, Scanning Electron Microscopy (SEM), X-ray Photoelectron Spectroscopy (XPS), and Fourier Transform Infrared (FTIR) techniques. The weight of the PI and FEP samples decreased with increasing the ion fluence. However, the erosion yield for the PI is found to be higher, by almost a factor five, when compared with that of FEP. On the surface region of irradiated samples, the concentrations of the carbon, fluorine, and oxygen and their corresponding chemical bonds have changed appreciably. Moreover, blisters and nanoglobules were also observed even at a fluence of similar to 10(17) ions cm(-2) . This oxygen ion fluence is almost two orders of magnitude lower than that of the 5 eV atomic oxygen, which a satellite encounters in the space, at the low Earth orbit, during its mission period of about 7 years.

10aatomic oxygen10aECR plasma10aFEP10aFTIR10aPolyimide10aSEM10aweight loss10aXPS1 aMajeed, Riyadh, M A Abdul1 aPurohit, V., S.1 aBhoraskar, S., V.1 aMandale, A., B.1 aBhoraskar, Vasant, N. uhttps://library.ncl.res.in/content/irradiation-effects-12-ev-oxygen-ions-polyimide-and-fluorinated-ethylene-propylene-001415nas a2200253 4500008004100000022001400041245006700055210006700122260008900189300001400278490000700292520056400299653002000863653001200883653002700895653001900922100002000941700001800961700001900979700002100998700002201019700002401041856009601065 2006 eng d a0376-469900aIsolation of new straight chain compounds from acacia nilotica0 aIsolation of new straight chain compounds from acacia nilotica aDR K S KRISHNAN MARG, NEW DELHI 110 012, INDIAbNATL INST SCIENCE COMMUNICATIONcMAY a1231-12330 v453 a

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

10aAcacia nilotica10adiester10apentacosane dioic acid10asaponification1 aChaubal, Rohini1 aTambe, Amruta1 aBiswas, Sujata1 aRojatkar, Supada1 aDeshpande, Vishnu1 aDeshpande, Nirinala uhttps://library.ncl.res.in/content/isolation-new-straight-chain-compounds-acacia-nilotica-002072nas a2200265 4500008004100000022001400041245011400055210006900169260011700238300001000355490000600365520106900371653002801440653001501468653003701483653001701520653001401537653001101551100003101562700002401593700002001617700002201637700002301659856012401682 2007 eng d a0973-626300aImmobilization of invertase on functionalized mesoporous silica and properties of the immobilized biocatalyst0 aImmobilization of invertase on functionalized mesoporous silica  aSECTOR A-80, SCHEME NO 54, VIJAY NAGAR, A B ROAD, INDORE, 452 010 MP, INDIAbRESEARCH JOURNAL BIOTECHNOLOGYcFEB a12-170 v23 a

Invertase, which catalyses the hydrolysis of sucrose, is one of the simplest commercial carbohydrases and is used for the production of invert syrup (mixture of glucose and fructose). Fructose is the sweetest natural sugar having beneficial medicinal effects and is emerging as an alternative sweetener to sucrose in the pharmaceutical industry. beta fructofuranosidase (E C 3.2.1.26) purified from Kluyveromyces marxianus NCYC 2675, a thermotolerant yeast, was immobilized on functionalized mesoporous silica SBA- 15. Attempts were made to immobilize invertase on functionalized silicalite and cross linked with glutaraldehyde so as to obtain a highly active and stable immobilized enzyme preparation suitable for commercial exploitation. Cross linked enzyme silica complex as well as enzyme silica complex showed very good temperature and pH stability. Extrudates of the mesoporous silica also showed similar results. Bound enzyme showed excellent stability to repeated use and retained 90% of its initial activity after ten cycles of reuse in batch mode.

10abeta fructofuranosidase10aextrudates10afunctionalized mesoporous silica10aInvert syrup10ainvertase10aSBA-151 aPrabhune, Asmita, Ashutosh1 aSulabha, Karandikar1 aArchana, Pundle1 aShilpa, Deshpande1 aSanjeevani, Pardhy uhttps://library.ncl.res.in/content/immobilization-invertase-functionalized-mesoporous-silica-and-properties-immobilized02151nas a2200265 4500008004100000022001400041245014400055210006900199260007300268300001200341490000700353520114100360653002401501653002601525653002801551653001701579100002801596700002501624700002301649700002401672700002501696700001901721700001701740856012801757 2007 eng d a1381-514800aImmobilization of mushroom polyphenol oxidase on poly(allyl glycidyl ether-co-ethylene glycol dimethacrylate) macroporous beaded copolymers0 aImmobilization of mushroom polyphenol oxidase on polyallyl glyci aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcOCT a905-9150 v673 a

Functional, macroporous, beaded copolymers containing epoxy groups were synthesized for immobilization of polyphenol oxidase (PPO) from edible mushroom (Agaricus bisporus). The effect of incorporation of two different sets of monomers such as glycidyl methacrylate (GMA) and allyl glycidyl ether (AGE) and the effect of cross-linking agent ethylene glycol dimethacrylate (EGDM) with varying cross-link densities on binding and expression of mushroom PPO activity were studied. The effect of porogen viz. cyclohexanol and hexanol on PPO immobilization was studied. AGE copolymers with hexanol as a porogen were found to give higher binding and expression of PPO activity than GE polymers. Crosslinking of amino groups of enzyme with 5% glutaraldehyde for 6 h gave a stable binding of PPO on AGE-75(Hex) polymer with storage half-life of approximately 25 days. Under optimum conditions, AGE-75(Hex) polymer gave 70.3% of activity yield while percent retention of PPO activity was found to be 83.5%. Immobilized PPO showed a broader pH, higher temperature and excellent storage stability. (c) 2007 Elsevier Ltd. All rights reserved.

10across-linking agent10aEnzyme immobilization10aEpoxy-activated support10amushroom PPO1 aVaidya, Bhalchandra, K.1 aKarale, Abhijeet, J.1 aSuthar, Hitesh, K.1 aIngavle, Ganesh, C.1 aPathak, Tara, Sankar1 aPonrathnam, S.1 aNene, Sanjay uhttps://library.ncl.res.in/content/immobilization-mushroom-polyphenol-oxidase-polyallyl-glycidyl-ether-co-ethylene-glycol-001734nas a2200241 4500008004100000020002200041022001400063245006700077210006600144260009900210300001400309490000800323520094300331100001801274700001601292700002101308700002001329700001001349700001201359700001201371700001101383856009801394 2007 eng d a978-0-444-53068-4 a0167-299100aImmobilization of Ntn hydrolases on APTES fuctionalized SBA-150 aImmobilization of Ntn hydrolases on APTES fuctionalized SBA15 aSara Burgerhartstraat 25, Po Box 211, 1000 AE Amsterdam, NetherlandsbElsevier Science BVcAUG a1891-18980 v1703 a

APTES Functionalized mesoporous silica SBA-15 molecular sieves have been prepared and used for immobilization of Penicillin G acylase. Physico chemical characterization was done by nitrogen adsorption, powder XRD and TEM methods to understand the nature of immobilized PGA enzyme. XRD data indicate a good mesoscopic order. The characteristic hexagonal features of SBA-15 were maintained in PGA immobilized SBA-15 samples. Incorporation of PGA does not affect the original pore structure of the parent SBA-15. The adsorption of PGA on SBA-15 from buffered solutions with a pH value, 7.8 has been studied as a model protein adsorption system. The maximum activity of the immobilized enzyme was observed at pH 7.8, slightly below the isoelectric point of the enzyme. The loading capacity of immobilized PGA is 34 mg protein per 0.5 g of SBA-15. The stability of Penicillin G acylase was enhanced by the physical entrapment in SBA-15.

1 aShah, Pallavi1 aSridevi, N.1 aPrabhune, Asmita1 aRamaswamy, Veda1 aXu, R1 aGao, Z.1 aChen, J1 aYan, W uhttps://library.ncl.res.in/content/immobilization-ntn-hydrolases-aptes-fuctionalized-sba-15-002573nas a2200229 4500008004100000022001400041245013200055210006900187260007300256300001400329490000800343520166100351653001502012653002402027653002802051653003902079100002302118700002402141700002902165700001902194856013002213 2007 eng d a0039-602800aImpact of orientational distribution of adsorbing objects on dynamics of Random Sequential Ballistic Adsorption (RSBA) dynamics0 aImpact of orientational distribution of adsorbing objects on dyn aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcNOV a5010-50150 v6013 a

Recently, by proposing a new variant of Random Sequential Adsorption (RSA) namely Random Sequential Ballistic Adsorption (RSBA) model [Pradip B. Shelke, A.G. Banpurkar, S.B. Ogale, A.V. Limaye, Surf. Sci. 601 (2007) 274], we addressed the issue of adsorption dynamics of extended objects where the objects, upon adsorption, protrude outside the substrate. This study brought out the role of the arriving trajectory in the adsorption dynamics. In the present work the possible role of the orientational distribution of the arriving objects in the RSBA dynamics is investigated. The dynamics of RSBA of needles (line segments) is studied analytically and by computer simulation for different types of theta distributions of arriving needles, theta being the angle made by the arriving needle with normal to the substrate. Three types of theta distributions, namely a uniform distribution over the range (0, pi/2), a Gaussian distribution and a distribution uniform over the solid angle, are considered. Analytical treatment establishes that in all the three cases, the number n(t) of adsorbed objects at a late time t follows a power law n(t) similar to t(alpha), and the exponent a depends on the specifics of the theta distribution. In general, for distribution f(theta) proportional to theta(beta), for theta -> 0, alpha is found to be 2/(beta + 3). The simulation results are in excellent agreement with the analytical findings and together they reveal that the orientational distribution of arriving objects has significant consequences for the Random Sequential Ballistic Adsorption (RSBA) process. (C) 2007 Elsevier B.V. All rights reserved.

10aAdsorption10aadsorption kinetics10aMonte Carlo simulations10arandom sequential adsorption (RSA)1 aShelke, Pradip, B.1 aBanpurkar, Arun, G.1 aOgale, Satishchandra, B.1 aLimaye, A., V. uhttps://library.ncl.res.in/content/impact-orientational-distribution-adsorbing-objects-dynamics-random-sequential-ballistic-000800nas a2200205 4500008004100000022001400041245012500055210006900180260006000249300000800309490000700317100002200324700001500346700001800361700002100379700002000400700002100420700002100441856013200462 2007 eng d a0018-819000aImprove polyethylene process control and product quality - using artificial intelligence-based sensors can improve costs0 aImprove polyethylene process control and product quality using a aBOX 2608, HOUSTON, TX 77252-2608 USAbGULF PUBL COcMAR a53+0 v861 aBadhe, Yogesh, P.1 aLonari, J.1 aTambe, S., S.1 aKulkarni, B., D.1 aValecha, N., K.1 aDeshmukh, S., V.1 aRavichandran, S. uhttps://library.ncl.res.in/content/improve-polyethylene-process-control-and-product-quality-using-artificial-intelligence-based01558nas 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-000696nas a2200157 4500008004100000022001400041245010000055210006900155260010200224300001200326490000700338100001700345700003200362700002100394856012300415 2007 eng d a0011-389100aIn vitro clonal propagation of Casuarina equisetifolia forst. from mature tree-derived explants0 aIn vitro clonal propagation of Casuarina equisetifolia forst fro aC V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIAbINDIAN ACAD SCIENCEScFEB a287-2900 v921 aSeth, Rupali1 aKendurkar, Shuchishweta, V.1 aNadgauda, Rajani uhttps://library.ncl.res.in/content/vitro-clonal-propagation-casuarina-equisetifolia-forst-mature-tree-derived-explants00566nas a2200145 4500008004100000245010000041210006900141260000800210300001400218490000600232100001900238700001700257700001700274856012900291 2007 eng d00aInfluence of ancillary binding and nonspecific adsorption on bioresponsive hydrogel microlenses0 aInfluence of ancillary binding and nonspecific adsorption on bio cAPR a1157-11610 v81 aKim, Jongseong1 aSingh, Neetu1 aLyon, Andrew uhttps://library.ncl.res.in/content/influence-ancillary-binding-and-nonspecific-adsorption-bioresponsive-hydrogel-microlenses01694nas a2200169 4500008004100000022001400041245013200055210006900187260007100256300001200327490000800339520098900347100001501336700002801351700001601379856012901395 2007 eng d a1089-563900aInfluence of electric field on the global and local reactivity descriptors: reactivity and stability of weakly bonded complexes0 aInfluence of electric field on the global and local reactivity d a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcJAN a375-3830 v1113 a

The response of the global and local reactivity density-based descriptors (chemical potential, hardness, softness, Fukui function, and local softness) in the presence of external electric field has been studied for some of the simple prototype molecular systems. In addition to the analysis on the reactivity of these systems, the influence of the electric field on the interaction energy of the complexes formed by these systems has also been studied using the recently proposed semiquantitative model based on the local hard-soft acid-base principle. By using the inverse relationship between the global hardness and softness parameters, a simple relationship is obtained for the variation of hardness in terms of the Fukui function under the external electric field. It is shown that the increase in the hardness values for a particular system in the presence of external field does not necessarily imply that the reactivity of the system would be deactivated or vice versa.

1 aKar, Rahul1 aChandrakumar, K., R. S.1 aPal, Sourav uhttps://library.ncl.res.in/content/influence-electric-field-global-and-local-reactivity-descriptors-reactivity-and-stability01805nas 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-002226nas a2200217 4500008004100000022001400041245014600055210006900201260006800270300001400338490000800352520138100360653002601741653001901767653001501786653001401801653002301815100002501838700002301863856012201886 2007 eng d a0021-899500aInfluence of organic modification on mechanical properties of melt processed intercalated poly(methyl methacrylate)-organoclay nanocomposites0 aInfluence of organic modification on mechanical properties of me a111 RIVER ST, HOBOKEN, NJ 07030 USAbJOHN WILEY & SONS INCcSEP a2433-24430 v1053 a

The influence of organic modifiers on intercalation extent, structure, thermal and mechanical properties of poly(methyl methacrylate) (PMMA)-clay nanocomposites were studied. Two different organic modifiers with varying hydrophobicity (single tallow versus ditallow) were investigated. The nanocomposites were prepared from melt processing method and characterized using wide angle X-ray diffraction, transmission electron microscopy, thermogravimetric analysis, differential scanning calorimetry (DSC), and tensile tests. Mechanical properties such as tensile modulus (E), break stress (sigma(brk)), and 0% break strain (epsilon(brk)) were determined for nanocomposites at various clay loadings. Extent of PMMA intercalation is sufficient and in the range 9-15 angstrom depending on organoclay and filler loading. Overall thermal stability of nanocomposites increases by 16-30 degrees C. The enhancement in T-g of nanocomposite is merely by 2-4 degrees C. With increase in clay loading, tensile modulus increases linearly while % break strain decreases. Break stress is found to increase till 4 wt % and further decreases at higher clay loadings. The overall improvement in thermal and mechanical properties was higher for the organoclay containing organic modifier with lower hydrophobicity and single tallow amine chemical structure. (c) 2007 Wiley Periodicals, Inc.

10amechanical properties10aNanocomposites10aorganoclay10astructure10aThermal properties1 aTiwari, Rajkiran, R.1 aNatarajan, Upendra uhttps://library.ncl.res.in/content/influence-organic-modification-mechanical-properties-melt-processed-intercalated-001460nas a2200217 4500008004100000022001400041245004500055210004500100260009900145300001200244490000700256520078700263653002301050653001901073653001801092653000801110100001801118700001901136700001301155856007401168 2007 eng d a0272-884200aInfluence of surfactant on ZnO varistors0 aInfluence of surfactant on ZnO varistors aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLANDbELSEVIER SCI LTDcMAR a289-2910 v333 a

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

10aChemical synthesis10aSemiconductors10aX-ray methods10aZnO1 aDhage, S., R.1 aNavale, S., C.1 aRavi, V. uhttps://library.ncl.res.in/content/influence-surfactant-zno-varistors03077nas a2200181 4500008004100000245008900041210006900130260000800199300001600207490000800223520242800231100002002659700003002679700001902709700003002728700002402758856011302782 2007 eng d00aInteraction of different metal ions with carboxylic acid group: a quantitative study0 aInteraction of different metal ions with carboxylic acid group a cJUN a6183–61900 v1113 a

The binding strength of the carboxylic acid group (-COOH) with different divalent metal ions displays considerable variation in arachidic acid (AA) thin films. It is considered that in AA thin films the metal ions straddle the hydrophilic regions of the stacked bilayers of AA molecules via formation of carboxylates. In this study first the uptake of different divalent cations in films of AA is estimated by atomic absorption spectroscopy (AAS). Through the amount of cation uptake, it is found that the strength of binding of different cations varies as Ca2+ > Co2+ > Pb2+ > Cd2+. Variation in the binding strength of different ions is also manifested in experiments where AA thin films are exposed to metal ion mixtures. The higher binding strength of AA with certain metal ions when exposed individually, as well as the preference over the other metal ions when exposed to mixtures, reveal some interesting deviation from the expected behavior based on considerations of ionic radii. For example, Pb2+ is always found to bind to AA much more strongly than Cd2+ even though the latter has smaller ionic radius, indicating that other factors also play an important role in governing the binding strength trends apart from the effects of ionic radii. Then, to get a more meaningful knowledge regarding the binding capability, first-principles calculations based on density functional theory have been applied to study the interaction of different cations with the simplest carboxylic acid, acetic acid, that can result in formation of metal diacetates. Their electronic and molecular structures, cohesive energies, and stiffness of the local potential energy well at the cation (M) site are determined and attempts are made to understand the diversity in geometry and the properties of binding of different metal ions with -COOH group. We find that the calculated M−O bond energies depend sensitively on the chemistry of M atom and follow the experimentally observed trends quite accurately. The trends in M−O bond energies and hence the total M−acetate binding energy trends can actually be related to their molecular structures that fall into different categories:  Ca and Cd have tetrahedral coordination; Fe, Ni, and Co exhibit planar 4-fold coordination; and Pb is off-centered from the planar structure (forming pyramidal structure) due to its stereochemically active lone pair of electrons.

1 aBala, Tanushree1 aPrasad, Bhagavatula L. V.1 aSastry, Murali1 aKahaly, Mousumi, Upadhyay1 aWaghmare, Umesh, V. uhttps://library.ncl.res.in/content/interaction-different-metal-ions-carboxylic-acid-group-quantitative-study01522nas a2200205 4500008004100000022001400041245009400055210006900149260008100218300001200299490000700311520075400318100001801072700002401090700001601114700002901130700002201159700001901181856011601200 2007 eng d a0022-372700aInterface and defect structures in YBa(2)Cu(3)O(7-delta) and Nb : SrTiO(3) heterojunction0 aInterface and defect structures in YBa2Cu3O7delta and Nb SrTiO3  aTEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLANDbIOP PUBLISHING LTDcJAN a187-1910 v403 a

YBa(2)Cu(3)O(7-delta) thin films grown on a Nb-doped SrTiO(3) substrate by a pulsed laser deposition method have been fully characterized by scanning transmission electron microscopy Z- contrast imaging and electron energy loss spectroscopy techniques. The Nb distribution was found to be uniform and unchanged across the interface, ensuring a high quality p - n junction heterointerface. We first observed the coexistence of 124 and 125 YBCO defect structure phases, appearing as planar defects in a YBCO thin film. Dispersive Y(2)O(3) nanoparticles have also been observed in the thin film. The interaction of these defect structures and Y(2)O(3) nanoparticles is thought to be beneficial for pinning flux through the entire film thickness.

1 aFu, Lian-feng1 aBrowning, Nigel, D.1 aRamadan, W.1 aOgale, Satishchandra, B.1 aKundaliya, D., C.1 aVenkatesan, T. uhttps://library.ncl.res.in/content/interface-and-defect-structures-yba2cu3o7-delta-and-nb-srtio3-heterojunction00850nas a2200241 4500008004100000022001400041245008700055210006900142260009500211300001200306490000800318653002900326653000900355653001000364653003000374653001100404653000800415100002200423700001500445700001900460700001900479856011000498 2007 eng d a0021-979700aInterfacial deposition of Ag on Au seeds leading to AucoreAgshell in organic media0 aInterfacial deposition of Ag on Au seeds leading to AucoreAgshel a525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USAbACADEMIC PRESS INC ELSEVIER SCIENCEcAUG a498-5050 v31210acore-shell nanoparticles10aGold10aHRTEM10ainterfacial seeded growth10aSilver10aXPS1 aChandran, Prathap1 aGhatak, J.1 aSatyam, P., V.1 aSastry, Murall uhttps://library.ncl.res.in/content/interfacial-deposition-ag-au-seeds-leading-aucoreagshell-organic-media02132nas a2200253 4500008004100000022001400041245017900055210006900234260007300303300001400376490000800390520117100398653000801569653001301577653001501590653001801605653002201623653000801645100002101653700002701674700002401701700002501725856012801750 2007 eng d a0927-775700aInvestigating organization of molecules that facilitates intermolecular acyl transfer in crystals: reactivity and x-ray structures of O-benzoyl-myo-inositol 1,3,5-orthoesters0 aInvestigating organization of molecules that facilitates intermo aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcFEB a1153-11590 v2933 a

{Crystal structure analysis of racemic 2,6-di-O-benzoyl-myo-inositol 1,3,5-orthobenzoate reveals helical organization of the molecules, remarkably similar to that observed earlier in crystals of racemic 2,6-di-O-benzoyl-myo-inositol 1,3,5-orthoformate. Both these dibenzoates are isostructural despite the bulkier phenyl substituent in place of hydrogen. The latter compound shows highly facile intermolecular benzoyl transfer reactivity in its crystals and as anticipated from the crystal structure, the orthobenzoate indeed exhibits facile benzoyl transfer reactivity in its crystals. 2-O-Benzoyl-myo-inositol 1,3,5-orthoformate and the corresponding orthobenzoate also undergo transesterification in their crystals, but the specificity of acyl transfer is very low, and the reaction yields a mixture of products. The parameters of helical molecular assembly that facilitates acyl transfer in crystals have been investigated. A comparison of the molecular assemblies and lattice interactions in crystals of all the four compounds with the observed reactivity patterns show that facile acyl transfer reaction is brought about by a modular ``reaction tunnel''

10aAOT10aCdS-Ag2S10acore-shell10aNanoparticles10aw/o microemulsion10aXPS1 aMurali, Chebrolu1 aShashidhar, Mysore, S.1 aGonnade, Rajesh, G.1 aBhadbhade, Mohan, M. uhttps://library.ncl.res.in/content/investigating-organization-molecules-facilitates-intermolecular-acyl-transfer-crystals-000934nas a2200157 4500008004100000022001400041245013800055210006900193260007100262300001400333490000700347520025200354100001600606700002200622856013200644 2007 eng d a0022-326300aIonic liquids as powerful solvent media for improving catalytic performance of silyl borate catalyst to promote Diels-Alder reactions0 aIonic liquids as powerful solvent media for improving catalytic  a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcOCT a8111-81140 v723 a

[GRAPHICS] Use of the acidic chloroaluminate ionic liquid, including the recycled ones, can improve the catalytic activity of the toluene-coordinated silyl borate in enhancing rates, stereoselectivities, and yields of Diels-Alder reactions.

1 aKumar, Anil1 aPawar, Sanjay, S. uhttps://library.ncl.res.in/content/ionic-liquids-powerful-solvent-media-improving-catalytic-performance-silyl-borate-catalyst-001408nas a2200205 4500008004100000022001400041245010600055210006900161260007500230300001400305490000700319520059300326653002200919653002200941653002500963653003700988653003001025100001601055856013101071 2007 eng d a0095-978200aIsopiestic osmotic coefficients of tetra-n-methylammonium chloride with guanidinium salts at 298.15 k0 aIsopiestic osmotic coefficients of tetranmethylammonium chloride a233 SPRING ST, NEW YORK, NY 10013 USAbSPRINGER/PLENUM PUBLISHERScDEC a1569-15840 v363 a

Isopiestic osmotic coefficients are presented for aqueous mixtures of tetra-n-methylammonium chloride, (CH3)(4)NCl, with guanidinium salts such as GnCl, CH(3)COOGn, GnNO(3), GnClO(4) and Gn(2)SO(4) at 298.15 K up to an ionic strength of 2 mol center dot kg(-1). The osmotic coefficients are analyzed in terms of the Scatchard-Rush-Johnson equations. The activity coefficients of each electrolyte in the mixtures were calculated and fitted by the Harned-type equations. The molar excess Gibbs energy of mixing, Delta(m) G(E), of the mixtures were analyzed with Friedman's equations.

10aaqueous solutions10aisopiestic method10aOsmotic coefficients10aScatchard-Rush-Johnson equations10atetramethylammonium salts1 aKumar, Anil uhttps://library.ncl.res.in/content/isopiestic-osmotic-coefficients-tetra-n-methylammonium-chloride-guanidinium-salts-29815-k-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-000554nas a2200145 4500008004100000245009000041210006900131260000800200300001000208490000600218100002300224700002100247700002500268856011500293 2008 eng d00aIdentification of ripening specific proteins in tomato by intact tissue MALDI-TOF-MS.0 aIdentification of ripening specific proteins in tomato by intact cJAN a10-130 v31 aKorwar, Arvind, M.1 aSanthakumari, B.1 aKulkarni, Mahesh, J. uhttps://library.ncl.res.in/content/identification-ripening-specific-proteins-tomato-intact-tissue-maldi-tof-ms02686nas 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-002175nas a2200253 4500008004100000022001400041245011500055210006900170260008000239300001400319490000800333520125000341653002001591653002101611653001901632653000901651653002601660653001201686100002501698700001801723700001901741700003001760856013101790 2008 eng d a1618-264200aImaging the stomatal physiology of somatic embryo-derived peanut leaves by scanning electrochemical microscopy0 aImaging the stomatal physiology of somatic embryoderived peanut  aTIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANYbSPRINGER HEIDELBERGcJUL a2227-22330 v3913 a

The stomatal physiology, chlorophyll distribution and photosynthetic activity of somatic embryo (SE)- and seedling-derived peanut plants grown in vitro (test tube-grown) and extra vitrum (soil-grown) are investigated using scanning electrochemical microscopy (SECM). This SECM imaging is performed in two different feedback modes, corresponding to oxygen evolution and chlorophyll distribution. More specifically, the oxygen evolution profiles of the in vitro leaves indicate important differences in leaf anatomy between the SE- and seedling-derived leaves. On the other hand, the chlorophyll distribution images show individual stomata of size ca. 27 +/- 5 mu m. Further studies on senescing (aged) leaves reveal interesting voltammograms that vary widely over the stomatal complexes and the surrounding tissues, probably due to the release of electroactive metabolites during chlorophyll breakdown when the leaves turn yellow. Thus, the present investigation could open up new opportunities for characterizing botanical systems using electroanalytical techniques. In addition, it could provide further insights into various areas of current relevance, including signal transduction, cell fate/differentiation and developmental biology.

10aleaf senescence10aoxygen evolution10aphotosynthesis10aSECM10asomatic embryogenesis10astomata1 aParthasarathy, Meera1 aSingh, Shweta1 aHazra, Sulekha1 aPillai, Vijayamohanan, K. uhttps://library.ncl.res.in/content/imaging-stomatal-physiology-somatic-embryo-derived-peanut-leaves-scanning-electrochemical-001845nas a2200229 4500008004100000022001400041245013700055210006900192260009900261300001400360490000700374520092000381653002601301653002601327653002801353100002801381700002401409700001901433700002101452700002101473856012101494 2008 eng d a0960-852400aImmobilization of Candida rugosa lipase on poly(allyl glycidyl ether-co-thylene glycol dimethacrylate) macroporous polymer particles0 aImmobilization of Candida rugosa lipase on polyallyl glycidyl et aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLANDbELSEVIER SCI LTDcJUN a3623-36290 v993 a

Macroporous polymer particles containing surface epoxy groups were synthesized for immobilization of Candida rugosa lipase (CRL). The effect of incorporation of two different sets of monomers [allyl glycidyl ether (AGE) and glycidyl methacrylate (GMA)] and the effect of crosslinking density on immobilization of lipase were studied. AGE-co-EGDM polymers gave higher binding and expression of lipase than GMA-co-EGDM polymers. Optimization of immobilization parameters was done with respect to immobilization time and enzyme loading. Amongst AGE-co-EGDM polymer series, AGE-150 polymer found to give maximum lipase activity yield and therefore evaluated for temperature, pH and storage stability. Under optimum conditions, AGE-150 polymer gave 78.40% of activity yield. Immobilized lipase on AGE-150 showed a broader pH, higher temperature and excellent storage stability. (C) 2007 Published by Elsevier Ltd.

10aCandida rugosa lipase10aEnzyme immobilization10aEpoxy-activated support1 aVaidya, Bhalchandra, K.1 aIngavle, Ganesh, C.1 aPonrathnam, S.1 aKulkarni, B., D.1 aNene, Sanjay, N. uhttps://library.ncl.res.in/content/immobilization-candida-rugosa-lipase-polyallyl-glycidyl-ether-co-thylene-glycol-001521nas a2200217 4500008004100000022001400041245008500055210006900140260011700209300001000326490000600336520066800342653004301010653001901053653002501072653003501097100001601132700001801148700002101166856011601187 2008 eng d a0973-626300aImmobilization of penicillin G acylase on amino functionalized mesoporous silica0 aImmobilization of penicillin G acylase on amino functionalized m aSECTOR A-80, SCHEME NO 54, VIJAY NAGAR, A B ROAD, INDORE, 452 010 MP, INDIAbRESEARCH JOURNAL BIOTECHNOLOGYcNOV a18-210 v33 a

Penicillin G acylase was immobilized on Amino functionalized mesoporous silica by adsorption method. In this paper we present the effect of penicillin G acylase immobilization on amino-functionalized mesoporous silica and the effect of silica as host matrix on enzyme kinetics. The loading capacity of immobilized Penicillin G acylase is 34 mg protein per 0.5 g of SBA-15. About 65% of the protein was adsorbed on mesoporous silica. The stability of penicillin acylase was enhanced after immobilization on mesoporous silica. The adsorbed enzyme is more stable than the soluble form, both to temperature and pH environments and retained 73% of its activity.

10aAmino functionalized mesoporous silica10aImmobilization10aPenicillin G acylase10apH and temperature stabilities1 aSridevi, N.1 aPallavi, Shah1 aAsmita, Prabhune uhttps://library.ncl.res.in/content/immobilization-penicillin-g-acylase-amino-functionalized-mesoporous-silica-000600nas a2200133 4500008004100000022001400041245008000055210006900135260011900204300001200323490000700335100002100342856010300363 2008 eng d a0030-494800aImproved procedure for the synthesis of (2R)-N-propenoylbornane-2,10-sultam0 aImproved procedure for the synthesis of 2RNpropenoylbornane210su a4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXFORDSHIRE, ENGLANDbROUTLEDGE JOURNALS, TAYLOR & FRANCIS LTDcAPR a209-2130 v401 aLaha, Joydev, K. uhttps://library.ncl.res.in/content/improved-procedure-synthesis-2r-n-propenoylbornane-210-sultam-001665nas a2200205 4500008004100000022001400041245009800055210006900153260009500222300001000317490000700327520087700334653002601211653001101237653000801248100002101256700003201277700002301309856012701332 2008 eng d a0926-204000aImproved pulse schemes for separated local field spectroscopy for static and spinning samples0 aImproved pulse schemes for separated local field spectroscopy fo a525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USAbACADEMIC PRESS INC ELSEVIER SCIENCEcMAR a57-630 v333 a

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

10amagic sandwich pulses10aPISEMA10aSLF1 aDas, Bibhuti, B.1 aAjithkumar, Thalasseril, G.1 aRamanathan, K., V. uhttps://library.ncl.res.in/content/improved-pulse-schemes-separated-local-field-spectroscopy-static-and-spinning-samples-001413nas a2200253 4500008004100000022001400041245015500055210006900210260010200279300001200381490000800393520040600401653002900807653002600836653002500862653001700887100002000904700001400924700002100938700001900959700002100978700003000999856013001029 2008 eng d a0974-362600aIn situ synthesis of ligand reduced/capped silver nanoparticles and the effect of temperature and ligand structure on the size of silver nanoparticles0 aIn situ synthesis of ligand reducedcapped silver nanoparticles a aC V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIAbINDIAN ACAD SCIENCEScJAN a515-5200 v1203 a

We report in situ synthesis of silver nanoparticles using biosurfactants called sophorolipids as reducing and capping agents. We further study the effect of temperature and the structure of sophorolipid on the size of silver nanoparticles obtained. The silver nanoparticles were characterized by UV-visible, transmission electron microscope (TEM) and light scattering (DLS) analysis techniques.

10adynamic light scattering10aNucleation and growth10asilver nanoparticles10aSophorolipid1 aKasture, M., B.1 aPatel, P.1 aPrabhune, Asmita1 aRamana, C., V.1 aKulkarni, A., A.1 aPrasad, Bhagavatula L. V. uhttps://library.ncl.res.in/content/situ-synthesis-ligand-reducedcapped-silver-nanoparticles-and-effect-temperature-and-ligand01512nas a2200181 4500008004100000022001400041245014700055210006900202260011000271300001400381490000700395520072000402100002201122700002501144700001701169700001801186856012601204 2008 eng d a0959-942800aIn situ synthesis of Pt nanoparticles in SBA-15 by encapsulating in modified template micelles: size restricted growth within the mesochannels0 aIn situ synthesis of Pt nanoparticles in SBA15 by encapsulating  aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcFEB a1765-17700 v183 a

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

1 aPrashar, Atul, K.1 aHodgkins, Robert, P.1 aKumar, Rajiv1 aDevi, Nandini uhttps://library.ncl.res.in/content/situ-synthesis-pt-nanoparticles-sba-15-encapsulating-modified-template-micelles-size-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-002042nas a2200229 4500008004100000022001400041245016000055210006900215260009700284300001000381490000800391520111700399653002501516653001701541653001801558653002201576100002601598700002201624700002301646700001601669856012701685 2008 eng d a0944-501300aInactivation of polygalacturonase and pectate lyase produced by pH tolerant fungus Fusarium moniliforme NCIM 1276 in a liquid medium and in the host tissue0 aInactivation of polygalacturonase and pectate lyase produced by  aOFFICE JENA, P O BOX 100537, 07705 JENA, GERMANYbELSEVIER GMBH, URBAN & FISCHER VERLAGcJAN a51-620 v1633 a

Fusarium moniliforme NCIM 1276 produced pH dependent an extracellular potygalacturonase (PG) and pectate lyase (PL) at pH 5 and pH 8, respectively. In the extracellular medium about 20.3% PG and 54% of PL protein concentrations were present in the active state at pH 5 and pH 8, respectively, whereas in intracelluarly, more than 86% of both protein contents remained in the active state at all pH tested. We found two possible reasons, end-product inhibition and effect of environmental. pH on conformation of the proteins after their release into the medium. Additionally, in infected tomato and cauliflower plants, the fungus secreted similar proteins which were located near to the epidermal and vascular regions of the hypocotyts. In infected tissues, between 26.9% and to 41.5% of PG and only 0.84% - 13.4% of PL protein concentrations were present in active state. Thus, the medium/cell sap pH and concentrations of substrate/end products seem to play an important role in fungal invasion during plant pathogenesis are discussed with current literature. (c) 2006 Elsevier GmbH. All rights reserved.

10aFusarium moniliforme10apathogenesis10apectate lyase10apolygatacturonase1 aNiture, Suryakant, K.1 aKumar, Ameeta, R.1 aParab, Pradeep, B.1 aPant, Aditi uhttps://library.ncl.res.in/content/inactivation-polygalacturonase-and-pectate-lyase-produced-ph-tolerant-fungus-fusarium-001726nas a2200229 4500008004100000022001400041245009900055210006900154260007300223300001200296490000800308520090000316653001301216653002101229653001401250653002001264653001301284100002001297700002501317700002901342856012501371 2008 eng d a1387-181100aIncorporation of zirconium in medium-pore aluminophosphate molecular sieves with AEL framework0 aIncorporation of zirconium in mediumpore aluminophosphate molecu aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcFEB a223-2290 v1083 a

Zirconium incorporated alurninophosphate molecular sieves ZrAPO-11 was synthesized by hydrothermal method. The samples were characterized by X-ray diffraction (XRD), scanning electron microscopy, thermogravimetric/differential thermal analysis (TGA/DTA), diffuse reflectance UV-visible spectroscopy, magic-angle spinning nuclear magnetic resonance (MAS NMR) spectroscopy (P-31 and Al-27). The acidity of the materials were determined by temperature programmed desorption (TPD) of ammonia. X-ray diffraction and scanning electron microscopy reveals formation of crystalline material in pure phase. Thermal analysis shows higher template content in zirconium containing samples than the corresponding AlPOs. MAS NMR suggests incorporation of zirconium in the framework. TPD reveals that the ZrAPO-11 samples were of higher acidity than AIPO(4)-11 (c) 2007 Elsevier Inc. All rights reserved.

10aAlPO4-1110aAluminophosphate10acatalysis10aMolecular sieve10aZrAPO-111 aGanguli, J., N.1 aChakrabortty, Dhruba1 aSatyanarayana, C., V. V. uhttps://library.ncl.res.in/content/incorporation-zirconium-medium-pore-aluminophosphate-molecular-sieves-ael-framework-002475nas a2200217 4500008004100000022001400041245014400055210006900199260007300268300001200341490000700353520155500360653003701915653004001952653003501992653003402027100001702061700002502078700002602103856012802129 2008 eng d a1003-995300aInfluence of alkali metal doping on surface properties and catalytic activity/selectivity of CaO catalysts in oxidative coupling of methane0 aInfluence of alkali metal doping on surface properties and catal aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcDEC a313-3200 v173 a

Surface properties viz. surface area, basicity/base strength distribution, and crystal phases) of alkali metal doped CaO (alkali metal/Ca = 0.1 and 0.4) catalysts and their catalytic activity/selectivity ill oxidative coupling of methane (OCM) to higher hydrocarbons at different reaction conditions (viz. temperature. 700 and 750 degrees C: CH(4)/O(2) ratio. 4.0 and 8.0 and space velocity. 5140-20550 cm(3). g(-1).h(-1)) have been investigated. The influence of catalyst calcination temperature on the activity/selectivity has also been investigated. The surface properties (viz. surface area, basicity/base strength distribution) and catalytic activity/selectivity of the alkali metal doped CaO Catalysts are strongly influenced by the alkali metal promoter and its concentration in the alkali metal doped CaO catalysts. An addition of alkali Metal promoter to CaO results in a large decrease in the surface area but a large increase in the surface basicity (strong basic sites) and the C(2+) Selectivity and yield of the catalysts in the OCM process. The activity and selectivity are strongly influenced by the catalyst calcination temperature. No direct relationship between surface basicity and catalytic activity/selectivity has been observed. Among the alkali metal doped CaO catalysts. Na-CaO (Na/Ca = 0.1. before calcination) catalyst (calcined at 750 degrees C), showed best performance (C(2+) selectivity of 68.8% with 24.7% methane conversion), whereas (lie poorest performance was shown by the Rb-Cao Catalyst in the OCM process.

10aalkali metal doped CaO catalysts10abasicity/base strength distribution10acatalytic activity/selectivity10aoxidative coupling of methane1 aRane, V., H.1 aChaudhari, Sopan, T.1 aChoudhary, Vasant, R. uhttps://library.ncl.res.in/content/influence-alkali-metal-doping-surface-properties-and-catalytic-activityselectivity-cao-001424nas a2200229 4500008004100000022001400041245017900055210006900234260010600303300001200409490000700421520049700428653002300925653002300948653001500971653001400986653001501000100001901015700001701034700002401051856011901075 2008 eng d a0040-402000aInfluence of electronic factors on palladium-mediated cycloisomerization: a systematic investigation of competitive 5-exo-dig versus 6-endo-dig cyclizations of sugar alkynols0 aInfluence of electronic factors on palladiummediated cycloisomer aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcJAN a219-2330 v643 a

Pd-mediated cycloisomerization of 3-C-alkynyl-allo- and ribofuranose derivatives was investigated in detail to understand the influence of electronic factors on the regioselectivity in ring closure reaction. The reactions in general are influenced by the electronic nature of the substituent on the alkyne unit. A preference for endo-dig cyclization over exo-dig is noted, if the alkynyl substituent is not sufficiently electron withdrawing, (c) 2007 Elsevier Ltd. All rights reserved.

10aC-alkynyl furanose10acycloisomerization10aenol ether10aPalladium10aSpiroketal1 aRamana, C., V.1 aMallik, Rosy1 aGonnade, Rajesh, G. uhttps://library.ncl.res.in/content/influence-electronic-factors-palladium-mediated-cycloisomerization-systematic-001863nas a2200217 4500008004100000022001400041245006600055210006600121260006900187300001200256490000800268520113400276653001501410653001601425653002101441653001401462100002801476700002501504700002201529856009401551 2008 eng d a0925-400500aInfluence of Pd doping on morphology and LPG response of SnO20 aInfluence of Pd doping on morphology and LPG response of SnO2 aPO BOX 564, 1001 LAUSANNE, SWITZERLANDbELSEVIER SCIENCE SAcMAY a665-6720 v1313 a

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

10aLPG sensor10ananospheres10apalladium doping10atin oxide1 aVaishampayan, Mukta, V.1 aDeshmukh, Rupali, G.1 aMulla, Imtiaz, S. uhttps://library.ncl.res.in/content/influence-pd-doping-morphology-and-lpg-response-sno2-002337nas a2200253 4500008004100000022001400041245014600055210006900201260009400270300001400364490000600378520134000384653002401724653002201748653001201770653002401782653002801806653002701834100002401861700001601885700002501901700002601926856013101952 2008 eng d a1684-531500aInfluence of pretreatment of agriculture residues on phytase production by aspergillus niger NCIM 563 under submerged fermentation conditions0 aInfluence of pretreatment of agriculture residues on phytase pro aP O BOX 5170-00200 NAIROBI, VICTORIA ISLAND, LAGOS 73023, NIGERIAbACADEMIC JOURNALScAPR a1101-11060 v73 a

The extracellular phytase production by Aspergillus niger NCIM 563 was evaluated in medium containing various agriculture residues under submerged fermentation conditions. Phytase production was affected by inorganic phosphate content of agriculture residues which ranged from 2.8 to 8 mg/g. The agriculture residues containing less than 4 mg/g inorganic phosphate supported phytase production with maximum activity of 68 IU/ml in medium containing 1% rice bran on 11(th) day of fermentation. Addition of glucose up to 5% in fermentation medium containing 1% rice bran, enhanced phytase production. Pretreatment of agriculture residues with water to remove excess inorganic phosphate has significantly enhanced the phytase activity in case of de-oiled rice bran, wheat bran, peanut cake (low and high oil) and coconut cake. Maximum increase of 20.3 times in phytase activity was observed in case of wheat bran as compared to de-oiled rice bran, coconut cake, peanut cake high and low oil in which the increase in phytase activity was 6.85, 6.1, 5.3 and 3.0 times, respectively. Maximum phytase activity of 68 IU/ml was produced on the 11(th) day of fermentation compared to earlier reported 41.47 IU/ml phytase activity on the 15(th) day of submerged fermentation using 5% dextrin and 2.5% glucose, thus increasing productivity.

10aAgriculture residue10aAspergillus niger10aPhytase10aphytate degradation10aPoultry feed supplement10aSubmerged fermentation1 aBhavsar, Kavita, P.1 aShah, Parin1 aSoni, Sarvesh, Kumar1 aKhire, Jayant, Malhar uhttps://library.ncl.res.in/content/influence-pretreatment-agriculture-residues-phytase-production-aspergillus-niger-ncim-563-001689nas 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-48-002263nas a2200241 4500008004100000022001400041245022000055210006900275260007300344300001200417490000800429520124100437653002401678653003901702653002201741653002801763653001401791100002001805700002201825700001701847700002801864856012901892 2008 eng d a1387-181100aInorganic-organic hybrid materials based on functionalized silica and carbon: a comprehensive understanding toward the structural property and catalytic activity difference over mesoporous silica and carbon supports0 aInorganicorganic hybrid materials based on functionalized silica aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcNOV a345-3550 v1153 a

Inorganic-organic hybrid materials based on functionalized silica and carbon were synthesized by anchoring molybdovanadophosphoric acid (H-5[PMo10V2O40]center dot 32.5H(2)O) onto amine-functionalized SBA-15, ethane-bridged SBA-15 and mesoporous carbon, respectively. Small angle X-ray diffraction, N-2 sorption analysis, HRTEM, SEM, IFT-IR, CP-MAS NMR were used to diagnose the mesoporous structure of inorganic-organic hybrid materials. The structural integrity of molybdovanadophosphoric acid has been found to be retained after immobilization over mesoporous materials. These inorganic-organic hybrid materials were tested in the environmentally friendly oxidation of 2-methylnaphthalene (2MN) with 30%, aqueous hydrogen peroxide. Molybdovanadophosphoric acid containing mesoporous organosilica hybrid material (ethane-bridged SBA-15) exhibited higher catalytic activities in the oxidation of 2MN to give a clean product 2-methy-1,4-naphthoquinone (menadione vitamin K3 precursor), because of the improved hydrophobicity of the material. The correlation between structural properties and catalytic activities of these hybrid materials has been well addressed in our present studies. (c) 2008 Elsevier Inc. All rights reserved.

10a2-Methylnaphthalene10ainorganic-organic hybrid materials10amesoporous carbon10amesoporous organosilica10aOxidation1 aBordoloi, Ankur1 aMathew, Nevin, T.1 aLefebvre, F.1 aHalligudi, Shivaraj, B. uhttps://library.ncl.res.in/content/inorganic-organic-hybrid-materials-based-functionalized-silica-and-carbon-comprehensive-001712nas a2200229 4500008004100000022001400041245016500055210006900220260010600289300001400395490000700409520079500416653001601211653001301227653001301240653001101253653001801264653001801282100002401300700002701324856013101351 2008 eng d a0040-402000aInositol derived crown ethers: effect of auxiliary protecting groups and the relative orientation of crown ether oxygen atoms on their metal ion binding ability0 aInositol derived crown ethers effect of auxiliary protecting gro aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcFEB a2160-21710 v643 a

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

10acrown ether10aCyclitol10aInositol10aligand10ametal complex10asupramolecule1 aDixit, Shailesh, S.1 aShashidhar, Mysore, S. uhttps://library.ncl.res.in/content/inositol-derived-crown-ethers-effect-auxiliary-protecting-groups-and-relative-orientation-001973nas a2200289 4500008004100000022001400041245012800055210006900183260009500252300001200347490000800359520098400367653002301351653000801374653001701382653002901399653000901428653000901437653001701446653001501463653001401478100001801492700001101510700001901521700001601540856012701556 2008 eng d a0021-979700aInsight into the micellization of dodecyldimethylethylammonium bromide (DDAB) in the presence of bovine serum albumin (BSA)0 aInsight into the micellization of dodecyldimethylethylammonium b a525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USAbACADEMIC PRESS INC ELSEVIER SCIENCEcJUL a426-4340 v3233 a

in this work, we report the effect of concentration of bovine serum albumin (BSA) on the micellization of a cationic surfactant, doclecyldimethylethylammonium bromide (DDAB). Several samples covering a wide range of concentrations of protein and surfactant have been investigated. The interactions between the moieties are investigated by measuring fluorescence quenching of BSA molecules. The aggregation number of DDAB micelles is found to be small in the presence of BSA. The formation of DDAB-BSA complex is confirmed by FTIR. Absorbance spectroscopy indicates that at higher concentration, the conformational stability of BSA in DDAB is higher. The viscosity data for protein-surfactant systems confirm conformational changes in protein chains induced by the surfactant. The cmc values for DDAB increase with increasing concentration of BSA. At higher temperatures the micellization-complexation becomes enthalpy-dominated. (c) 2008 Elsevier Inc. All rights reserved.

10aAggregation number10aBSA10aconductivity10aconformational stability10aDDAB10aFFIR10afluorescence10aUV-visible10aviscosity1 aMehta, S., K.1 aBhawna1 aBhasin, K., K.1 aKumar, Anil uhttps://library.ncl.res.in/content/insight-micellization-dodecyldimethylethylammonium-bromide-ddab-presence-bovine-serum-001941nas a2200241 4500008004100000022001400041245015600055210006900211260007300280300001200353490000700365520100800372653002601380653003301406653002201439653001801461653001701479653001001496100002401506700002901530700001701559856012301576 2008 eng d a1369-703X00aIntegrated process for extraction and purification of alcohol dehydrogenase from Baker's yeast involving precipitation and aqueous two phase extraction0 aIntegrated process for extraction and purification of alcohol de aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcMAR a414-4200 v383 a

The potential of aqueous two phase extraction for the purification of alcohol dehydrogenase (ADH) from Baker's yeast (Saccharomyces cerevisiae) is demonstrated. An integrated process involving precipitation followed by aqueous two phase extraction (ATPE) is used for effective recovery of the enzyme. This is carried out in two schemes. In the first scheme, ammonium sulphate precipitation is carried out followed by ATPE of the precipitate after suspending it in buffer. While the second scheme involves polyethylene glycol precipitation followed by ATPE of the supernatant. The effect of various process parameters such as molecular weight of polymer, tie line length, phase volume ratio and neutral salt is investigated for enhancing the activity recovery of ADH. First scheme resulted in about 85% enzyme activity recovery of ADH with purification factor of 4.2 while the second scheme about 90% enzyme activity recovery with 6.6-fold purification. (C) 2007 Elsevier B.V. All rights reserved.

10aAlcohol dehydrogenase10aaqueous two phase extraction10aenzyme extraction10aPrecipitation10aPurification10aYeast1 aMadhusudhan, M., C.1 aRaghavarao, K., S. M. S.1 aNene, Sanjay uhttps://library.ncl.res.in/content/integrated-process-extraction-and-purification-alcohol-dehydrogenase-bakers-yeast-001747nas a2200169 4500008004100000022001400041245009800055210006900153260007100222300001400293490000700307520107100314100002201385700002601407700001601433856012801449 2008 eng d a0022-326300aIntramolecular Diels-Alder reaction in ionic liquids: effect of ion-specific solvent friction0 aIntramolecular DielsAlder reaction in ionic liquids effect of io a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcNOV a9075-90830 v733 a

The present work aims at understanding the role of viscosity or solvent friction in ionic liquids for an intramolecular Diels-Alder (IMDA) reaction of (E)-1-phenyl-4-[2-(3-methyl-2-butenyloxy)benzylidene]-5-pyrazolone (1). The results have been analyzed on the basis of the current theoretical models, and their failure to account for the observed trends is discussed in terms of ``effective'' viscosity or microviscosity. The rates of the reaction decrease with the increasing viscosity of the ionic liquids. As evident from the anionic effect, the solute-solvent specific interactions play a role in governing the kinetics of the reaction. The lower viscosities of the bistrifluoromethanesulfonimide [NTf(2)](-) based ionic liquids as compared to those based on tetrafluoroborate [BF(4)](-) anion fail to result in a corresponding acceleration in the rates of the reaction. These contradictory results indicate that solvent microviscosity, rather than the bulk macroscopic viscosity, should be the criteria for selecting the ionic liquids as reaction media.

1 aTiwari, Shraeddha1 aKhupse, Nageshwar, D.1 aKumar, Anil uhttps://library.ncl.res.in/content/intramolecular-diels-alder-reaction-ionic-liquids-effect-ion-specific-solvent-friction-001671nas a2200241 4500008004100000022001400041245011000055210006900165260007700234300001400311490000800325520077800333653001601111653002301127653002401150653002001174653002401194100002501218700002201243700001701265700002301282856012401305 2008 eng d a1022-135200aIntrinsic viscosity of aqueous solutions of carboxymethyl guar in the presence and in the absence of salt0 aIntrinsic viscosity of aqueous solutions of carboxymethyl guar i aPO BOX 10 11 61, D-69451 WEINHEIM, GERMANYbWILEY-V C H VERLAG GMBHcOCT a2087-20930 v2093 a

Intrinsic viscosities were determined for solutions of CMG in pure water and 0.9 wt.-% aqueous NaCl. To avoid the 0/0-type extrapolation typical for Huggins plots, a new procedure was used. For CMG and pure water, this requires only two adjustable parameters: the specific hydrodynamic volume of the polymer in the limit of infinite dilution and a hydrodynamic interaction parameter. The intrinsic viscosity of CMG (no salt) at room temperature is 6 050 mL . g(-1); approximately half as large as that of Na-PSS of comparable molar mass. The ratio of the intrinsic viscosities with and without salt is approximate to 7 for CMG, as compared to >100 for Na-PSS. The reasons 1:5 5 for the different behaviors of the two types of polyelectrolytes are being discussed.

10aBiopolymers10aCarboxymethyl guar10aintrinsic viscosity10apolyelectrolyte10asalt-free solutions1 aBadiger, Manohar, V.1 aGupta, Nivika, R.1 aEckelt, John1 aWolf, Bernhard, A. uhttps://library.ncl.res.in/content/intrinsic-viscosity-aqueous-solutions-carboxymethyl-guar-presence-and-absence-salt-001428nas a2200205 4500008004100000245008900041210006900130260000800199300001000207490000700217520073100224100002600955700002600981700002101007700002301028700002101051700001701072700001901089856011401108 2008 eng d00aIntroduction to the density matrix renormalization group ansatz in quantum chemistry0 aIntroduction to the density matrix renormalization group ansatz  cJAN a49-650 v183 aThe Density Matrix Renormalisation Group (DMRG) is an electronic structure method that has recently been applied to ab-initio quantum chemistry. Even at this early stage, it has enabled the solution of many problems that would previously have been intractable with any other method, in particular, multireference problems with very large active spaces. Historically, the DMRG was not originally formulated from a wavefunction perspective, but rather in a Renormalisation Group (RG) language. However, it is now realised that a wavefunction view of the DMRG provides a more convenient, and in some cases more powerful, paradigm. Here we provide an expository introduction to the DMRG ansatz in the context of quantum chemistry.1 aChan, Garnet, Kin-Lic1 aDorando, Jonathan, J.1 aGhosh, Debashree1 aHachmann, Johannes1 aNeuscamman, Eric1 aWang, Haitao1 aYanai, Takeshi uhttps://library.ncl.res.in/content/introduction-density-matrix-renormalization-group-ansatz-quantum-chemistry02611nas a2200253 4500008004100000022001400041245019100055210006900246260013700315300001200452490000700464520149700471653002201968653003001990653002102020653004202041653001202083653003102095100002602126700002102152700002802173700003002201856012602231 2008 eng d a0956-566300aInvertase inhibition based electrochemical sensor for the detection of heavy metal ions in aqueous system: application of ultra-microlelectrode to enhance sucrose biosensor's sensitivity0 aInvertase inhibition based electrochemical sensor for the detect aOXFORD FULFILLMENT CENTRE THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLANDbELSEVIER ADVANCED TECHNOLOGYcDEC a657-6640 v243 a

We are reporting fabrication and characterization of electrochemical sucrose biosensor using ultra-microelectrode (UME) for the detection of heavy metal ions (Hg(II), Ag(I), Pb(II) and Cd(II)). The working UME, with 25 mu m diameter, was modified with invertase (INV, EC: 3.2.1.26) and glucose oxidase (GOD, EC: 1.1.3.4) entrapped in agarose-guar gum. The hydrophilic character of the agarose-guar gum composite matrix was checked by water contact angle measurement. The atomic force microscopy (AFM) images of the membranes showed proper confinement of both the enzymes during co-immobilization. The dynamic range for sucrose biosensor was achieved in the range of 1 x 10(-10) to 1 x 10(-7) M with lower detection limit 1 x 10(-10) M at pH 5.5 with 9 cycles of reuse. The spectrophotometric and electrochemical studies showed linear relationship between concentration of heavy metal ions and degree of inhibition of invertase. The toxicity sequence for invertase using both methods was observed as Hg(2+) > Pb(2+) > Ag(+) > Cd(2+). The dynamic linear range for mercury using electrochemical biosensor was observed in the range of 5 x 10(-10) to 12.5 x 10(-10) M for sucrose. The lower detection limit for the fabricated biosensor was found to be 5 x 10(-10) M. The reliability of the electrochemical biosensor was conformed by testing the spike samples and the results were comparable with the conventional photometric DNSA method. (C) 2008 Elsevier B.V. All rights reserved.

10aCo-immobilization10aElectrochemical biosensor10aHeavy metal ions10aInvertase (INV)-glucose oxidase (GOD)10aMercury10aUltra-microelectrode (UME)1 aBagal-Kestwal, Dipali1 aKarve, Meena, S.1 aKakade, Bhalchandra, A.1 aPillai, Vijayamohanan, K. uhttps://library.ncl.res.in/content/invertase-inhibition-based-electrochemical-sensor-detection-heavy-metal-ions-aqueous-001523nas a2200205 4500008004100000022001400041245007500055210006900130260011300199300001400312490000700326520075800333653002201091653002301113653002101136653002001157653001901177100001601196856010501212 2008 eng d a0033-454500aIonic interactions in aqueous mixtures of hydrophilic and -phobic ions0 aIonic interactions in aqueous mixtures of hydrophilic and phobic a104 TW ALEXANDER DR, PO BOX 13757, RES TRIANGLE PK, NC 27709-3757 USAbINT UNION PURE APPLIED CHEMISTRYcJUN a1267-12790 v803 a

Ions of both hydrophilic and -phobic nature play a pivotal role in biological systems and during synthesis of many organic molecules. However, the interaction of a hydrophilic ion with a hydrophobic one is not a simple physical process and is useful in understanding the rate enhancement in organic transformations and thermal stability of DNA and RNA. During the talk, an attempt was made to present some of the experimental work on aqueous mixtures of these ions carried out at National Chemical Laboratory, Pune, and give a theoretical interpretation of the binary, ternary, and quaternary interactions operating in these systems. The contribution of these interaction terms to the excess free energy of mixing, Delta(m)G(E), will be analyzed.

10aaqueous solutions10aexcess free energy10ahydrophobic ions10aionic solutions10amixing effects1 aKumar, Anil uhttps://library.ncl.res.in/content/ionic-interactions-aqueous-mixtures-hydrophilic-and-phobic-ions-001188nas a2200157 4500008004100000022001400041245010100055210006900156260008900225300001200314490000700326520053600333100002200869700001600891856012300907 2008 eng d a0376-471000aIonic liquids: physico-chemical, solvent properties and their applications in chemical processes0 aIonic liquids physicochemical solvent properties and their appli aDR K S KRISHNAN MARG, NEW DELHI 110 012, INDIAbNATL INST SCIENCE COMMUNICATIONcAPR a495-5030 v473 a

A new class of compounds, called as ionic liquids, has recently emerged as potential substitute for volatile organic solvents. Ionic liquids possess certain special physico-chemical characteristics that render them very useful in different areas of research and development. In this review, the physico-chemical properties and the applications of ionic liquids in chemical processes are critically discussed and recommendations made for probing further the poorly understood aspect of this newly emerging class of compounds.

1 aSingh, Geetanjali1 aKumar, Anil uhttps://library.ncl.res.in/content/ionic-liquids-physico-chemical-solvent-properties-and-their-applications-chemical-002238nas a2200241 4500008004100000022001400041245010700055210006900162260007300231300001200304490000700316520138200323653001201705653001601717653000901733653001801742653001101760100002101771700002401792700002901816700002601845856012501871 2008 eng d a0926-337300aIron-nickel bimetallic nanoparticles for reductive degradation of azo dye orange G in aqueous solution0 aIronnickel bimetallic nanoparticles for reductive degradation of aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcMAR a270-2780 v793 a

The degradation of Orange G, a monoazo dye, in aqueous solutions was investigated using Fe-Ni bimetallic nanoparticles. Transmission electron microscopy (TEM) of as-synthesized nanoparticles showed the presence of spherical particles having a size of 20-40 nm. X-ray photoelectron spectroscopy (XPS) did not detect the presence of nickel on the nanoparticle surface, which suggested a uniform distribution of both metals inside the particle core. Batch experiments with a minimum nanocatalyst loading of 3 g/L showed complete dye degradation after 10 min of reaction time. The degradation efficiency was linearly dependent on the initial dye concentration, pH of the solution and total Fe-Ni catalyst concentration. The efficiency increased with increasing Fe-Ni concentration and decreasing pH of the solution, but decreased with an increase in the dye concentration. The degradation rate followed first order reaction kinetics with respect to the dye concentration. High performance liquid chromatography-mass spectrometry (HPLC-MS) analysis of the degradation products revealed that the degradation mechanism proceeds through a reductive cleavage of the azo linkage resulting in the formation of aniline and surface-adsorbed naphthol amine derivatives. The latter are subsequently hydroxylated through an oxidative process. (C) 2007 Elsevier B.V. All rights reserved.

10aAzo Dye10aDegradation10airon10aNanoparticles10aNickel1 aBokare, Alok, D.1 aChikate, Rajeev, C.1 aRode, Chandrashekhar, V.1 aPaknikar, Kishore, M. uhttps://library.ncl.res.in/content/iron-nickel-bimetallic-nanoparticles-reductive-degradation-azo-dye-orange-g-aqueous-002067nas a2200229 4500008004100000022001400041245009900055210006900154260005700223300001400280490000700294520120800301653003101509653003001540653001701570653002501587100002401612700002401636700002701660700002201687856012801709 2008 eng d a0959-399300aIsolation and heterologous expression of PHA synthesising genes from Bacillus thuringiensis R10 aIsolation and heterologous expression of PHA synthesising genes  a233 SPRING ST, NEW YORK, NY 10013 USAbSPRINGERcSEP a1769-17740 v243 a

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

10aaceto-acetyl-coA reductase10aBacillus thuringiensis R110aPHA synthase10apolyhydroxyalkanoate1 aDesetty, Rohini, D.1 aMahajan, Vineet, S.1 aKhan, Bashir, Mohammad1 aRawal, Shuban, K. uhttps://library.ncl.res.in/content/isolation-and-heterologous-expression-pha-synthesising-genes-bacillus-thuringiensis-r1-001421nas 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-002751nas a2200277 4500008004100000022001400041245012500055210006900180260006400249300001200313490000800325520173500333653000902068653003702077653003202114653000902146653001302155653002102168653003002189653004702219100002002266700002002286700002002306700001702326856013002343 2009 eng d a0027-551400aIdentification of Indian pathogenic races of fusarium oxysporum f. sp ciceris with gene specific, ITS and random markers0 aIdentification of Indian pathogenic races of fusarium oxysporum  a810 E 10TH ST, LAWRENCE, KS 66044 USAbALLEN PRESS INCcAUG a484-4950 v1013 a

In this study we demonstrate the synergistic use of gene-specific markers, ITS-RFLP, ISSR and AFLP for distinguishing Indian F. oxysporum f. sp. ciceris races. We also report for the first time that F. oxysporum f. sp. ciceris race 3, a wilt pathogen of chickpea in India, is actually E proliferatum based on phylogenetic analysis with EF-1 alpha sequence data. E oxysporum f. sp. ciceris races 1, 2 and 4 were easily distinguished from ``race 3'' (F. proliferatum) by PCR amplification with oligonucleotides designed from conserved regions of Hop78 transposon (Hop 78), cutinase (Cut), desaturase (Dst). F oxysporum f. sp. ciceris race 4 was distinguished with the xylanase 3 (xyl3) gene by absence of amplification product only in this race. The Xyl3 amplified-DNA fragment isolated and sequenced from E oxysporum f. sp. ciceris race I was similar to the F-xylanase (Xyl3) gene of E oxysporum f. sp. lycopersici. A TELD motif, which is characteristic of the F-xylanases family, was detected within the deduced amino acid sequence of F. oxysporum f. sp. ciceris. Similarly the F oxysporum f. sp. ciceris Hop78 DNA fragment, which identified ``race 3'' (E proliferatum), was homologous to the Hop78 transposon of E oxysporum f. sp. melonis, including the 100 amino acid conserved domain and the characteristic CCHC motif. The internal transcribed spacer region-restriction fragment length polymorphism (ITS-RFLP) approach along with intersimple sequence repeat (ISSR) method also differentiated ``race 3'' (F. proliferatum). Races 1 and 2 were identified by unique AFLP patterns. Sequence characterization of race-specific AFLP products revealed significant homologies of these sequences with metabolically important genes.

10aAFLP10aF. oxysporum f. sp ciceris races10agene specific amplification10aISSR10aITS-RFLP10arace delineation10asequence characterization10atranslation elongation factor (EF-1 alpha)1 aGurjar, Gayatri1 aBarve, Maneesha1 aGiri, Ashok, P.1 aGupta, Vidya uhttps://library.ncl.res.in/content/identification-indian-pathogenic-races-fusarium-oxysporum-f-sp-ciceris-gene-specific-its-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-002367nas a2200217 4500008004100000022001400041245015500055210006900210260010200279300001200381490000800393520150000401653002301901653001201924653001101936653001301947653000901960100002501969700003001994856012502024 2009 eng d a0253-413400aImaging hydrogen oxidation activity of catalyst-coated perfluoro sulfonic acid-polymer electrolyte membranes using scanning electrochemical microscopy0 aImaging hydrogen oxidation activity of catalystcoated perfluoro  aC V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIAbINDIAN ACAD SCIENCEScSEP a719-7250 v1213 a

Scanning Electrochemical Microscopy (SECM) is a unique technique for studying fast heterogeneous kinetics and to map reactivity gradients along the surface of an electrocatalyst, especially when it involves multiple surface sites of varying reactivity. It combines the dual advantages offered by ultramicroelectrode (UME) voltammetry in terms of reduced ohmic drop and insignificant double layer charging contribution with the advantages of imaging by rastering the UME across an electro-active surface. In this work, we demonstrate these distinctive features of SECM in evaluating reactivity gradients on catalyst (Pt/C) coated NafionA (R) films towards hydrogen oxidation activity, a reaction of immense technological relevance. Imaging has been performed in the feedback mode by allowing H(2) evolution at the tip (25 A mu m Pt UME), which is reoxidized at the substrate electrode containing Pt/C-Nafion film. Interesting distribution in H(2) oxidation activity has been observed as a function of potential applied to the Pt/C-Nafion film. In addition, a plot of normalized tip current versus the substrate electrode potential indicates the effect of potential-induced reactivity change in the catalyst-coated membranes. The results of the present investigation are believed to be useful to H(2)/O(2) PEM fuel cells with respect to evaluating reactivity gradients of catalyst-coated polymer electrolyte membranes, which is important to rectify problems related to catalyst utilization.

10ahydrogen oxidation10aImaging10aNafion10aplatinum10aSECM1 aParthasarathy, Meera1 aPillai, Vijayamohanan, K. uhttps://library.ncl.res.in/content/imaging-hydrogen-oxidation-activity-catalyst-coated-perfluoro-sulfonic-acid-polymer-001826nas a2200217 4500008004100000022001400041245016400055210006900219260007100288300001600359490000800375520093400383100002301317700001901340700001501359700002101374700002801395700002401423700003201447856012901479 2009 eng d a1932-744700aImmobilization of phosphotungstic acid (PTA) on imidazole functionalized silica: evidence for the nature of PTA binding by solid state NMR and reaction studies0 aImmobilization of phosphotungstic acid PTA on imidazole function a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcDEC a21114-211220 v1133 a

Phosphotungstic acid (PTA) immobilized onto imidazole functionalized fumed silica and was used its an efficient catalyst for epoxidation of a variety of olefins using aqueous H(2)O(2) as all oxidant. Negligible leaching of PTA under the reaction conditions employed indicates a strong interaction between PTA and imidazole The immobilized catalysts Could be separated and reused after the catalytic cycle Evidence for the heterogenization of PTA oil the imidazole functionalized fumed silica has been inferred from different spectroscopic techniques like IR, UV-vis, and NMR. Importantly, the nature of binding of PTA oil the support has been studied in detail by solid state NMR spectroscopy using (15)N labeled imidazole Support. It is clear from the NMR Studies that the effective heterogenization of PTA is mainly due to imidazolium ion Formation oil the support by the acidic protons of PTA and the resultant ion pair

1 aSofia, L., T. Aany1 aKrishnan, Asha1 aSankar, M.1 aRaj, N., K. Kala1 aManikandan, Palanichamy1 aRajamohanan, P., R.1 aAjithkumar, Thalasseril, G. uhttps://library.ncl.res.in/content/immobilization-phosphotungstic-acid-pta-imidazole-functionalized-silica-evidence-nature-001170nas a2200205 4500008004100000022001400041245002600055210002600081260010600107300001200213490000700225520056600232653001700798653001900815653001700834653001500851100001900866700001600885856006300901 2009 eng d a0734-975000aImmobilized invertase0 aImmobilized invertase aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcJUL a311-3220 v273 a

Invertase is a commercially important enzyme used for the hydrolysis of sucrose. The hydrolysis of sucrose yields an equimolar mixture of glucose and fructose, known as invert syrup, is widely used in food and beverage industries. This enzyme is also used for the manufacture of artificial honey, plasticizing agents used in cosmetics, pharmaceutical and paper industries as well as enzyme electrodes for the detection of sucrose. Immobilization of invertase and its biotechnological applications are reviewed. (c) 2009 Elsevier Inc. All rights reserved.

10aApplications10aImmobilization10aInvert syrup10aSaccharase1 aKotwal, S., M.1 aShankar, V. uhttps://library.ncl.res.in/content/immobilized-invertase-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-001875nas a2200241 4500008004100000022001400041245013700055210006900192260007300261300001200334490000700346520092200353653002801275653002501303653002201328653003101350653002401381100002301405700002001428700002301448700003001471856013201501 2009 eng d a0927-776500aIn situ synthesis of water dispersible bovine serum albumin capped gold and silver nanoparticles and their cytocompatibility studies0 aIn situ synthesis of water dispersible bovine serum albumin capp aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcOCT a224-2280 v733 a

A simple and convenient one step room temperature method is described for the synthesis of bovine serum albumin (BSA) capped gold and silver nanoparticles. BSA reduces silver ions to silver nanoparticles but does not directly reduce gold ions to gold nanoparticles at room temperature and varying pH conditions. However, when silver and gold ions are simultaneously added to BSA, silver ions get reduced to metallic silver first and these in turn reduce gold ions to gold nanoparticles through a galvanic exchange reaction. The so synthesized silver and gold nanoparticles are easily water dispersible and can withstand addition of salt even at high concentrations. It is shown that the capped protein retains its secondary structure and the helicity to a large extent on the nanoparticles surface and that the protein capping makes the nanoparticles cytocompatible. (C) 2009 Elsevier B.V. All rights reserved.

10aAg and Au nanoparticles10aBovine serum albumin10aCytocompatibility10aGalvanic exchange reaction10aReductive synthesis1 aMurawala, Priyanka1 aPhadnis, S., M.1 aBhonde, Ramesh, R.1 aPrasad, Bhagavatula L. V. uhttps://library.ncl.res.in/content/situ-synthesis-water-dispersible-bovine-serum-albumin-capped-gold-and-silver-nanoparticles-002605nas a2200265 4500008004100000022001400041245011500055210006900170260007300239300001200312490000800324520164200332653003001974653001402004653003502018653003602053653001402089100001902103700001702122700001602139700001302155700002402168700001802192856012902210 2009 eng d a1387-181100aIncorporation of tin in different types of pores in SBA-15: synthesis, characterization and catalytic activity0 aIncorporation of tin in different types of pores in SBA15 synthe aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcDEC a234-2440 v1263 a

Mesoporous Sn-SBA-15 has been synthesized by three different methods Such as conventional hydrothermal route, using cocatalyst NH4F and in the presence of organosilane precursor. All the materials are thoroughly characterized by powder X-ray diffraction (XRD), SEM. TEM. N-2 sorption and surface area measurements, diffuse-reflectance UV-visible and FTIR spectroscopy. TG-DTA and elemental analysis through ICP. Nitrogen adsorption data, XRD patterns, and TEM observations Suggests that the textural properties are retained during the isomorphous substitution of silicon by tin. ICP chemical analysis indicates that tin can be substituted in the range of S-l/S-n = 69-162. UV-visible spectra of samples synthesized by the cocatalytic approach exhibit unique absorption band at 213 nm characteristics of tin atom substituted in the smaller pores (2-3 nm) located inside the walls of mesopores. Further, an additional band at 224 nm can be assigned to Sri atoms located in the distorted tetrahedral position along the primary mesopores. In contrary, only one absorption band centered at 224 nm is observed for all the samples synthesized by conventional hydrothermal as well as in the presence of organosilane precursor. F-19 NMR spectra confirmed (no signal) the absence of occluded F- ions in the samples made with NH4F. Observed high catalytic activity in Baeyer-Villiger oxidation and Meerwin-Pondorf-Verly reduction under the liquid-phase conditions suggest the incorporation of a portion of tin in the smaller pores for the Sn-SBA-15 materials synthesized through cocatalyst method. (C) 2009 Elsevier Inc. All rights reserved.

10aBaeyer-Villiger oxidation10acatalysis10aFunctionalization of mesopores10aMeerwin-Pondorf-Verly reduction10aSn-SBA-151 aSasidharan, M.1 aKiyozumi, Y.1 aMal, N., K.1 aPaul, M.1 aRajamohanan, P., R.1 aBhaumik, Asim uhttps://library.ncl.res.in/content/incorporation-tin-different-types-pores-sba-15-synthesis-characterization-and-catalytic-001262nas a2200145 4500008004100000245009500041210006900136260000800205300001600213490000700229520071400236100002200950700001900972856012500991 2009 eng d00aInduce negative differential resistance in organic devices through a ferroelectric polymer0 aInduce negative differential resistance in organic devices throu cJUN a1116–11190 v103 a

We report how ferroelectric materials induce negative differential resistance (NDR) in organic devices. Fluorescein, which exhibits semiconducting current–voltage characteristics, shows NDR effect in a ferroelectric matrix. Here, we vary the concentration of fluorescein in the ferroelectric matrix to study its effect on NDR. We also show how the degree of polarization controls NDR. We infer that under a suitable bias, the ferroelectric polymer becomes polarized to facilitate electron-injection in the device followed by a double-reduction of fluorescein molecules. From the capacitance–voltage measurements, we substantiate the role of polarization in inducing NDR effect in organic molecules.

1 aRath, Arup, Kumar1 aPal, Amlan, J. uhttps://library.ncl.res.in/content/induce-negative-differential-resistance-organic-devices-through-ferroelectric-polymer02275nas a2200253 4500008004100000022001400041245013000055210006900185260006900254300001400323490000800337520136500345653002001710653002001730653000801750653002401758653002301782653001601805653000801821100002201829700002201851700001701873856013101890 2009 eng d a0379-677900aInfluence of dopant ions on properties of conducting polypyrrole and its electrocatalytic activity towards methanol oxidation0 aInfluence of dopant ions on properties of conducting polypyrrole aPO BOX 564, 1001 LAUSANNE, SWITZERLANDbELSEVIER SCIENCE SAcAUG a1682-16880 v1593 a

The polypyrrole (PPy) films were deposited on vacuum metallized substrates by electro-oxidation of pyrrole monomer. These electrodes were then modified with a range of metal halides having different electronegativities. The modified polypyrrole electrodes were employed to investigate electrocatalytic activity towards methanol electrochemical oxidation by means of cyclic voltammetry in 0.1 M HClO(4) as supporting electrolyte. It was found that the electronegativity of the dopant ion incorporated in the PPy film governs the electrocatalytic activity towards methanol oxidation. Among different dopant anions used in the present work, the PPy doped with zirconium chloride gave the highest anodic current of 10 mA cm(-2) at the oxidation potential of methanol. Electrical property and the charge created due to doping in the polymers were measured using X-ray photoelectron spectroscopy (XPS) and Electron spin resonance spectroscopy (ESR). Electrocatalytic activity of the modified electrodes was correlated with various factors obtained from different polymer characterization experiments. The results were explained on the basis of the charge-transfer efficiency at the electrode I electrolyte interface, which was associated with the acceptor state created by the dopant in the semi-conducting polymer. (C) 2009 Elsevier B.V. All rights reserved.

10acharge transfer10aelectrocatalyst10aESR10aMetal halide dopant10aMethanol oxidation10apolypyrrole10aXPS1 aAdhikari, Arindam1 aRadhakrishnan, S.1 aPatil, Rahul uhttps://library.ncl.res.in/content/influence-dopant-ions-properties-conducting-polypyrrole-and-its-electrocatalytic-activity-001978nas a2200265 4500008004100000022001400041245017200055210006900227260010600296300001400402490000700416520090400423653003101327653002701358653001401385653002501399653001801424100001901442700002401461700002201485700002501507700003001532700002401562856012601586 2009 eng d a0040-402000aInfluence of electronic factors on pd-mediated cycloisomerization: a systematic investigation of competitive 6-exo-dig versus 7-endo-dig cyclizations of sugar alkynols0 aInfluence of electronic factors on pdmediated cycloisomerization aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcNOV a9819-98320 v653 a

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

10aAlkynol cycloisomerization10aBridged bicyclic ketal10aPalladium10aSonogashira coupling10aSugar alkynol1 aRamana, C., V.1 aInduvadana, Boddeti1 aSrinivas, Burgula1 aYadagiri, Kommagalla1 aDeshmukh, Madhusudhan, N.1 aGonnade, Rajesh, G. uhttps://library.ncl.res.in/content/influence-electronic-factors-pd-mediated-cycloisomerization-systematic-investigation-001941nas a2200229 4500008004100000022001400041245014000055210006900195260009900264300001200363490000700375520102200382653002701404653002201431653002301453653000901476653002201485653002301507100002101530700003301551856012701584 2009 eng d a1359-511300aInfluence of hormones and medium components on expression of dipyranocoumarins in cell suspension cultures of calophyllum inophyllum L.0 aInfluence of hormones and medium components on expression of dip aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLANDbELSEVIER SCI LTDcAUG a916-9220 v443 a

Cell suspension cultures were initiated separately from leaf and nodal/internodal calluses for the study of influence of hormones and medium components on biomass growth and expression of dipyranocoumarins. Highest 6.2 times biomass was enhanced in suspension cultures of nodal/internodal callus supplemented with threefold total sulphate. Picloram 8.28 mu M along with BAP 8.88 mu M enhanced 295.05 times inophyllum A in suspension cultures of leaf callus whereas IBA 14.70 mu M along with BAP 4.44 mu M in suspension cultures of leaf callus enhanced 1065 times inophyllum B. IBA 4.90 mu M alone in suspension cultures of nodal/internodal callus enhanced maximum 616 times inophyllum C. Only IBA 9.80 mu M in suspension cultures of leaf callus enhanced 23.22 times inophyllum P. Variation in nitrate and sulphate had maximum positive influence on expression of inophyllums A and C and vitamins had maximum positive influence on expression of inophyllums A, C and B. (C) 2009 Elsevier Ltd. All rights reserved.

10aCalophyllum inophyllum10adipyranocoumarins10aExpression pattern10aHPLC10aMedium components10aSuspension culture1 aPawar, Kiran, D.1 aThengane, Shubhada, Ratnakar uhttps://library.ncl.res.in/content/influence-hormones-and-medium-components-expression-dipyranocoumarins-cell-suspension-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-001645nas a2200241 4500008004100000022001400041245009300055210006900148260010200217300001000319490000800329520079700337653001801134653000801152653002301160653001701183100001901200700001401219700002001233700001601253700002501269856010901294 2009 eng d a0253-412600aOn the influence of spatial heterogeneity on an internal boundary layer at a short fetch0 ainfluence of spatial heterogeneity on an internal boundary layer aC V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIAbINDIAN ACAD SCIENCEScFEB a61-700 v1183 a

Surface layer meteorological data collected at a coastal site, at Vasco-Da-Gama (15A degrees 21'N, 73A degrees 51'E, 58.5m MSL) (13-18 July, 2002) with prevailing southwesterly surface winds are analyzed to study the characteristics of internal boundary layer at a short fetch using an instrumented tower (9 m). The spectral and turbulence characteristics of wind are compared with earlier measurements made at a comparatively homogeneous terrain and the standards available in literature. The study show the smaller eddies in the vertical velocity spectrum attains equilibrium with the underlying surface at a short fetch itself and follows spectral similarity. However, this is not followed by longitudinal and transverse velocity spectra under unstable as well as stable conditions.

10aheterogeneity10aIBL10asea-land interface10awind spectra1 aMurthy, B., S.1 aLatha, R.1 aSukumaran, Cini1 aShivaji, A.1 aSivaramakrishnan, S. uhttps://library.ncl.res.in/content/influence-spatial-heterogeneity-internal-boundary-layer-short-fetch-002163nas a2200253 4500008004100000022001400041245013100055210006900186260011700255300001000372490000600382520116900388653001601557653002201573653002601595653002701621653001501648100002401663700002001687700002601707700003101733700001501764856013001779 2009 eng d a0973-626300aInteraction of alpha-mannosidase from aspergillus fischeri with glycosidase inhibitors, metal ions and group specific reagents0 aInteraction of alphamannosidase from aspergillus fischeri with g aSECTOR A-80, SCHEME NO 54, VIJAY NAGAR, A B ROAD, INDORE, 452 010 MP, INDIAbRESEARCH JOURNAL BIOTECHNOLOGYcNOV a39-480 v43 a

As an initial step towards using alpha-mannosidase as a target against anticancer drugs, inhibition studies of a model enzyme, class II alpha-mannosidase from Aspergillus fischeri in presence of polyhydroxy piperidine derived glycosidase inhibitors, metal ions and amino acid specific reagents were carried out to reveal the sensitivity of the enzyme. Three of the derivatives (Compound 20, 32 and 39)(11) showed competitive inhibition (K(i) =45, 48 and 235 mu M) and the binding of the inhibitors to the enzyme was entropically driven. Among the metal ions checked, Cu(++) (K(i) = 21nm) and Se(++) ions (K(i) = 32 mu M) showed noncompetitive and Co(++) (K(i) = 1.195 mM) showed competitive inhibition of the enzyme activity with insignificant change in the secondary structure of the protein. The above studies exhibit the Potential of the enzyme in studying anticancer drugs. Treatment of the enzyme with group specific reagents showed the presence of carboxylate, Arg and Cys at the active site. Substrate protection studies and kinetics of the modified enzyme confirmed the above results. Trp and His at the active site were observed to be in proximity.

10aactive-site10aalpha-Mannosidase10aChemical modification10aGlycosidase inhibitors10ametal ions1 aShashidhara, K., S.1 aGaikwad, S., M.1 aKhan, Mohammad, Islam1 aBharadwaj, Kishor, Chandra1 aPandey, G. uhttps://library.ncl.res.in/content/interaction-alpha-mannosidase-aspergillus-fischeri-glycosidase-inhibitors-metal-ions-and-002491nas a2200229 4500008004100000022001400041245018200055210006900237260009500306300001200401490000800413520149900421653003801920653002801958653003901986653002302025100002202048700001802070700002702088700002402115856012202139 2009 eng d a0021-979700aInterfacial and physico-chemical properties of polymer-supported CdS center dot ZnS nanocomposites and their role in the visible-light mediated photocatalytic splitting of water0 aInterfacial and physicochemical properties of polymersupported C a525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USAbACADEMIC PRESS INC ELSEVIER SCIENCEcMAY a263-2680 v3333 a

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

10aCdS center dot ZnS nanocomposites10aPhotocatalytic activity10aRole of microstructural properties10aSplitting of water1 aDeshpande, Aparna1 aShah, Pallavi1 aGholap, Ramkrishna, S.1 aGupta, Narendra, M. uhttps://library.ncl.res.in/content/interfacial-and-physico-chemical-properties-polymer-supported-cds-center-dot-zns-001433nas a2200157 4500008004100000022001400041245009300055210006900148260007100217300001600288490000800304520081500312100002201127700001601149856011001165 2009 eng d a1089-563900aInterfacial reactivity of ``on water'' reactions in the presence of alcoholic cosolvents0 aInterfacial reactivity of on water reactions in the presence of  a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcDEC a13685-136930 v1133 a

A detailed study of the variation in the interfacial reactivity and selectivity of ``on water'' reactions in the presence of increasing amounts of alcoholic cosolvents is discussed in the present work. The initial increase in the rates of ``on water'' reactions on the addition of alcoholic cosolvents is contrary to the sharp decrease in rates observed for homogeneous aqueous reactions. The existing theoretical framework is presented in terms of a typical ``on water'' process to enable a discussion of the experimental observations with reference to changing composition of the reaction medium. On the basis of the interesting observations of reactivity and selectivity variations with composition of the reaction medium, a simple ``signature'' characteristic for ``on water'' reactions is proposed.

1 aTiwari, Shraeddha1 aKumar, Anil uhttps://library.ncl.res.in/content/interfacial-reactivity-water-reactions-presence-alcoholic-cosolvents-001394nas a2200229 4500008004100000022001400041245009600055210006900151260006800220300001400288490000800302520055300310653002000863653001800883653002900901100001900930700002700949700002400976700001601000700001601016856013201032 2009 eng d a0020-760800aIntermediate hamiltonian hilbert space coupled cluster method: theory and pilot application0 aIntermediate hamiltonian hilbert space coupled cluster method th a111 RIVER ST, HOBOKEN, NJ 07030 USAbJOHN WILEY & SONS INCcNOV a2909-29150 v1093 a

The intermediate Hamiltonian state universal (Hilbert-space) coupled-cluster method is presented, using a formalism similar to that developed for the valence universal (Fock-space) approach. The method is expected to be applicable to many states not accessible by traditional multiroot multireference all-order size-extensive approaches. A pilot application to excited states of atomic beryllium shows good convergence and agreement with experiment and full CI values. (C) 2009 Wiley Periodicals, Inc. Int J Quantum Chem 109: 2909-2915, 2009

10acoupled cluster10aHilbert space10aintermediate Hamiltonian1 aEliav, Ephraim1 aBorschevsky, Anastasia1 aShamasundar, K., R.1 aPal, Sourav1 aKaldor, Uzi uhttps://library.ncl.res.in/content/intermediate-hamiltonian-hilbert-space-coupled-cluster-method-theory-and-pilot-application-001274nas a2200157 4500008004100000022001400041245013100055210006900186260007100255300001600326490000700342520058600349100002400935700003000959856012700989 2009 eng d a0743-746300aIntracellular biogenic silver nanoparticles for the generation of carbon supported antiviral and sustained bactericidal agents0 aIntracellular biogenic silver nanoparticles for the generation o a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcOCT a11741-117470 v253 a

Intracellular silver nanoparticles produced by exposing silver ions to the fungus Aspergillus ochraceus were heat-treated in nitrogen environment to yield silver nanoparticles embedded in carbonaceous supports. This carbonaceous matrix embedded silver nanoparticles showed antimicrobial properties against both bacteria (Gram-positive and Gram-negative) and virus (M 13 phage virus). The bactericidal effects were noticed even after washing and repealed exposure of these carbon supported silver nanoparticles to fresh bacterial Cultures, revealing their sustained activity.

1 aVijayakumar, P., S.1 aPrasad, Bhagavatula L. V. uhttps://library.ncl.res.in/content/intracellular-biogenic-silver-nanoparticles-generation-carbon-supported-antiviral-and-001740nas a2200229 4500008004100000022001400041245007800055210006900133260006900202300001200271490000800283520096700291653001601258653001901274653001501293653001801308653001401326100002401340700001301364700002201377856011101399 2009 eng d a0925-400500aInvestigations on Ru doped ZnO: strain calculations and gas sensing study0 aInvestigations on Ru doped ZnO strain calculations and gas sensi aPO BOX 564, 1001 LAUSANNE, SWITZERLANDbELSEVIER SCIENCE SAcJUN a466-4700 v1393 a

Pure and ruthenium (Ru) doped nano-crystalline zinc oxide (ZnO) powders were synthesized by using well-known citrate gel route. Citric acid acts as a chelating agent and thus helps in the formation of nanoparticles. The detailed X-ray diffraction (XRD) studies using Hall equation reveal that in the nanoscale dimensions, incorporation of Ru modulates the lattice strain. It is interesting to note that on Ru doping, the compressive strain present in the undoped ZnO changes into tensile strain. We have tested the response of these specimens individually for reducing gases like H(2), LPG (liquefied petroleum gas), C(2)H(5)OH (ethanol), CO, acetone and oxidizing gases like NO, and Cl(2). Undoped ZnO responses perceptibly to LPG while Ru doped sample highly senses ethanol vapors. This might be due to either change in composition on Ru doping or/and difference between basicity of LPG and C(2)H(5)OH vapors. (C) 2009 Elsevier B.V. All rights reserved.

10aCitrate gel10aEthanol sensor10aLPG sensor10aNanomaterials10aruthenium1 aNavale, Shalaka, C.1 aRavi, V.1 aMulla, Imtiaz, S. uhttps://library.ncl.res.in/content/investigations-ru-doped-zno-strain-calculations-and-gas-sensing-study-002126nas a2200217 4500008004100000022001400041245015500055210006900210260007300279300001100352490000800363520128100371653001501652653001401667653001901681653001801700653002501718100001901743700001601762856013001778 2009 eng d a0166-128000aIonization potential and structure relaxation of adenine, thymine, guanine and cytosine bases and their base pairs: a quantification of reactive sites0 aIonization potential and structure relaxation of adenine thymine aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcMAY a96-1020 v9023 a

We present density functional theory (DFT) calculations using B3LYP/6-31++G** method to show relaxation in geometry of base pairs on cation radical formation. The changes in hydrogen bond length and angles show that in the cationic radical form the structure of the base pairs relaxes due to the distribution of charge. According to a recent study. it has been found that, upon excitation hole transfer from base to sugar occurs which results in sugar radical formation and leads to strand breakage 145] [A. Kumar, M.D. Sevilla, J. Phys. Chem. B 110 (2006) 24181]. One hydrogen bond increases, while the other decreases in Adenine-Thymine (AT) base pair and in case of Guanine-Cytosine (GC) base pair. one bond increases and other two decrease. Same is the case with bond angles for both the base pairs. Analysis of the electron density map of Singly Occupied Molecular Orbital (SOMO) reveals that electron is transferred mainly from adenine and guanine bases in the cationic radical formation of AT and CC base pair, respectively. The reactive sites of bases have been analyzed using condensed Fukui functions in a relaxed and frozen core approximation. The effects of relaxation on the reactivity indices are also analyzed. (C) 2009 Elsevier B.V. All rights reserved.

10aBase-pairs10aDNA bases10aFukui function10aH-bond length10aIonization potential1 aMishra, Deepti1 aPal, Sourav uhttps://library.ncl.res.in/content/ionization-potential-and-structure-relaxation-adenine-thymine-guanine-and-cytosine-bases-001861nas a2200181 4500008004100000022001400041245022400055210006900279260011000348300001400458490000700472520097200479100002401451700002401475700002501499700002701524856012801551 2009 eng d a1466-803300aIsostructural molecular strings linked via conserved dipolar (ether) O center dot center dot center dot C=O short contacts in conformational polymorphs of racemic 2,4-di-O-acetyl-6-O-tosyl-myo-inositol 1,3,5-orthoesters0 aIsostructural molecular strings linked via conserved dipolar eth aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcJAN a1022-10290 v113 a

Conformational dimorphs of racemic 2,4-di-O-acetyl-6-O-tosyl-myo-inositol 1,3,5-orthoformate and its orthoacetate analogue were characterized using single crystal X-ray diffraction, thermal analysis and hot-stage microscopy techniques. In these polymorphs, the tosyl group adopted different conformations due to the rotation about the O-S bond. A significant variation in the torsion angle for the tosyl group (similar to 56 degrees) was observed for Form II crystal of the orthoformate derivative, which exhibited an intramolecular dipolar S=O center dot center dot center dot C=O (sulfonyl-carbonyl) short contact. An interesting feature in all conformational polymorphs is the formation of an isostructural string (despite the differences in the orientation of the tosyl group) linked via dipolar (ether) O center dot center dot center dot C=O contacts, which is further stitched by other weak interactions to form different layers in their crystal lattice.

1 aManoj, Kochunnoonny1 aGonnade, Rajesh, G.1 aBhadbhade, Mohan, M.1 aShashidhar, Mysore, S. uhttps://library.ncl.res.in/content/isostructural-molecular-strings-linked-conserved-dipolar-ether-o-center-dot-center-dot-002284nas a2200205 4500008004100000022001400041245010900055210006900164260007300233300001000306490000800316520147300324653003101797653002901828653002101857653003301878100002201911700001801933856012701951 2009 eng d a0040-603100aIsothermal crystallization and melting behavior of polypropylene/layered double hydroxide nanocomposites0 aIsothermal crystallization and melting behavior of polypropylene aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcJUL a63-700 v4913 a

The effect of layered double hydroxide (LDH) nanolayers on the crystallization behavior of polypropylene (PP) was studied based on the preparation of nanocomposites by a melt intercalation method. The isothermal crystallization kinetics and subsequent melting behavior of PP/LDH hybrids were studied with differential scanning calorimetry (DSC), polarized optical microscopy (POM), and wide-angle X-ray diffraction (WAXD). Studies revealed that the LDH promoted heterogeneous nucleation, accelerating the crystallization of PR The Avrami equation successfully describes the isothermal crystallization kinetics of PP/LDH hybrids and signifies heterogeneous nucleation in crystal growth of PR The varying values of Avrami exponent (n) and half crystallization time (t(1/2)) of PP and PP/LDH hybrids describes overall crystallization behavior. The crystallite size (D(hkl)) and distribution of different crystallites in PP varied in presence of LDH. A significant increase in melting temperature is observed for PP/LDH hybrids. The POM showed that smaller and less perfect crystals were formed in nanocomposites because of molecular interaction between PP chains and LDH. The value of fold surface free energy (sigma(e)) of PP chains decreased with increasing LDH content. Finally, the overall results signify that LDH at nanometer level acted as nucleating agent and accelerate the overall crystallization process of PR (C) 2009 Elsevier B.V. All rights reserved.

10aIsothermal crystallization10aLayered double hydroxide10aMelting behavior10aPolypropylene nanocomposites1 aLonkar, Sunil, P.1 aSingh, R., P. uhttps://library.ncl.res.in/content/isothermal-crystallization-and-melting-behavior-polypropylenelayered-double-hydroxide-001179nas a2200157 4500008004100000022001400041245016500055210006900220260007100289300001400360490000700374520046800381100002700849700001900876856012600895 2009 eng d a1523-706000aIterative approach to enantiopure syn/anti-1,3-polyols via proline-catalyzed sequential alpha-aminoxylation and horner-wadsworth-emmons olefination of aldehydes0 aIterative approach to enantiopure synanti13polyols via prolineca a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcJUN a2611-26140 v113 a

Iterative use of proline-catalyzed tandem alpha-aminoxylation and HWE olefination of aldehydes provided a simple access to 1,3-polyols. The feasibility of this approach is initially studied to synthesize syn- and anti-1,3-diols and is further extended to a syn/syn-1,3,5-triol at a useful level of asymmetric induction and yield. Its usage is Illustrated by the short synthesis of a hydroxylactone pheromone component, (2S,3S)-2-hydroxyhexylcyclopentanone.

1 aKondekar, Nagendra, B.1 aKumar, Pradeep uhttps://library.ncl.res.in/content/iterative-approach-enantiopure-synanti-13-polyols-proline-catalyzed-sequential-alpha-001795nas a2200253 4500008004100000022001400041245010800055210006900163260009900232300001400331490000800345520088800353653001101241653001401252653001501266653001601281653001801297100001601315700002401331700002301355700001801378700001901396856012601415 2010 eng d a0960-852400aIdentification of two flavin monooxygenases from an effluent treatment plant sludge metagenomic library0 aIdentification of two flavin monooxygenases from an effluent tre aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLANDbELSEVIER SCI LTDcNOV a8481-84840 v1013 a

Oxygenases are useful for the production of many industrially important molecules. Screening of an effluent treatment plant (ETP) sludge metagenomic library identified two clones encoding proteins, B1 and B2, with similarity to putative Flavin monooxygenases from Mesorhizobium loti and Sphingomonas wittichi, respectively. The deduced amino acid sequences show only 20% identity, but both have a paired Rossman fold and a flavin monooxygenase (FMO) motif. B1 and B2 appear to be members of the Flavin-containing monooxygenase and the Baeyer-Villiger monooxygenases subfamilies, respectively. When expressed in Escherichia coli, the two clones produced activities that oxidized indole to a mixture of indigo and indirubin pigments. These results suggest that B1 and B2 have potential as a biocatalyst in indigo/indirubin production. (C) 2010 Elsevier Ltd. All rights reserved.

10aIndigo10aIndirubin10aMetagenome10aMetagenomic10aMonooxygenase1 aSingh, Ajit1 aChauhan, Nar, Singh1 aThulasiram, H., V.1 aTaneja, Vibha1 aSharma, Rakesh uhttps://library.ncl.res.in/content/identification-two-flavin-monooxygenases-effluent-treatment-plant-sludge-metagenomic-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-001649nas a2200193 4500008004100000022001400041245009800055210006900153260007100222300001400293490000700307520090600314100002201220700002501242700002301267700002401290700001801314856012301332 2010 eng d a0897-475600aIn situ encapsulation of pt nanoarchitectures of varying morphologies in mesoporous compounds0 aIn situ encapsulation of pt nanoarchitectures of varying morphol a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcMAR a1633-16390 v223 a

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

1 aPrashar, Atul, K.1 aHodgkins, Robert, P.1 aChandran, Jima, N.1 aRajamohanan, P., R.1 aDevi, Nandini uhttps://library.ncl.res.in/content/situ-encapsulation-pt-nanoarchitectures-varying-morphologies-mesoporous-compounds-001059nas a2200157 4500008004100000022001400041245012700055210006900182260010600251300001400357490000700371520035800378100002300736700002400759856011800783 2010 eng d a0040-403900aIn situ, on-resin synthesis of 8-Br/NH2 adeninyl peptide nucleic acid (PNA) oligomers and complementation studies with DNA0 aIn situ onresin synthesis of 8BrNH2 adeninyl peptide nucleic aci aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcDEC a6560-65640 v513 a

A new, novel and efficient in situ synthesis of 8-aminoadeninyl PNA oligomers from corresponding 8-bromoadeninyl PNA oligomers is reported. The study of hybridisation properties of (8-Br/8-NH2) PNA oligomers with cDNA reveals substitution-site dependent stabilization of derived triplexes and duplexes. (C) 2010 Elsevier Ltd. All rights reserved.

1 aVysabhattar, Raman1 aGanesh, Krishna, N. uhttps://library.ncl.res.in/content/situ-resin-synthesis-8-brnh2-adeninyl-peptide-nucleic-acid-pna-oligomers-and-001848nas a2200229 4500008004100000022001400041245009800055210006900153260005700222300001200279490000700291520103600298653001701334653002001351653002101371653001901392653001901411653002101430100002501451700001901476856012301495 2010 eng d a0931-189000aIn vitro regeneration of semecarpus anacardium L. from axenic seedling-derived nodal explants0 aIn vitro regeneration of semecarpus anacardium L from axenic see a233 SPRING ST, NEW YORK, NY 10013 USAbSPRINGERcAUG a733-7420 v243 a

Semecarpus anacardium (Anacardiaceae), a deciduous forest tree, is a potent source of medicinal compounds. Poor seed viability of this species limits the conventional propagation practice. Proliferation of shoots from axillary meristem was achieved in semisolid WPM medium supplemented with BAP 4.44 mu M and KN 4.64 mu M. Factors including culture vessels, gelling agents and antioxidants were identified and optimized for proliferation and growth of shoots in vitro. Cotton-plugged culture vessels were more favorable. Phytagel 0.2% as gelling agent and activated charcoal 0.2% as antioxidant were superior to other agents and antioxidants tested. All the shoots rooted in half-strength WPM liquid medium with IBA 2.46 mu M. Rooted shoots survived (91%) in the soil-sand 1:1 mixture. Ex vitro rooting of shoots and hardening of plants were achieved in 80% of the explants in the soil-sand mixture. Hardened plants were maintained in a greenhouse. This is the first report on in vitro regeneration of Semecarpus anacardium.

10aAntioxidants10aCulture vessels10aEx vitro rooting10aGelling agents10aMedicinal tree10amicropropagation1 aPanda, Bhuban, Mohan1 aHazra, Sulekha uhttps://library.ncl.res.in/content/vitro-regeneration-semecarpus-anacardium-l-axenic-seedling-derived-nodal-explants-002966nas a2200229 4500008004100000022001400041245008000055210006900135260009000204300001200294490000800306520214900314653002102463653000802484653002802492653001202520653002102532100002602553700002802579700002802607856010102635 2010 eng d a0022-283600aIncrease in backbone mobility of the VTS1p-SAM domain on binding to SRE-RNA0 aIncrease in backbone mobility of the VTS1pSAM domain on binding  a24-28 OVAL RD, LONDON NW1 7DX, ENGLANDbACADEMIC PRESS LTD- ELSEVIER SCIENCE LTDcFEB a732-7460 v3963 a

The sterile alpha motif (SAM) domain of VTS1p, a posttranscriptional gene regulator, belongs to a family of SAM domains conserved from yeast to humans. Even though SAM domains were originally classified as protein-protein interaction domains, recently, it was shown that the yeast VTS1p-SAM and the SAM domain of its Drosophila homolog Smaug can specifically recognize RNA hairpins termed Smaug recognition element (SRE). Structural studies of the SRE-RNA complex of VTS1p-SAM revealed that the SAM domain primarily recognizes the shape of the RNA fold induced by the Watson-Crick base-pairing in the RNA pentaloop. Only the central G nucleotide is specifically recognized. The VTS1p-SAM domain recognizes SRE-RNAs with a CNGGN pentaloop where N is any nucleotide. The C1-G4 base pair in the wild type can be replaced by any pair of nucleotides that can form base pairs even though the binding affinity is greatest with a pyrimidine in position 1 and a purine in position 4. The interaction thus combines elements of sequence-specific and non-sequence-specific recognitions. The lack of structural rearrangements in either partner following binding is rather intriguing, suggesting that molecular dynamics may play an important role in imparting relaxed specificity with respect to the exact combination of nucleotides in the loop, except for the central nucleotide. In this work, we extend our previous studies of SRE-RNA interaction with VTS1p, by comparing the dynamics of the VTS1p-SAM domain both in its free form and when bound to SRE-RNA. The 1 5 N relaxation studies of backbone dynamics suggest the presence of a dynamic interaction interface, with residues associated with specific G3 recognition becoming more rigid on RNA binding while other regions attain increased flexibility. The results parallel the observations from our studies of dynamics changes in SRE-RNA upon binding to VTS1p-SAM and shows that molecular dynamics could play a crucial role in modulating binding affinity and possibly contribute to the free energy of the interaction through an entropy-driven mechanism. (C) 2009 Elsevier Ltd. All rights reserved.

10a(15)N relaxation10aNMR10aprotein-RNA interaction10aSRE-RNA10aVTS1p-SAM domain1 aRavindranathan, Sapna1 aOberstrass, Florian, C.1 aAllain, Frederic, H. T. uhttps://library.ncl.res.in/content/increase-backbone-mobility-vts1p-sam-domain-binding-sre-rna-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-001919nas a2200217 4500008004100000022001400041245008900055210006900144260006900213300001200282490000800294520115200302653001101454653001201465653001501477653002601492653001901518100002501537700002201562856011701584 2010 eng d a0254-058400aInfluence of palladium on gas-sensing performance of magnesium ferrite nanoparticles0 aInfluence of palladium on gassensing performance of magnesium fe aPO BOX 564, 1001 LAUSANNE, SWITZERLANDbELSEVIER SCIENCE SAcJAN a319-3230 v1193 a

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

10aDoping10aFerrite10aLPG sensor10aMolten salt synthesis10aNanostructures1 aDarshane, Sonali, L.1 aMulla, Imtiaz, S. uhttps://library.ncl.res.in/content/influence-palladium-gas-sensing-performance-magnesium-ferrite-nanoparticles-001450nas a2200169 4500008004100000022001400041245013200055210006900187260007300256300001200329490000800341520073500349100002501084700002601109700001601135856012901151 2010 eng d a0009-261400aInfluence of plane wave cut-off on structural and electronic properties in Sn-BEA and Ti-BEA zeolite water molecule interaction0 aInfluence of plane wave cutoff on structural and electronic prop aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcJAN a374-3790 v4843 a

Periodic systems are best described by the pseudo-potential methods. However, the accuracy of its description depends on the cut-off of plane wave basis. This is much more critical in the case of weak interactions, where a clear understanding on the influence of plane wave cut-off on the structural and electronic properties is not readily available in the literature. In the present work, we have taken a metal substituted beta zeolite-H2O complex for understanding this objective. Our studies show that while a lower cut-off of 500 eV is sufficient for the convergence of the structural parameters, description of energy-dependent properties necessitates a high cut-off value. (C) 2009 Elsevier B.V. All rights reserved.

1 aKulkarni, Bhakti, S.1 aKrishnamurty, Sailaja1 aPal, Sourav uhttps://library.ncl.res.in/content/influence-plane-wave-cut-structural-and-electronic-properties-sn-bea-and-ti-bea-zeolite-002307nas a2200205 4500008004100000022001400041245013300055210006900188260006800257300001400325490000800339520148100347653003401828653001901862653001501881653001701896100003101913700002501944856013201969 2010 eng d a0021-899500aInfluence of structure of organic modifiers and polyurethane on the clay dispersion in nanocomposites via in situ polymerization0 aInfluence of structure of organic modifiers and polyurethane on  a111 RIVER ST, HOBOKEN, NJ 07030 USAbJOHN WILEY & SONS INCcNOV a1774-17860 v1183 a

Influence of polyurethane (PU) structure on the nature of PU/clay nanocomposite was studied using varying amounts of trimethylol propane (TMP) as branching agent. The effect of hydroxyl groups in the modifier of organoclays on the structure of PU/clay nanocomposites was studied. Nanocomposites were characterized using wide-angle X-ray diffraction measurements (WAXD) and transmission electron microscopy (TEM). The results show that formation of completely exfoliated and well dispersed polyurethane/clay nanocomposites via in situ polymerization, is facilitated by the presence of tethering groups on the clay surface and an ability to form branched and crosslinked structures. Incorporation of long alkyl chains in addition to tethering hydroxyl groups in the modifier structure of the clay did not significantly improve the compatibility of linear PU with the clay. Intercalated thermoplastic polyurethane/clay nanocomposites, prepared using poly(caprolactone diol) as soft segment and isophorone diisocyanate and 1,4-butanediol as hard segments show increase in storage tensile moduli at temperatures before glass transition temperature when functional groups capable of chemically reacting with the growing polymer chains are present in the clay modifier. This is indicative of improved interaction of the polymer with the clay surface when the modifier has larger number of hydroxyl groups. (C) 2010 Wiley Periodicals, Inc. J Appl Polym Sci 118: 1774-1786, 2010

10aintercalation and exfoliation10aNanocomposites10aorganoclay10apolyurethane1 aRama, Mallikarjuna, Shroff1 aSwaminathan, Sivaram uhttps://library.ncl.res.in/content/influence-structure-organic-modifiers-and-polyurethane-clay-dispersion-nanocomposites-situ-001673nas a2200169 4500008004100000022001400041245009800055210006900153260007100222300001400293490000700307520099800314100002801312700002101340700002001361856012201381 2010 eng d a0887-062400aInfluence of surface hydrophobicity on the esterification of fatty acids over solid catalysts0 aInfluence of surface hydrophobicity on the esterification of fat a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcMAR a2154-21610 v243 a

The relative roles of surface acidity and hydrophobicity in the methylation of fatty acids (C(8) - C(18)) to the corresponding methyl esters were investigated over three solid acid catalysts: Fe-Zn double-metal cyanide (DMC), sulfated zirconia (SZ), and Al-MCM-41. The esterification reaction was faster and the apparent activation energy was lower over SZ and Al-MCM-41 than on DMC because of their higher acid strength, specific surface area, and pore diameter. Over SZ and Al-MCM-41, the apparent activation energy for esterification increased with the chain length of the fatty acid. A reverse trend, however, was observed over DMC. The relative adsorption of methanol and fatty acids (compared to water) was higher on DMC than on SZ and Al-MCM-41. Hence, in addition to the acidic and textural properties, surface hydrophobicity and relative surface coverage by reactants/products also play an important role in reactions of long-chain fatty acids with alcohols on solid catalysts.

1 aSatyarthi, Jitendra, K.1 aSrinivas, Darbha1 aRatnasamy, Paul uhttps://library.ncl.res.in/content/influence-surface-hydrophobicity-esterification-fatty-acids-over-solid-catalysts-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-001698nas a2200217 4500008004100000022001400041245011300055210006900168260009500237300001200332490000800344520091200352653001201264653001201276653001301288653000901301653000901310100001301319700002401332856012401356 2010 eng d a0012-160600aInteraction between ataxin-2 binding protein 1 and cubitus-interruptus during wing development in drosophila0 aInteraction between ataxin2 binding protein 1 and cubitusinterru a525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USAbACADEMIC PRESS INC ELSEVIER SCIENCEcMAY a389-3990 v3413 a

Animal growth and development is dependent on reiterative use of key signaling pathways such as Hedgehog (Hh) pathway. It is widely believed that Cubitus-interruptus (Ci) mediates all functions of Hh pathway. Here we report that CG32062, the Drosophila homologue of Ataxin-2 Binding Protein 1 (dA2BP1), functions as a cofactor of Ci to specify intervein region between L3 and L4 veins of the adult wing. Specifically, Ci-mediated transactivation of knot/collier (kn) in this region of the developing wing imaginal disc is dependent on dA2BP1 function. Protein interaction studies and chromatin-immunoprecipiation experiments suggest that Ci helps dA2BP1 to bind kn promoter, which in turn may help Ci to activate kn expression. These results suggest a mechanism by which Ci may activate targets such as kn, which do not have classical Ci/Gli-binding sites. (C) 2010 Elsevier Inc. All rights reserved.

10aCG3206210aCollier10aHedgehog10aKnot10aSCA21 aUsha, N.1 aShashidhara, L., S. uhttps://library.ncl.res.in/content/interaction-between-ataxin-2-binding-protein-1-and-cubitus-interruptus-during-wing-003017nas a2200277 4500008004100000022001400041245013800055210006900193260007700262300001400339490000700353520197800360653001002338653003002348653003402378653001102412653002102423653002902444100001902473700002802492700002102520700002502541700002102566700002002587856013202607 2010 eng d a1615-985300aInteraction of recombinant CanPIs with helicoverpa armigera gut proteases reveals their processing patterns, stability and efficiency0 aInteraction of recombinant CanPIs with helicoverpa armigera gut  aPO BOX 10 11 61, D-69451 WEINHEIM, GERMANYbWILEY-V C H VERLAG GMBHcJUL a2845-28570 v103 a

Six diverse representative Capsicum annuum (common name: hot pepper; Solanaceae) protease inhibitor genes, viz CanPI-5, -7, -13, -15, -19, and 22 comprising 1-4 inhibitory repeat domains (IRDs), were cloned and expressed in Pichia pastoris. The recombinant proteins were evaluated for their interactions with bovine trypsin, chymotrypsin, and Helicoverpa armigera gut proteases (HGP) using electrophoretic (native and denaturing) and mass spectrometric (MALDI-TOF-MS in combination with intensity fading assays) techniques. These techniques allow qualitative and semiquantitative analysis of multiple and processed IRDs of purified recombinant Capsicum annuum proteinase inhibitor (rCanPI) proteins. rCanPIs showed over 90% trypsin inhibition, varying chymotrypsin inhibition depending on the number of respective IRDs and over 60% inhibition of total HGP. rCanPI-15 that has only one IRD showed exceptionally low inhibition of these proteases. Interaction studies of rCanPIs with proteases using intensity fading-MALDI-TOF-MS revealed gradual processing of multi-IRD rCanPIs into single IRD forms by the action of HGP at the linker region, unlike their interactions with trypsin and chymotrypsin. Intensity fading-MALDI-TOF-MS assay showed that CanPI-13 and -15, possessing single IRD and expressed predominantly in stem tissue are degraded by HGP; indicating their function other than defense. In vitro and in vivo studies on rCanPI-5 and -7 showed maximum inhibition of HGP isoforms and their processed IRDs were also found to be stable in the presence of HGP. Even single amino acid variations in IRDs were found to change the HGP specificity like in the case of HGP-8 inhibited only by IRD-12. The presence of active PI in insect gut might be responsible for changed HGP profile. rCanPI-5 and -7 enhanced HGP-7, reduced HGP-4, -5, -10 expression and new protease isoforms were induced. These results signify isoform complexity in plant PIs and insect proteases.

10aCanPI10aH. armigera gut proteases10aIntensity fading MALDI-TOF-MS10aPin-II10aPlant proteomics10aPlant-insect interaction1 aMishra, Manasi1 aTamhane, Vaijayanti, A.1 aKhandelwal, Neha1 aKulkarni, Mahesh, J.1 aGupta, Vidya, S.1 aGiri, Ashok, P. uhttps://library.ncl.res.in/content/interaction-recombinant-canpis-helicoverpa-armigera-gut-proteases-reveals-their-processing-000961nas a2200145 4500008004100000245007700041210006900118260000800187300001600195490000700211520044700218100002200665700001900687856010900706 2010 eng d00aIntermolecular N-heterocyclic carbene-catalyzed hydroacylation of arynes0 aIntermolecular Nheterocyclic carbenecatalyzed hydroacylation of  cDEC a9761–97640 v493 a

A formal introduction: The conceptually new N-heterocyclic carbene catalyzed formal insertion of arynes into the Cformyl[BOND]H bond of aldehydes demonstrates the compatibility of nucleophilic NHCs with electrophilic arynes. This NHC-catalyzed hydroacylation of arynes allows the conversion of aliphatic, α,β-unsaturated, and aromatic aldehydes into aryl ketones; 27 examples and a preliminary mechanistic investigation are provided.

1 aBiju, Akkattu, T.1 aGlorius, Frank uhttps://library.ncl.res.in/content/intermolecular-n-heterocyclic-carbene-catalyzed-hydroacylation-arynes01739nas a2200241 4500008004100000022001400041245011700055210006900172260007700241300001200318520085800330653001401188653001801202653001401220653001301234653002201247653001301269653001301282100002101295700002301316700002701339856013101366 2010 eng d a1434-193X00aIntramolecular hydrogen abstraction in radicals derived from inositol 1,3-acetals: efficient access to cyclitols0 aIntramolecular hydrogen abstraction in radicals derived from ino aPO BOX 10 11 61, D-69451 WEINHEIM, GERMANYbWILEY-V C H VERLAG GMBHcFEB a755-7643 a

The benzylidene acetals obtained by cleavage of the orthobenzoate moiety in myo-mositol 1,3,5-orthobenzoate were used to prepare mono- as well as di-deoxy inositol derivatives via their xanthates. The dideoxygenation is a result of intramolecular abstraction of the benzylidene acetal hydrogen and subsequent cleavage of the acetal ring. Such a cleavage does not take place in analogous acetals derived from other orthoesters. The 1,3-acetals derived from myoinositol 1,3,5-orthoesters were also used to prepare neo-inositol and isomeric deoxy-amino inositols, Most of the reactions in these synthetic sequences starting from myo-inositol give one product in each step. The results presented here show that myo-inositol 1,3,5-orthobenzoate offers many advantages over other orthoesters for the synthesis of cyclitol derivatives from myo-inositol.

10acyclitols10aDeoxygenation10aInosamine10aInositol10aRadical reactions10aRadicals10aXanthate1 aMurali, Chebrolu1 aGurale, Bharat, P.1 aShashidhar, Mysore, S. uhttps://library.ncl.res.in/content/intramolecular-hydrogen-abstraction-radicals-derived-inositol-13-acetals-efficient-access-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-002150nas a2200217 4500008004100000022001400041245011100055210006900166260007300235300001200308490000800320520134100328653001401669653001901683653001901702653002201721653001301743100002801756700002201784856012601806 2010 eng d a0376-738800aInvestigation of gas permeation properties of systematically modified polybenzimidazoles by N-substitution0 aInvestigation of gas permeation properties of systematically mod aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcJUL a134-1420 v3573 a

Gas permeation behavior of a series of thermally stable N-substituted polybenzimidazoles by systematically varying bulk and flexibility of the substituent was investigated. Two different PBIs having variation in their acid moiety, viz., PBI-I (based on isophthalic acid) and PBI-BuI (based on 5-tert-butyl isophthalic acid) were selected for N-substitution by alkyl groups possessing different bulk and flexibility. These substituent groups were methyl, n-butyl, methylene trimethylsilane and 4-tert-butylbenzyl. Pure gas sorption and permeability using H(2), N(2), O(2), CH(4) and CO(2) were investigated and correlated with physical properties of formed polymers. Estimation of dual-mode sorption parameters, coefficients of sorption, permeability and diffusion for different gases provided an insight towards effects of nature of a substituent group and parent PBI on governing gas sorption and permeation properties. By changing the substituent group, diffusivity coefficients was found to vary to a larger extent than the solubility coefficient. This significantly enhanced gas permeability for different gases by 1.2-129 times than that of parent PBIs. The permselectivity P(O2)/P(N2) was increased (up to 237%), while for other gas pairs, it was decreased to a different extent. (C) 2010 Elsevier B.V. All rights reserved.

10aDiffusion10aGas permeation10aN-Substitution10aPolybenzimidazole10aSorption1 aKumbharkar, Santosh, C.1 aKharul, Ulhas, K. uhttps://library.ncl.res.in/content/investigation-gas-permeation-properties-systematically-modified-polybenzimidazoles-n-001629nas a2200181 4500008004100000245010100041210006900142260000800211490000800219520096000227100002001187700002001207700002001227700002401247700003001271700001601301856013001317 2010 eng d00aInvestigation of magnetic anisotropy in Co nanoparticles using ferromagnetic resonance technique0 aInvestigation of magnetic anisotropy in Co nanoparticles using f cJAN0 v2003 a

Using ferromagnetic resonance (FMR) technique, we have investigated the temperature dependence and angular dependence of line width and resonance magnetic field of Co nanoparticles capped with novel alkane carboxylic acids of varying chain lengths. The magnetic properties such as blocking temperature and anisotropy sensitively depend on the chain length as evidenced by the temperature dependence of line width. These results indicate that the magnetic properties of these samples are critically governed by the interparticle interactions which are decided by the chain length. The presence of anisotropy even up to very high temperature above the blocking temperature observed in these studies confirms the presence of inter-particle magnetic interactions as well as intra-particle exchange interaction between the core and shell regions as evidenced by our earlier ac susceptibility and transverse susceptibility measurements on similar system.

1 aSendilkumar, A.1 aKasture, Manasi1 aPatel, Pitamber1 aRamana, Chepuri, V.1 aPrasad, Bhagavatula L. V.1 aSrinath, S. uhttps://library.ncl.res.in/content/investigation-magnetic-anisotropy-co-nanoparticles-using-ferromagnetic-resonance-technique01477nas 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-001162nas a2200229 4500008004100000022001400041245005600055210005500111260011000166300001200276490000700288520037100295653002300666653002800689653001800717653003100735653002300766653001400789100002600803700001600829856008700845 2010 eng d a0376-471000aIonic liquids: new materials with wide applications0 aIonic liquids new materials with wide applications aDR K S KRISHNAN MARG, PUSA CAMPUS, NEW DELHI 110 012, INDIAbNATL INST SCIENCE COMMUNICATION-NISCAIRcMAY a635-6480 v493 a

Ionic liquids have emerged as possible substitutes for volatile organic solvents and have found many applications in a variety of research areas. In this review, an effort has been made to discuss the special properties of ionic liquids that render these unique solvent media useful in chemical transformations, electrochemical applications, extractions, etc.

10aChemical processes10aElectrochemical devices10aionic liquids10aPhysicochemical properties10aSolvent properties10aviscosity1 aKhupse, Nageshwar, D.1 aKumar, Anil uhttps://library.ncl.res.in/content/ionic-liquids-new-materials-wide-applications-000468nas a2200133 4500008004100000022001400041245003500055210003500090260008900125300000800214490000800222100003200230856007200262 2010 eng d a0036-807500aIrreverence and Indian science0 aIrreverence and Indian science a1200 NEW YORK AVE, NW, WASHINGTON, DC 20005 USAbAMER ASSOC ADVANCEMENT SCIENCEcAPR a5470 v3281 aMashelkar, Raghunath, Anant uhttps://library.ncl.res.in/content/irreverence-and-indian-science-001557nas a2200241 4500008004100000022001400041245015700055210006900212260010600281300001400387490000700401520056300408653002500971653002500996653002501021653002401046653003101070100002801101700002501129700002401154700001901178856011801197 2010 eng d a0040-402000aIsochroman- and 1,3-dihydroisobenzofuran-annulation on carbohydrate templates via [2+2+2]-cyclotrimerization and synthesis of some tricyclic nucleosides0 aIsochroman and 13dihydroisobenzofuranannulation on carbohydrate  aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcAUG a6085-60960 v663 a

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

10aDihydroisobenzofuran10aDihydroisobenzopyran10aModified nucleosides10aVorbruggen reaction10a[2+2+2] cyclotrimerization1 aSuryawanshi, Sharad, B.1 aDushing, Mangesh, P.1 aGonnade, Rajesh, G.1 aRamana, C., V. uhttps://library.ncl.res.in/content/isochroman-and-13-dihydroisobenzofuran-annulation-carbohydrate-templates-222-002169nas 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-002238nas a2200181 4500008004100000022001400041245012200055210006900177260007100246300001400317490000800331520151200339100002001851700001701871700001501888700002701903856012601930 2011 eng d a1520-610600aIdentification of sublattice damages in swift heavy ion irradiated N-doped 6H-SiC polytype studied by solid state NMR0 aIdentification of sublattice damages in swift heavy ion irradiat a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcJUN a7766-77720 v1153 a

We have studied N-doped 6H-SiC in its pristine and Swift Heavy Ion (SHI) irradiated (150 MeV Ag12+ ions) forms by solid state Nuclear Magnetic Resonance (NMR) at 7.01 T using C-13 and Si-29 as probe nuclei under magic angle spinning. We show that increased levels of nitrogen doping, than used before, lead to the observation of Knight shifts emanating from an increase in electron density in the conduction band, which in C-13 far exceed those in Si-29 MAS spectra. We have rationalized the differential effects in the MAS spectra and site-dependent paramagnetic shifts in terms of the nitrogen doping at the A, B, and C lattice sites. N-doping has a profound effect on Si-29 spin-lattice relaxation, and the site-dependent relaxation behavior is attributed to a difference in conduction electron properties at the different lattice sites. Si-29 T-1 measurements serve to identify the sublattice damages in SHI irradiated 6H-SiC. By determining the spin-lattice relaxation rates as a function of the SHI irradiation ion fluences, the change in relaxation behavior is correlated to the damage production mechanism. The sublattice damage leads to discernable changes in the interaction between the mobile unpaired electrons in the conduction band and the nuclear site, which profoundly influence the NMR relaxation properties. Our relaxation studies also provide evidence for site-dependent localized effects and a decrease in carrier spin density in the conduction band for the SHI irradiated 6H-SiC.

1 aViswanathan, E.1 aKanjilal, D.1 aSivaji, K.1 aGanapathy, Subramanian uhttps://library.ncl.res.in/content/identification-sublattice-damages-swift-heavy-ion-irradiated-n-doped-6h-sic-polytype-000956nas a2200157 4500008004100000022001400041245007900055210006900134260007100203300001400274490000700288520035700295100001900652700002500671856010200696 2011 eng d a1523-706000aIminium ion cascade reaction in the total synthesis of (+)-vincadifformine0 aIminium ion cascade reaction in the total synthesis of vincadiff a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcSEP a4672-46750 v133 a

An iminium ion triggered cascade reaction is described in the total synthesis of (+)-vincadifformine by the coupling of 3,3-substituted tetrahydropyridine and indole derivative. The strategy allows simultaneous construction of two new rings, three new sigma bonds, and two new stereogenic centers in one pot with complete stereochemical control.

1 aPandey, Ganesh1 aKumara, Prasanna, C. uhttps://library.ncl.res.in/content/iminium-ion-cascade-reaction-total-synthesis-vincadifformine-001453nas a2200229 4500008004100000022001400041245016900055210006900224260007300293300001200366490000800378520054500386653000600931653000600937653003700943653003600980653002501016653002101041100002001062700001701082856012401099 2011 eng d a0926-860X00aImmobilization of 1,5,7-triazabicyclo [4.4.0] dec-5-ene over mesoporous materials: an efficient catalyst for michael-addition reactions under solvent-free condition0 aImmobilization of 157triazabicyclo 440 dec5ene over mesoporous m aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcAPR a250-2580 v3973 a

Immobilization of 1,5,7-triazabicyclo [4.4.0] dec-5-ene (TBD, a bicylic guanidine base) over mesoporous material like SBA-15 has been found to be an excellent catalyst for Michael-addition of beta-nitro styrene with malonate. The reactions were performed under solvent-free condition at 373 K for 9 h. A wide variety of Michael donors and acceptors were investigated. Among them, high yield of Michael product was obtained for the reaction between p-Cl-nitrostyrene with dimethyl malonate. (C) 2011 Elsevier B.V. All rights reserved.

10a110a510a7-triazabicyclo[4.4.0] dec-5-ene10abeta-nitro styrene and malonate10amesoporous materials10aMichael-addition1 aKalita, Pranjal1 aKumar, Rajiv uhttps://library.ncl.res.in/content/immobilization-157-triazabicyclo-440-dec-5-ene-over-mesoporous-materials-efficient-001601nas a2200205 4500008004100000022001400041245008700055210006900142260008000211300001400291490000700305520083500312653002201147653002701169653001901196653001901215100001801234700002501252856011801277 2011 eng d a1582-959600aImmobilization of conidiobolus coronatus alkaline protease on waste fungal biomass0 aImmobilization of conidiobolus coronatus alkaline protease on wa a71 MANGERON BLVD, IASI, 700050, ROMANIAbGH ASACHI TECHNICAL UNIV IASIcNOV a1727-17320 v103 a

Alkaline protease from Conidiobolus coronatus which is optimally active at pH 10 and 40 degrees C finds application in leather and detergent industries as well as for recovery of silver from waste photographic films. The protease was immobilized in Ca-alginate, polyacrylamide gel and alkali treated waste fungal biomass (ATWFB). ATWFB was found to be most suitable among the matrices tested. Glutaraldehyde marginally increased the binding to ATWFB. Binding of protease to ATWFB seems to be through adsorption as confirmed by FTIR spectra. Though temperature optima of free and immobilized proteases were identical, optimum pH of the immobilized enzyme shifted to 11 from 10. Temperature stability of the protease increased after immobilization. Immobilized protease could be reused 3 times with marginal loss in activity.

10aAlkaline Protease10aConidiobolus coronatus10afungal biomass10aImmobilization1 aShankar, Shiv1 aLaxman, Ryali, Seeta uhttps://library.ncl.res.in/content/immobilization-conidiobolus-coronatus-alkaline-protease-waste-fungal-biomass-002675nas a2200205 4500008004100000022001400041245013400055210006900189260011000258300001400368490000700382520180100389100002102190700002602211700002702237700002202264700002402286700003002310856012902340 2011 eng d a0959-942800aImproved performance of phosphonated carbon nanotube-polybenzimidazole composite membranes in proton exchange membrane fuel cells0 aImproved performance of phosphonated carbon nanotubepolybenzimid aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcAPR a7223-72310 v213 a

Development of thermally stable polymer electrolyte membranes with higher proton conductivity as well as mechanical stability is a key challenge in commercializing PEM fuel cells operating above 100 degrees C. Polybenzimidazole membranes are one of the promising candidates in this category although with limited mechanical stability and moderate proton conductivity. Here the incorporation of functionalized MWCNT is shown to increase both these key parameters of the polybenzimidazole membranes. Further, formation of a domain like structure after the incorporation of phosphonated MWCNTs (P-MWCNTs) in phosphoric acid doped polybenzimidazole membranes is demonstrated. The enhanced performance has been attributed to the formation of proton conducting networks that formed along the sidewalls of P-MWCNTs with a domain size of 17 nm as estimated from the small angle X-ray scattering measurements. Membrane electrode assembly (MEA) impedance measurements further reveal that the activation energy of oxygen reduction reaction (ORR) reduced for the composite membranes with enhanced proton conductivity. In addition, the mechanical strength measurements reveal a significant improvement in the yield strength and ultimate strength. Also, the mechanical strength of the composite membrane has been increased significantly as indicated by the improvement in the ultimate strength from 65 MPa to 100 MPa for the pristine and composite membranes, respectively. The optimum loading of P-MWCNTs is found to be 1% as inferred from the polarization measurements carried out using pure hydrogen and oxygen. Thus, this study provides a unique opportunity to tune the properties of polymer electrolytes to prepare application oriented hybrid membranes using CNTs with tailor-made functional groups.

1 aKannan, Ramaiyan1 aKagalwala, Husain, N.1 aChaudhari, Harshal, D.1 aKharul, Ulhas, K.1 aKurungot, Sreekumar1 aPillai, Vijayamohanan, K. uhttps://library.ncl.res.in/content/improved-performance-phosphonated-carbon-nanotube-polybenzimidazole-composite-membranes-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-001922nas a2200229 4500008004100000022001400041245014000055210006900195260007300264300001000337490000800347520104900355653001701404653002201421653002201443653002001465100002201485700001701507700002401524700001801548856012601566 2011 eng d a0926-860X00aIn situ encapsulation of Pt nanoparticles in mesoporous silica: synthesis, characterisation and effect of particle size on CO oxidation0 aIn situ encapsulation of Pt nanoparticles in mesoporous silica s aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcAUG a91-970 v4033 a

Pt nanoparticles of narrow size distribution and average particle size of 4.4 nm are isolated exclusively inside SBA-12 mesoporous silica by a novel in situ method. The interaction of Pt precursor with surfactant-polymer composite micelle is followed by NMR and UV studies. The final Pt incorporated silica material is characterised by XRD, TEM and N(2) adsorption. The mesoporous nature of the silica is found to be intact after Pt incorporation without any pore blockage. CO oxidation activity of this material is compared with that of mesoporous silica incorporating different sizes of Pt viz., 1.8, 3.6 and 8 nm. Activation energies of CO oxidation for all these materials are calculated by a simple differential method based on first principles. A comparison of activation energies and single site yields reveals that these parameters are distinguishably less in catalyst containing 1.8 nm Pt nanoparticles but more or less same in catalysts containing 3.6, 4.4 and 8 nm Pt nanoparticles. (C) 2011 Elsevier B.V. All rights reserved.

10aCO oxidation10aIn situ synthesis10aMesoporous silica10aPt nanoparticle1 aPrashar, Atul, K.1 aMayadevi, S.1 aRajamohanan, P., R.1 aDevi, Nandini uhttps://library.ncl.res.in/content/situ-encapsulation-pt-nanoparticles-mesoporous-silica-synthesis-characterisation-and-001822nas a2200229 4500008004100000022001400041245009900055210006900154260007300223300001000296490000800306520100300314653000801317653002101325653001401346653002001360653001301380100002501393700002001418700002901438856012501467 2011 eng d a1387-181100aIncorporation of zirconium in medium-pore aluminophosphate molecular sieves with AFO framework0 aIncorporation of zirconium in mediumpore aluminophosphate molecu aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcJAN a65-710 v1373 a

Zirconium substituted medium pore microporous aluminophosphate molecular sieve ZrAPO-41 was prepared by hydrothermal synthesis under autogenous pressure The formation of the pure phase was confirmed by powder X-ray diffraction (XRD) and scanning electron microscopy (SEM)The thermal behaviour of the material was investigated by carrying out thermogravimetric/differential thermal analysis (TGA/DTA) The zirconium environment was studied by magic-angle spinning nuclear magnetic resonance (MAS NMR) spectroscopy which suggests incorporation of zirconium into the framework UV-Visible diffuse reflectance study also supports the claim The temperature programmed desorption (TPD) of ammonia reveals that the acidity of ZrAPO 41 samples is higher than that of pure AlPO4-41 The catalytic activity of the samples was investigated through phenol hydroxylation reaction The result show hi E her catalytic activity for ZrAPO-41 samples compared to AlPO4-41 (C) 2010 Elsevier Inc All rights reserved

10aAFO10aAluminophosphate10acatalysis10aMolecular sieve10aZrAPO 411 aChakrabortty, Dhruba1 aGanguli, J., N.1 aSatyanarayana, C., V. V. uhttps://library.ncl.res.in/content/incorporation-zirconium-medium-pore-aluminophosphate-molecular-sieves-afo-framework-002153nas a2200217 4500008004100000022001400041245013300055210006900188260007600257300001000333490000700343520128600350653002901636653002101665653002401686653002401710653003001734100002001764700001901784856013201803 2011 eng d a0885-451300aIncrease in efficiency of media utilization for recombinant protein production in Chinese hamster ovary culture through dilution0 aIncrease in efficiency of media utilization for recombinant prot aCOMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USAbWILEY-BLACKWELLcJAN a25-310 v583 a

Animal cells are extensively used for the large-scale production of recombinant proteins. Processes and genetically engineered cell lines have been developed to enhance longevity of the culture and increase protein productivity. In this study, we tested the effect of diluting a culture of Chinese hamster ovary (CHO) cells with phosphate-buffered saline (PBS) on cell growth and efficiency of media utilization. An immunoglobulin G-expressing CHO cell line was cultured in CD CHO media followed by dilution of the culture with PBS after the end of the exponential phase. A 28% and 61% increase in protein yield per milliliter of media was observed in the diluted culture in the batch and fed-batch mode with glucose and protein hydrolysate feeding, respectively. To aid in analyzing the potential causes of this observed increase, an unstructured mathematical model was constructed using previously reported kinetics to simulate cell growth, nutrient utilization, and protein production. The model predicts an increase in recombinant protein yield per milliliter of media in PBS diluted cultures under both batch and fed-batch conditions, and suggests that this observed increase could at least partly be due to a decrease in inhibitor concentration in the diluted culture.

10achemically defined media10aculture dilution10aglucose consumption10ainhibitor formation10arecombinant protein yield1 aThombre, Shreya1 aGadgil, Mugdha uhttps://library.ncl.res.in/content/increase-efficiency-media-utilization-recombinant-protein-production-chinese-hamster-ovary-002093nas a2200217 4500008004100000022001400041245012400055210006900179260008000248300001400328490000700342520122700349653002401576653002701600653002201627653001701649653002301666100002101689700003301710856013201743 2011 eng d a0137-588100aInfluence of abiotic elicitation on production of dipyranocoumarins in suspension cultures of calophyllum inophyllum L.0 aInfluence of abiotic elicitation on production of dipyranocoumar aTIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANYbSPRINGER HEIDELBERGcNOV a2149-21580 v333 a

Effects of elicitation with heavy metals such as copper, cadmium, chromium (abiotic elicitation) and supplementation of CaCl(2) on production of dipyranocoumarins (inophyllums) in suspension cultures of leaf and stem callus of Calophyllum inophyllum were studied. The optimum timing for elicitor introduction was found to be the 10th day after initiating the suspension cultures. Cadmium as abiotic elicitor in suspension cultures of stem callus was found best to elicit maximum production of inophyllums A, C, and calophyllolide while cadmium in suspension cultures of leaf callus was found best for eliciting maximum production of inophyllums B and P. Inophyllum D was the only dipyranocoumarin whose highest production was achieved when 1.0 mM chromium was used as abiotic elicitor in suspension cultures of stem callus. Out of the three abiotic elicitors used, none could result biomass growth. Only incorporation of CaCl(2) in suspension cultures resulted biomass growth. A maximum of 35.26-fold biomass growth was achieved when suspension cultures of stem callus were incorporated with 2.0 mM CaCl(2). CaCl(2) was noted to have no positive influence on production of most of the dipyranocoumarins under study.

10aAbiotic elicitation10aCalophyllum inophyllum10adipyranocoumarins10aHeavy metals10aSuspension culture1 aPawar, Kiran, D.1 aThengane, Shubhada, Ratnakar uhttps://library.ncl.res.in/content/influence-abiotic-elicitation-production-dipyranocoumarins-suspension-cultures-calophyllum-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-002441nas a2200205 4500008004100000022001400041245009400055210006900149260009900218300001400317490000700331520167100338653001902009653001902028653001702047100001202064700002102076700002002097856011802117 2011 eng d a0032-386100aInfluence of carbon-based nanofillers on the melt flow singularity of linear polyethylene0 aInfluence of carbonbased nanofillers on the melt flow singularit aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLANDbELSEVIER SCI LTDcJUN a3163-31740 v523 a

A quantitative power law relationship between molecular weight and flow criticalities is uncovered that links stick-slip theory with the melt flow singularity observed during capillary flow. The singularity arises from decrease in pressure during melt flow of linear polyethylene through capillary die in a narrow temperature window. The molecular origin of the window effect is attributed to slip flow arising from disengagement of chains adsorbed to melt-wall interface from free chains in melt. Considering the similar molecular configuration of the linear polyethylene and carbon nanotubes (CNTs), the stretched chain conformation of the adsorbed chains in the presence of CNTs is influenced. The potential to broaden the window temperature interval in the presence of CNTs is explored. For the study, multi-walled carbon nanotubes (MWCNTs) are added in the linear polyethylene. The influence of the filler aspect ratio on the window effect is further investigated in the presence of carbon black (CBs). The presence of MWCNTs broadens the window temperature interval and increases the decrease in pressure. Contrary to MWCNTs in the presence of CBs the extrusion window narrows and reduction in the pressure-decrease occurs. It is also found that the two carbon nanofillers have a significant impact on flow-induced solidification. Both, the crystallisation rate and the onset temperature of crystallisation, increase with the loading of the two nanofillers. A closer comparison between the two carbon nanofillers at the same loading suggests that the crystallisation is more influenced in MWCNT-PE composites. (C) 2011 Elsevier Ltd. All rights reserved.

10aCapillary flow10aCarbon fillers10aPolyethylene1 aXu, Han1 aLele, Ashish, K.1 aRastogi, Sanjay uhttps://library.ncl.res.in/content/influence-carbon-based-nanofillers-melt-flow-singularity-linear-polyethylene-001725nas a2200169 4500008004100000022001400041245009500055210006900150260006700219300001400286490000700300520105700307100001801364700002701382700002701409856011901436 2011 eng d a0032-388800aInfluence of DMDBS on the morphology and mechanical properties of polypropylene cast films0 aInfluence of DMDBS on the morphology and mechanical properties o a111 RIVER ST, HOBOKEN 07030-5774, NJ USAbWILEY-BLACKWELLcOCT a2013-20230 v513 a

We investigate extrusion film casting (EFC) of polypropylene (PP) and examine the effects of varying the concentration of nucleating agent, dimethyl dibenzylidene sorbitol (DMDBS); melt temperature at the die exit; and the draw ratio. Addition of DMDBS increases the PP crystallization temperature, and consequently the PP lamellar repeat spacing. For the draw ratios explored, we do not observe any substantial orientation of iPP crystals for films of neat iPP. However, addition of DMDBS results in the formation of oriented PP crystals, with greater orientation for higher draw ratios. On cooling from the melt, a network of DMDBS nanofibers forms in the PP. We believe that flow-alignment of this DMDBS network templates the orientation of PP crystals. We observe that the tensile modulus and yield stress increase with PP crystal orientation. However, at high DMDBS concentrations (0.8%), films have poor mechanical strength due to formation of voids and defects. POLYM. ENG. SCI., 51:2013-2023, 2011. (C) 2011 Society of Plastics Engineers

1 aSreenivas, K.1 aPol, Harshawardhan, V.1 aKumaraswamy, Guruswamy uhttps://library.ncl.res.in/content/influence-dmdbs-morphology-and-mechanical-properties-polypropylene-cast-films-002536nas a2200241 4500008004100000022001400041245012700055210006900182260007400251300001200325490000800337520161800345653002301963653002701986653002102013653001502034653002402049100002102073700002002094700002402114700003302138856012302171 2011 eng d a0167-685700aInfluence of endophytic fungal elicitation on production of inophyllum in suspension cultures of Calophyllum inophyllum L.0 aInfluence of endophytic fungal elicitation on production of inop aVAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDSbSPRINGERcAUG a345-3520 v1063 a

The influence of dried cell powder and culture filtrates of endophytic fungi on production of inophyllum in cell suspension cultures of leaf- and stem-derived callus of Calophyllum inophyllum was investigated. Two fungi, Nigrospora sphaerica and Phoma spp., endophytic to C. inophyllum, were isolated from leaf tissues, and were identified by both 18S rRNA gene amplification and sequencing. Elicitation of suspension cultures of both callus types of C. inophyllum with dried cell powder and culture filtrates of both fungi consistently elicited production of inophyllum A, B, C, and P. In comparison to stem-derived callus, suspension cultures of leaf-derived callus enhanced production of most inophyllum. Of the four inophyllum studied, the highest production of inophyllum A, C, and P was achieved in elicited suspension cultures of leaf-derived callus. Suspension cultures of stem-derived callus enhanced production only of inophyllum B. When suspension cultures of leaf-derived callus were elicited with 40 mg dried cell powder of Phoma spp., a level of 751-fold (6.84 mg/100 g elicited biomass) of inophyllum A was produced, compared to control. Whereas, a level of 414-fold (6.22 mg/100 g elicited biomass) of inophyllum B was produced when suspension cultures of stem-derived callus were elicited with 20 mg dried cell powder of N. sphaerica. When compared to control, a 10% culture filtrate of N. sphaerica in suspension cultures of leaf-derived callus elicited inophyllum C and P production by 928-fold (7.43 mg/100 g elicited biomass) and 750-fold (1.5 mg/100 g elicited biomass), respectively.

10aBiotic elicitation10aCalophyllum inophyllum10aEndophytic fungi10aInophyllum10aSuspension cultures1 aPawar, Kiran, D.1 aYadav, Amit, V.1 aShouche, Yogesh, S.1 aThengane, Shubhada, Ratnakar uhttps://library.ncl.res.in/content/influence-endophytic-fungal-elicitation-production-inophyllum-suspension-cultures-002692nas a2200241 4500008004100000022001400041245013400055210006900189260010800258300001000366490000700376520174000383653002402123653001902147653002602166653002902192653002102221100002002242700002102262700002102283700001702304856012902321 2011 eng d a1356-536200aInfluence of Mg2+ substitution on the magnetic and electrical properties of Li-Zn ferrite thick films synthesized with PVA matrix0 aInfluence of Mg2 substitution on the magnetic and electrical pro aHOWARD HOUSE, WAGON LANE, BINGLEY BD16 1WA, W YORKSHIRE, ENGLANDbEMERALD GROUP PUBLISHING LIMITEDcJAN a58-650 v283 a

Purpose - The purpose of this paper is to investigate the effect of Mg2+ substitution on the magnetic and electrical properties of Li0.35-x Mg-2x Zn-0.3 Fe2.35-xO4 thick films synthesized with polyvinyl alcohol (PVA) matrix. Design/methodology/approach - The nanoferrites Li0.35-x Mg-2x Zn-0.3 Fe2.35-xO4 (x = 0, 0.07, 0.14, 0.21, 0.28 and 0.35) were synthesized by chemical technique using aqueous solution of PVA (the matrix) and thick films were fabricated by screen printing technique. The DC magnetic hysteresis measurements, AC magnetic susceptibility and DC electrical resistivity were measured as a function of temperature. Findings - The lattice parameter of thick film Li0.35-x Mg-2x Zn-0.3 Fe2.35-xO4 (x = 0, 0.07, 0.14, 0.21, 0.28 and 0.35) increases with the substitution of Mg2+ ions for Li1+ and Fe3+. The surface morphology of the thick films showed the grain size increasing with Mg2+ substitution till x = 0.21 and then decreasing for the higher concentrations of magnesium. The magnetic moment n(B) (mu(B)) computed from the M-s obtained by extrapolation of the magnetization curve showed a gradual decrease with the composition till x = 0.21, beyond which a sudden decrease was observed. The resistivity of the films at room temperature had variation with composition x, similar to that of magnetic moment. The activation energies Delta E-F and Delta E-P were found to vary with composition x of the ferrite system. Originality/value - The paper reports, for the first time, the magnetic and electrical properties of fritless Li0.35-xMg2xZn0.3Fe2.35-xO4 thick films using PVA polymer matrix. Up to x = 0.21 (Mg2+), grain size increases and Curie temperature decreases beyond which reverse effect takes place.

10aAlternating current10aDirect current10aElectrical properties10aFilms (states of matter)10aMagnetic moments1 aRendale, M., K.1 aKulkarni, S., D.1 aKulkarni, D., C.1 aPuri, Vijaya uhttps://library.ncl.res.in/content/influence-mg2-substitution-magnetic-and-electrical-properties-li-zn-ferrite-thick-films-002507nas a2200265 4500008004100000022001400041245010100055210006900156260007600225300001400301490000700315520155300322653002201875653003001897653001901927653001801946653001301964653003201977100002202009700002202031700002002053700002402073700002002097856012402117 2011 eng d a0959-810300aInfluence of reactive compatibilization on the structure and properties of PP/LDH nanocomposites0 aInfluence of reactive compatibilization on the structure and pro aCOMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USAbWILEY-BLACKWELLcDEC a1688-16960 v603 a

Polypropylene (PP)/layered double hydroxide (LDH) nanocomposites were prepared by the direct melt intercalation method usingmaleic anhydride grafted polypropylene (PP-g-MAH) as a reactive compatibilizer. The compatibilization effects provided by PP-g-MAH in different weight fractions and their influence on the structure and properties of the final nanocomposites were investigated. The interactions and structural morphology of the nanocomposites were examined by Fourier transform infrared spectroscopy, X-ray diffraction and transmission electronmicroscopy. Thermal, mechanical and rheological properties of these nanocomposites were investigated as a function of compatibilizer concentration. The detailed morphological and X-ray diffraction results revealed that the degree of LDH dispersion increases as the amount of PP-g-MAH increases. Study of the linear viscoelastic properties showed that the storage modulus G' is very sensitive to the microstructure of the nanocomposite. The thermal properties of the nanocomposites were significantly influenced by the weight fraction of PP-g-MAH due to the shielding and nucleating effect of exfoliated layers. Both the tensile strength and modulus showed substantial improvements with increasing PP-g-MAH content, while the elongation at break substantially decreased, although the presence of PP-gMAH somewhat improves these values. The overall results showed that 10 wt% of compatibilizer is optimum to achieve nanocomposites with better performance. (C) 2011 Society of Chemical Industry

10acompatibilization10alayered double hydroxides10aNanocomposites10apolypropylene10aRheology10athermomechanical properties1 aLonkar, Sunil, P.1 aTherias, Sandrine1 aLeroux, Fabrice1 aGardette, Jean, Luc1 aSingh, Raj, Pal uhttps://library.ncl.res.in/content/influence-reactive-compatibilization-structure-and-properties-ppldh-nanocomposites-002457nas a2200157 4500008004100000245019700041210006900238260000800307300001600315520175900331100002102090700002202111700001702133700002602150856012302176 2011 eng d00aInterfacial electron transfer dynamics of two newly synthesized catecholate bound ruII polypyridyl-based sensitizers on TiO2 nanoparticle surface - a femtosecond pump probe spectroscopic study0 aInterfacial electron transfer dynamics of two newly synthesized  cSEP a4187–41973 a

Two new catecholate-bound RuII–polypyridine based sensitizers, (2,2′-bipyridine){ethyl 3-(4-hydroxyphenyl)-2-[(4′-methyl-2,2′-bipyridinyl-4-carbonyl)amino]propionate}{4-[2-(4′-methyl-2,2′-bipyridinyl-4-yl)vinyl]benzene-1,2-diol)}ruthenium(II) hexafluorophosphate (5) and [(2,2′-bipyridine)-(4-2,2′-bipyridinyl-4-yl-phenol)-(4-{2-(4′-methyl-2,2′-bipyridinyl-4-yl)vinyl}benzene-1,2-diol)]ruthenium(II) hexafluorophosphate (6) with secondary electron-donating groups (tyrosine and phenol, respectively) were synthesized and characterized. Steady-state optical absorption and emission studies confirm strong coupling between the sensitizers and TiO2 nanoparticles. Femtosecond visible transient absorption spectroscopy has been employed to study interfacial electron transfer (IET) dynamics in the dye–nanoparticle systems to explore the influence of the secondary electron-donating groups on IET dynamics. Electron injection into the conduction band of nanoparticulate TiO2 has been confirmed by detection of the conduction band electrons in TiO2 ([e–]TiO2CB) and radical cation of the adsorbed dye (D·+) in real time monitored by transient absorption spectroscopy. A single exponential and pulse-width limited (< 100 fs) electron injection has been observed. Back electron transfer (BET) dynamics have been studied by monitoring the decay kinetics of the injected electron in the conduction band of TiO2 and by the recovery of the ground state bleach. BET dynamics in dye–TiO2 systems for complexes 5 and 6 have been compared with those of [bis(2,2′-bpy)-(4-{2-(4′-methyl-2,2′-bipyridinyl-4-yl)vinyl}benzene-1,2-diol)]ruthenium(II) hexafluorophosphate (7), which does not have a secondary electron-donating group.

1 aBanerjee, Tanmay1 aRawalekar, Sachin1 aDas, Amitava1 aGhosh, Hirendra, Nath uhttps://library.ncl.res.in/content/interfacial-electron-transfer-dynamics-two-newly-synthesized-catecholate-bound-ruii02046nas a2200169 4500008004100000022001400041245018900055210006900244260011000313300001400423490000700437520122600444100002701670700002701697700002501724856012701749 2011 eng d a1466-803300aIntermolecular benzoyl group transfer reactivity in crystals of racemic 2,6-di-O-benzoyl-myo-inositol 1,3,5-orthobenzoate: controlling reactivity by solvate (pseudopolymorph) formation0 aIntermolecular benzoyl group transfer reactivity in crystals of  aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcMAY a3258-32640 v133 a

Racemic 2,6-di-O-benzoyl-myo-inositol 1,3,5-orthobenzoate (rac-3), which usually crystallizes in a monoclinic lattice (Form I, P2(1)/c) from common organic solvents, when crystallized from 2-propanol yielded concomitantly, thin whisker like crystals (Form II, triclinic, P (1) over bar) with inclusion of 2-propanol and water molecules, along with the Form I crystals. Thin fibre-like crystals were also obtained on crystallization from toluene, with inclusion of toluene and water in the crystal lattice (Form III). The Form II and Form III crystals could be converted into the Form I crystals thermally via melt crystallization. Form I crystals exhibit a facile transesterification reaction, but the solvated crystals are unreactive under the same conditions until their transformation to the reactive form. The reactivity patterns of the Form I and Form II crystals correlate well with the molecular organization in them. Since reactivity of the crystals of rac-3 depends on the solvent and the method of crystallization, and the thermal transition of one crystal form to the other, these phase changes can be used as a switch to control the benzoyl transfer reactivity of the constituent molecules in crystals.

1 aKrishnaswamy, Shobhana1 aShashidhar, Mysore, S.1 aBhadbhade, Mohan, M. uhttps://library.ncl.res.in/content/intermolecular-benzoyl-group-transfer-reactivity-crystals-racemic-26-di-o-benzoyl-myo-001234nas a2200217 4500008004100000022001400041245013500055210006900190260007500259300001400334520036800348653002900716653001400745653001900759653002700778653001400805653002000819100002600839700001900865856013200884 2011 eng d a0039-788100aIntramolecular chemoselective acylation of a suitably substituted isoindole: synthesis of (+/-)-chilenine and (+/-)-deoxychilenine0 aIntramolecular chemoselective acylation of a suitably substitute aRUDIGERSTR 14, D-70469 STUTTGART, GERMANYbGEORG THIEME VERLAG KGcSEP a2838-28423 a

Starting from 3,4-dimethoxyhomophthalic anhydride and 6-bromohomopiperonylamine, concise and efficient syntheses of Chilean berberis products chilenine and deoxychilenine have been demonstrated via partially divergent routes by taking advantage of facile air-oxidation of homophthalimide along with intramolecular chemoselective acylation as the key steps.

10achemoselective acylation10achilenine10adeoxychilenine10ahomophthalic anhydride10aisoindole10aTotal synthesis1 aWakchaure, Prasad, B.1 aArgade, N., P. uhttps://library.ncl.res.in/content/intramolecular-chemoselective-acylation-suitably-substituted-isoindole-synthesis-chilenine-001700nas a2200181 4500008004100000022001400041245013500055210006900190260012500259300001100384490000800395520091000403100001901313700001801332700002101350700001801371856012901389 2011 eng d a0021-897900aInvestigation of poly(o-anisidine)-SnO2 nanocomposites for fabrication of low temperature operative liquefied petroleum gas sensor0 aInvestigation of polyoanisidineSnO2 nanocomposites for fabricati aCIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USAbAMER INST PHYSICScDEC a1245010 v1103 a

Poly(o-anisidine)-tin oxide (POA-SnO2) nanocomposites has been investigated for the fabrication of low temperature operative (100 degrees C) liquefied petroleum gas (LPG) sensor. The POA-SnO2 nanocomposites have been synthesized through an in situ chemical polymerization of o-anisidine in presence of SnO2 nanoparticles. The POA-SnO2 nanocomposite shows better LPG sensing properties than that of pure POA. The nanocomposite with 50 wt. % SnO2 exhibits an excellent LPG sensing characteristics at the operating temperature of 100 degrees C such as higher relative gas response (similar to 23.47% to 3.4% of LPG), extremely rapid response (similar to 6 s), fast recovery (similar to 33 s), good reproducibility, and remarkable selectivity. The application of POA-SnO2 nanocomposites for fabrication of the LPG sensor was demonstrated. (C) 2011 American Institute of Physics. [doi:10.1063/1.3667107]

1 aPatil, Dewyani1 aKolhe, Kishor1 aPotdar, Hari, S.1 aPatil, Pradip uhttps://library.ncl.res.in/content/investigation-polyo-anisidine-sno2-nanocomposites-fabrication-low-temperature-operative-001374nas a2200241 4500008004100000022001400041245009000055210006900145260007300214300001200287490000800299520050700307653002600814653003700840653001200877100002400889700001500913700001500928700002300943700002900966700001800995856011901013 2011 eng d a0304-399100aInvestigation of wustite (Fe1-xO) by femtosecond laser assisted atom probe tomography0 aInvestigation of wustite Fe1xO by femtosecond laser assisted ato aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcMAY a584-5880 v1113 a

In this paper, we report results obtained from laser assisted three-dimensional (3-D) atom probe tomography (APT) on wustite (Fe1-xO). Oxides are generally insulating and hence hard to analyse in conventional electrical assisted APT. To overcome this problem, femtosecond laser pulses are used instead of voltage pulses. Here we discuss some aspects of pulsed laser field evaporation and optimization of parameters to achieve better chemical accuracy. (C) 2010 Elsevier B.V. All rights reserved.

10aAtom probe tomography10aLaser assisted field evaporation10aWustite1 aBachhav, Mukesh, N.1 aDanoix, R.1 aDanoix, F.1 aHannoyer, Beatrice1 aOgale, Satishchandra, B.1 aVurpillot, F. uhttps://library.ncl.res.in/content/investigation-wustite-fe1-xo-femtosecond-laser-assisted-atom-probe-tomography-001635nas a2200253 4500008004100000022001400041245008700055210006900142260010600211300001000317490000800327520071300335653002201048653001501070653002901085653001801114100003401132700002601166700001401192700001701206700001901223700002101242856011801263 2011 eng d a0038-109800aInvestigations of magnetic and dielectric properties of cupric oxide nanoparticles0 aInvestigations of magnetic and dielectric properties of cupric o aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcJAN a55-600 v1513 a

Cupric oxide nanoparticles of similar to 8-10 nm width and 40-45 nm length self assembled as large particles similar to 1-1 5 mu m have been investigated in the 10-325 K temperature range using magnetic and dielectric measurements In magnetic measurements a single broad peak at similar to 230 K in a zero field cooled sample has been observed Coercivity in magnetization measurements at 10 K suggests that the nanoparticles are core-shell type particles with an antiferromagnetic core and a ferromagnetic shell Dielectric measurements at various frequencies from 3 7 Hz to 949 kHz exhibit a sharp peak at 284 K followed by weak anomalies around 213 and 230 K (C) 2010 Elsevier Ltd All rights reserved

10aCuO nanoparticles10aDielectric10aFerroelectric transition10aFerromagnetic1 aBhalerao-Panajkar, Rohini, S.1 aShirolkar, Mandar, M.1 aDas, Raja1 aMaity, Tuhin1 aPoddar, Pankaj1 aKulkarni, S., K. uhttps://library.ncl.res.in/content/investigations-magnetic-and-dielectric-properties-cupric-oxide-nanoparticles-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-001733nas a2200277 4500008004100000022001400041245011000055210006900165260007900234300001200313490000800325520075200333653002201085653001701107653001501124653001101139653002401150653001301174100002501187700002201212700002701234700002401261700002401285700002101309856012501330 2011 eng d a0273-228900aIsolation, identification and optimization of a new extracellular lipase producing strain of rhizopus sp.0 aIsolation identification and optimization of a new extracellular a999 RIVERVIEW DRIVE SUITE 208, TOTOWA, NJ 07512 USAbHUMANA PRESS INCcAUG a969-9780 v1643 a

A lipolytic mesophilic fungus which produces lipase extracellularly was isolated from soil. Based on ITS1-5.8S-ITS4 region sequences of ribosomal RNA, it was concluded that the isolate JK-1 belongs to genus Rhizopus and clades with Rhizopus oryzae. The present paper reports the screening, isolation, identification, and optimization of fermentation conditions for the production of lipase (EC 3.1.1.3). Culture conditions were optimized, and the highest lipase production was observed in basal medium with corn steep liquor as nitrogen source and glucose as carbon source. Maximum lipase production was observed at 72 h, which is about 870 U/ml. Optimization of fermentation conditions resulted in 16-fold enhancement in enzyme production.

10aCorn steep liquor10aFermentation10aITS region10aLipase10aMedium optimization10aRhizopus1 aKantak, Jayshree, B.1 aBagade, Aditi, V.1 aMahajan, Siddharth, A.1 aPawar, Shrikant, P.1 aShouche, Yogesh, S.1 aPrabhune, Asmita uhttps://library.ncl.res.in/content/isolation-identification-and-optimization-new-extracellular-lipase-producing-strain-001681nas a2200157 4500008004100000022001400041245007800055210006900133260007100202300001600273490000800289520107500297100002001372700002801392856010301420 2012 eng d a1520-610600aIdentification of cholesterol binding sites in the serotonin(1A) receptor0 aIdentification of cholesterol binding sites in the serotonin1A r a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcNOV a12991-129960 v1163 a

The serotonin(1A) receptor is a representative member of the G protein-coupled receptor (GPCR) superfamily and serves as an important drug target in the development of therapeutic agents for neuropsychiatric disorders. Previous work has shown the requirement of membrane cholesterol in the organization, dynamics, and function of the serotonin(1A) receptor. We show here that membrane cholesterol binds preferentially to certain sites on the serotonin(1A) receptor by performing multiple, long time scale MARTINI coarse-grain molecular dynamics simulations. Interestingly, our results identify the highly conserved cholesterol recognition/interaction amino acid consensus (CRAC) motif on transmembrane helix V as one of the sites with high cholesterol occupancy, thereby confirming its role as a putative cholesterol binding motif. These results represent the first direct evidence for membrane cholesterol binding to specific sites on the serotonin(1A) receptor and represent an important step in our overall understanding of GPCR function in health and disease.

1 aSengupta, Durba1 aChattopadhyay, Amitabha uhttps://library.ncl.res.in/content/identification-cholesterol-binding-sites-serotonin1a-receptor-002109nas a2200277 4500008004100000022001400041245011100055210006900166260008700235300001200322490000700334520109400341653002701435653002301462653001901485653002301504653002301527653002001550100001801570700002201588700002401610700003001634700002101664700002501685856012101710 2012 eng d a0883-911500aImmobilization of enantioselective lipase on soluble supports for kinetic resolution of drug intermediates0 aImmobilization of enantioselective lipase on soluble supports fo a1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLANDbSAGE PUBLICATIONS LTDcSEP a499-5090 v273 a

The microbial lipase, Arthrobacter sp. lipase (MTCC 5125), from the Indian Institute of Integrative Medicine repository, is known as an effective catalyst for high enantioselective kinetic resolution of drug intermediates. The ABL was immobilized on water-soluble linear supports by covalently binding it to the epoxy groups on the N-vinyl pyrrolidone/allyl glycidyl ether and N-vinyl pyrrolidone/glycidyl methacrylate copolymers. The immobilized lipase, on different soluble supports, had 90-110 mg/g protein binding and 500-700 U/g hydrolysis activities for tributyrin substrate. These copolymers had soluble/insoluble characteristics in different pH ranges, which is an advantage over insoluble copolymers. A soluble polymer at neutral pH provided better accessibility to the immobilized enzyme, which was recovered by precipitation at pH 2-3 for reuse. Kinetic resolution of racemic acyl derivatives of chiral auxiliaries and drug intermediates, namely, phenyl ethanol, aminoalcohol, and fluoxetine intermediate resulted in a significant enhancement in enantioselectivity (99%).

10aArthrobacter sp lipase10aEnantioselectivity10aImmobilization10aKinetic resolution10aN-vinylpyrrolidone10asoluble polymer1 aChaubey, Asha1 aParshad, Rajinder1 aTaneja, Subhash, C.1 aDeokar, Sarika, Babasaheb1 aRaman, Rajan, C.1 aPonrathnam, Surendra uhttps://library.ncl.res.in/content/immobilization-enantioselective-lipase-soluble-supports-kinetic-resolution-drug-002140nas a2200217 4500008004100000022001400041245011900055210006900174260008700243300001200330490000700342520129800349100001801647700002301665700001701688700002401705700002201729700002301751700001801774856013001792 2012 eng d a2159-333700aImproved inhibition of telomerase by short twisted intercalating nucleic acids under molecular crowding conditions0 aImproved inhibition of telomerase by short twisted intercalating a140 HUGUENOT STREET, 3RD FL, NEW ROCHELLE, NY 10801 USAbMARY ANN LIEBERT INCcDEC a399-4040 v223 a

Human telomeric DNA has the ability to fold into a 4-stranded G-quadruplex structure. Several G-quadruplex ligands are known to stabilize the structure and thereby inhibit telomerase activity. Such ligands have demonstrated efficient telomerase inhibition in dilute conditions, but under molecular crowding conditions mimicking physiological milieu, stabilization of the telomeric G-quadruplex is often lost. We attempted to demonstrate the enhanced G-quadruplex stabilizing ability under molecular conditions by using twisted intercalating nucleic acids (TINA)-modified oligonucleotides. We have shown using circular dichroism and ultraviolet spectroscopic methods that these TINA-modified short oligonucleotides function as G-quadruplex, inducing agents and participate in the formation of stabilized 3:1 G-quadruplex with the human telomeric oligonucleotide. Using enzyme-linked immunosorbent assay-based telomerase repeat amplification assay (TRAP) assay as well as nondenaturing polyacrylamide gel electrophoresis-based TRAP, we demonstrate remarkable enhancement in their anti-telomerase activity even under molecular crowding conditions. This is the first time in which a G-quadruplex stabilizing agent has demonstrated enhanced activity even under molecular crowding conditions.

1 aAgarwal, Tani1 aPradhan, Devranjan1 aGeci, Imrich1 aEl-Madani, Amro, M.1 aPetersen, Michael1 aPedersen, Erik, B.1 aMaiti, Souvik uhttps://library.ncl.res.in/content/improved-inhibition-telomerase-short-twisted-intercalating-nucleic-acids-under-molecular-001109nas a2200169 4500008004100000022001400041245011100055210006900166260011000235300001400345490000700359520036900366100002400735700002400759700003000783856012600813 2012 eng d a1359-734500aIn situ electrochemical organization of CdSe nanoclusters on graphene during unzipping of carbon nanotubes0 aIn situ electrochemical organization of CdSe nanoclusters on gra aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcFEB a3088-30900 v483 a

In situ decoration of very small CdSe quantum dots on graphene nanoribbons (GNRs) has been achieved during the electrochemical unzipping of single walled carbon nanotubes. Critical parameters like the width of the GNRs, size distribution of quantum dots and their organization on GNRs have been shown to be strongly dependent on the electric field and time.

1 aDebgupta, Joyashish1 aShinde, Dhanraj, B.1 aPillai, Vijayamohanan, K. uhttps://library.ncl.res.in/content/situ-electrochemical-organization-cdse-nanoclusters-graphene-during-unzipping-carbon-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-001811nas a2200229 4500008004100000022001400041245009700055210006900152260006700221300001400288490000700302520091800309653003001227653003201257653003001289653004001319653004301359100002001402700001601422700001901438856012401457 2012 eng d a8756-793800aIn situ pH maintenance for mammalian cell cultures in shake flasks and tissue culture flasks0 aIn situ pH maintenance for mammalian cell cultures in shake flas a111 RIVER ST, HOBOKEN 07030-5774, NJ USAbWILEY-BLACKWELLcNOV a1605-16100 v283 a

pH in animal cell cultures decreases due to production of metabolites like lactate. pH control via measurement and base addition is not easily possible in small-scale culture formats like tissue-culture flasks and shake flasks. A hydrogel-based system is reported for in situ pH maintenance without pH measurement in such formats, and is demonstrated to maintain pH between 6.8 and 7.2 for a suspension CHO cell line in CD CHO medium and between 7.3 and 7.5 for adherent A549 cells in DMEM:F12 containing 10% FBS. This system for pH maintenance, along with our previous report of hydrogels for controlled nutrient delivery in shake flasks can allow shake flasks to better mimic bioreactor-based fed batch operation for initial screening during cell line and process development for recombinant protein production in mammalian cells. (C) 2012 American Institute of Chemical Engineers Biotechnol. Prog., 2012

10ahigh throughput screening10apH control for cell culture10apH control in shake flask10apH control in tissue culture flasks10asmall scale platforms for cell culture1 aPradhan, Ketaki1 aPant, Tejal1 aGadgil, Mugdha uhttps://library.ncl.res.in/content/situ-ph-maintenance-mammalian-cell-cultures-shake-flasks-and-tissue-culture-flasks-001804nas a2200241 4500008004100000022001400041245016100055210006900216260009200285300001200377490000600389520084800395653002001243653001101263653003201274653001701306653001701323653002201340100002501362700002301387700002501410856012701435 2012 eng d a1947-293500aIn vitro enzyme mediated synthesis of metal sulfide nanoparticles: control of particle size of CdS, Ni7S6, PbS, Co3S4 nanoparticles using synthetic peptides0 aIn vitro enzyme mediated synthesis of metal sulfide nanoparticle a26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USAbAMER SCIENTIFIC PUBLISHERScJAN a179-1860 v43 a

We report the use of enzyme sulfite reductase for the in vitro synthesis of technologically important metal sulfide quantum dots viz. Co3S4, PbS and Ni7S6. Also we report the use of synthetic peptides to control the particle size of the above metal sulfide quantum dots in addition to CdS, synthesized using enzyme. Sulfite reductase when incubated with aqueous CdCl2, or Co(NO3)(3) or NiCl2 or Pb(NO3)(2), and Na2SO3 in the presence of the appropriate capping peptide resulted in the synthesis of particle size controlled CdS, Co3S4, Ni7S6, or PbS quantum dots respectively. These, enzyme mediated synthesized and size controlled metal sulfide quantum dots, were characterized using Absorbance and photoluminescence spectrometry, X-ray diffraction, X-ray photoelectron spectroscopy and High resolution-transmission electron microscopy.

10aCapping Peptide10aEnzyme10aMetal Sulfide Nanoparticles10aquantum dots10aSize Control10aSulfite Reductase1 aAnsary, Abu, Ayoobul1 aKhan, Muhammed, I.1 aGaikwad, Sushama, M. uhttps://library.ncl.res.in/content/vitro-enzyme-mediated-synthesis-metal-sulfide-nanoparticles-control-particle-size-cds-002243nas a2200229 4500008004100000022001400041245008400055210006900139260005700208300001200265490000600277520146500283653001101748653001701759653002101776653002101797653001401818653002601832100002501858700001901883856011101902 2012 eng d a1863-546600aIn vitro morphogenic response in cotyledon explants of semecarpus anacardium L.0 aIn vitro morphogenic response in cotyledon explants of semecarpu a233 SPRING ST, NEW YORK, NY 10013 USAbSPRINGERcAPR a141-1480 v63 a

Three different morphogenic responses-caulogenesis, direct somatic embryogenesis, and callusing-were noted in cotyledon explants of Semecarpus anacardium L. cultured in woody plant medium (WPM) containing thidiazuron (TDZ). Thidiazuron, at all concentrations tested, induced organogenic as well as embryogenic responses. The organogenic buds differentiated to shoots and the embryogenic mass (EM) gave rise to globular embryos which differentiated up to cotyledon-stage embryos on repeated culture in growth regulator (GR)-free WPM medium containing 0.2% activated charcoal after the removal of TDZ. The organogenic and embryogenic responses were optimal in 9.08 mu M TDZ after the removal of TDZ. Elongated shoots rooted in half-strength liquid WPM medium with 2.46 mu M indole butyric acid. Plants were successfully acclimatized and transferred to soil. Histological studies confirmed the direct origin of the organogenic buds from the cotyledon explants. The EMs produced somatic embryos on repeated culture in charcoal incorporated GR-free medium. Morphogenic callus formation from the cotyledon explants was also noted. This callus on repeated culture in WPM medium with charcoal differentiated into somatic embryos. Repetitive somatic embryogenesis was evident from direct and indirectly formed primary embryos. The somatic embryos did not convert into plantlets, though sporadic germination of embryos was observed through the emergence of roots.

10acallus10aCaulogenesis10aGlobular embryos10aGrowth regulator10aHistology10asomatic embryogenesis1 aPanda, Bhuban, Mohan1 aHazra, Sulekha uhttps://library.ncl.res.in/content/vitro-morphogenic-response-cotyledon-explants-semecarpus-anacardium-l-001574nas a2200229 4500008004100000022001400041245010100055210006900156260007700225300001400302490000700316520074000323653001101063653001201074653001401086653002101100653002001121100003001141700002601171700002401197856012301221 2012 eng d a0947-653900aInCl3-mediated addition of indole to isatogens: an expeditious synthesis of 13-deoxy-isatisine A0 aInCl3mediated addition of indole to isatogens an expeditious syn aBOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANYbWILEY-V C H VERLAG GMBHcJUL a9601-96110 v183 a

A strategy directed towards the total synthesis of isatisine A that involves several late-stage metal-catalyzed transformations that address the key carboncarbon and carbonheteroatom bond formations has been developed. As a part of this strategy, methods for the addition of indoles to isatogens that lead selectively to either 2,2-disubstituted N-hydroxyindolin-3-one or 2,2-disubstituted indolin-3-one compounds have been developed by employing InCl3 as a catalyst or as the reagent. The present methods provide the first examples of the additions of indoles to the isatogen nucleus. To demonstrate its viability, the synthesis of 13-deoxy-isatisine A has been completed in ten steps from a known and easily available lactone.

10aindium10aindoles10aisatogens10aNatural products10aTotal synthesis1 aKumar, Chepuri, V. Suneel1 aPuranik, Vedavati, G.1 aRamana, Chepuri, V. uhttps://library.ncl.res.in/content/incl3-mediated-addition-indole-isatogens-expeditious-synthesis-13-deoxy-isatisine-000465nas a2200133 4500008004100000022001400041245003600055210003500091260008900126300000800215490000800223100003200231856006800263 2012 eng d a0036-807500aIndia's science for all academy0 aIndias science for all academy a1200 NEW YORK AVE, NW, WASHINGTON, DC 20005 USAbAMER ASSOC ADVANCEMENT SCIENCEcFEB a8910 v3351 aMashelkar, Raghunath, Anant uhttps://library.ncl.res.in/content/indias-science-all-academy-001856nas a2200229 4500008004100000022001400041245007900055210006900134260009900203300001400302490000700316520106100323653001501384653001401399653000901413653001501422100001801437700001801455700002201473700002401495856010701519 2012 eng d a0272-884200aInfluence of Pd-loading on gas sensing characteristics of SnO2 thick films0 aInfluence of Pdloading on gas sensing characteristics of SnO2 th aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLANDbELSEVIER SCI LTDcAUG a4835-48440 v383 a

Nanocrystalline pristine and 0.5, 1.5 and 3.0 wt% Pd loaded SnO2 were synthesized by a facile co-precipitation route. These powders were screen-printed on alumina substrates to form thick films to investigate their gas sensing properties. The crystal structure and morphology of different samples were characterized by using X-ray diffraction, scanning electron microscopy and transmission electron microscopy techniques. The 3.0 wt% Pd:SnO2 showed response of 85% toward 100 ppm of LPG at operating temperature of 250 degrees C with fast response (8 s) and quick recovery time (24 s). The high response toward LPG on Pd loading can be attributed to lowering of crystallite size (9 nm) as well as the role of Pd particles in exhibiting spill-over mechanism on the SnO2 surface. Also selectivity of 3.0 wt% Pd:SnO2 toward LPG was confirmed by measuring its response to other reducing gases like acetone (CH3COCH3), ethanol (C2H5OH) and ammonia (NH3) at optimum operating temperature. (C) 2012 Elsevier Ltd and Techna Group S.r.l. All rights reserved.

10aLPG sensor10aPalladium10aSnO210aThick film1 aBagal, L., K.1 aPatil, J., Y.1 aMulla, Imtiaz, S.1 aSuryavanshi, S., S. uhttps://library.ncl.res.in/content/influence-pd-loading-gas-sensing-characteristics-sno2-thick-films-002581nas a2200241 4500008004100000022001400041245014000055210006900195260007400264300001200338490000800350520166100358653002202019653002302041653001602064653002602080653002202106653001902128100002302147700002302170700001802193856012802211 2012 eng d a0014-233600aInheritance of resistance to root-lesion nematodes (Pratylenchus thornei and P. neglectus) in five doubled-haploid populations of wheat0 aInheritance of resistance to rootlesion nematodes Pratylenchus t aVAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDSbSPRINGERcNOV a209-2190 v1883 a

Nematode species Pratylenchus thornei and P. neglectus are the two most important root-lesion nematodes affecting wheat (Triticum aestivum L.) and other grain crops in Australia. For practical plant breeding, it will be valuable to know the mode of inheritance of resistance and whether the same set of genes confer resistance to both species. We evaluated reactions to P. thornei and P. neglectus of glasshouse-inoculated plants of five doubled-haploid populations derived from five resistant synthetic hexpaloid wheat lines, each crossed to the susceptible Australian wheat cultivar Janz. For each cross we determined genetic variance, heritability and minimum number of effective resistance genes for each nematode species. Distributions of nematode numbers for both species were continuous for all doubled-haploid populations. Heritabilities were high and the resistances were controlled by 4-7 genes. There was no genetic correlation between resistance to P. thornei and to P. neglectus in four of the populations and a significant but low correlation in one. Therefore, resistances to P. thornei and to P. neglectus are probably inherited quantitatively and independently in four of these synthetic hexaploid wheat populations, with the possibility of at least one genetic factor contributing to resistance to both species in one of the populations. Parents with the greatest level of resistance will be the best to use as donor parents to adapted cultivars, and selection of resistance to both species in early generations will be optimal to carry resistance through successive cycles of inbreeding to produce resistant cultivars for release.

10aAegilops tauschii10aDisease resistance10aDurum wheat10aGermplasm development10aTriticum aestivum10aWheat breeding1 aThompson, John, P.1 aZwart, Rebecca, S.1 aButler, David uhttps://library.ncl.res.in/content/inheritance-resistance-root-lesion-nematodes-pratylenchus-thornei-and-p-neglectus-five-001772nas a2200217 4500008004100000022001400041245014500055210006900200260009900269300001200368490000800380520088800388653002201276653002701298653002101325653002701346653001801373100001801391700001401409856013101423 2012 eng d a0960-852400aInhibition of xyloglucanase from an alkalothermophilic thermomonospora sp by a peptidic aspartic protease inhibitor from Penicillium sp VM240 aInhibition of xyloglucanase from an alkalothermophilic thermomon aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLANDbELSEVIER SCI LTDcNOV a390-3990 v1233 a

A bifunctional inhibitor from Penicilliurn sp VM24 causing inactivation of xyloglucanase from Thermomonospora sp and an aspartic protease from Aspergillus saitoi was identified. Steady state kinetics studies of xyloglucanase and the inhibitor revealed an irreversible, non-competitive, two-step inhibition mechanism with IC50 and K-i; values of 780 and 500 nM respectively. The interaction of o-phthalaldehyde (OPTA)-labeled xyloglucanase with the inhibitor revealed that the inhibitor binds to the active site of the enzyme. Far- and near-UV spectrophotometric analysis suggests that the conformational changes induced in xyloglucanase by the inhibitor may be due to irreversible denaturation of enzyme. The bifunctional inhibitor may have potential as a biocontrol agent for the protection of plants against phytopathogenic fungi. (C) 2012 Elsevier Ltd. All rights reserved.

10aAspartic protease10aBifunctional inhibitor10aBiocontrol agent10aInactivation mechanism10aXyloglucanase1 aMenon, Vishnu1 aRao, Mala uhttps://library.ncl.res.in/content/inhibition-xyloglucanase-alkalothermophilic-thermomonospora-sp-peptidic-aspartic-protease-002275nas a2200169 4500008004100000245016000041210006900201260000800270300001600278490000700294520159700301100002201898700001701920700002101937700001701958856013001975 2012 eng d00aInterfacial and film formation behavior of photoactive Ru(ii)bipyridyl based metallosurfactants and a rare example of a monolayer based logic gate approach0 aInterfacial and film formation behavior of photoactive Ruiibipyr cDEC a1096–11050 v773 a

Three derivatives of tris(bipyridyl)–ruthenium(II) complexes with different alkyl-chain lengths (nC18H37 (1), nC14H29 (2) and nC10H21 (3)) were synthesised. All these complexes behaved as an amphiphile and their surface properties were studied at the air–water interface by measuring surface pressure–area (Π–A) isotherms. The surface morphology of the resulting films at the air–water interface was also studied by using Brewster angle microscopy. Mean molecular areas of these complexes were measured from the Π–A isotherms, which were approximately 200 Å2, thereby indicating a parallel arrangement of the Ru–bipyridyl moiety of the complexes. Mono- and multilayer Langmuir–Blodgett (LB) films were formed on different solid surfaces with transfer ratios close to one. Similarities in the absorption and fluorescence spectra of these amphiphiles in solution as well as in LB films deposited on a quartz surface confirmed the successful transfer of these films onto the substrates. The latter provided information about the arrangements of metallosurfactant molecules within the LB films. The two-dimensional concentrations of these films were calculated from the Lambert–Beer law as well as from the Π–A isotherm, which confirmed regular and reproducible transfer of the complex monolayers from the air–water interface onto the quartz surface. The surface morphology of these films on various substrates was characterised by atomic force microscopy. Furthermore, by oxidising the monolayer of complex 3, a one-input sequential logic gate was constructed.

1 aMahato, Prasenjit1 aSaha, Sukdeb1 aChoudhury, Sipra1 aDas, Amitava uhttps://library.ncl.res.in/content/interfacial-and-film-formation-behavior-photoactive-ruiibipyridyl-based-metallosurfactants00937nas a2200181 4500008004100000245013400041210006900175260000800244300001400252490000700266520026000273100001700533700002200550700001800572700002100590700001700611856012700628 2012 eng d00aInterrupted PET coupled TBET process for the design of a specific receptor for Hg2+ and its intracellular detection in MCF7 cells0 aInterrupted PET coupled TBET process for the design of a specifi cJUL a9293-92950 v483 a

A new coumarin–rhodamine conjugate constitutes a unique example of the interrupted PET coupled TBET response for developing an imaging reagent for determining the intracellular distribution of Hg2+ in MCF7 cells exposed to [Hg2+] as low as 2 ppb.

1 aSaha, Sukdeb1 aMahato, Prasenjit1 aBaidya, Mithu1 aGhosh, Sudip, K.1 aDas, Amitava uhttps://library.ncl.res.in/content/interrupted-pet-coupled-tbet-process-design-specific-receptor-hg2-and-its-intracellular01569nas a2200253 4500008004100000022001400041245008500055210006900140260007300209300001200282490000700294520071000301653001001011653001701021653001801038653001901056653002801075100002501103700001501128700001601143700002001159700001701179856011901196 2012 eng d a0167-577X00aIntracellular synthesis of gold nanoparticles using alga tetraselmis kochinensis0 aIntracellular synthesis of gold nanoparticles using alga tetrase aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcJUL a116-1180 v793 a

The development of eco-friendly synthesis protocol for the synthesis of nanoscale materials of different compositions, shapes and sizes is an important area of research in the field of nanotechnology. In this paper, we report on the use of alga Tetraselmis kochinensis in the intracellular synthesis of gold nanoparticles of dimensions 5-35 nm. The particles are more concentrated upon the cell wall than on the cytoplasmic membrane, possibly due to reduction of the metal ions by enzymes present in the cell wall and cytoplasmic membrane. These intracellular nanoparticles may have applications in drug delivery, biomedical applications, catalysis, etc. (C) 2012 Elsevier B.V. All rights reserved.

10aAlgae10aBiosynthesis10aNanoparticles10ananotechnology10aTetraselmis kochinensis1 aSenapati, Satyajyoti1 aSyed, Asad1 aMoeez, Sana1 aKumar, Ashutosh1 aAhmad, Absar uhttps://library.ncl.res.in/content/intracellular-synthesis-gold-nanoparticles-using-alga-tetraselmis-kochinensis-001729nas a2200241 4500008004100000022001400041245009900055210006900154260009500223300001000318490000800328520083300336653001001169653003001179653001901209653001901228653001801247653002901265653002601294100002701320700001701347856012301364 2012 eng d a0021-951700aIntramolecular selective hydrogenation of cinnamaldehyde over CeO2-ZrO2-supported Pt catalysts0 aIntramolecular selective hydrogenation of cinnamaldehyde over Ce a525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USAbACADEMIC PRESS INC ELSEVIER SCIENCEcJAN a31-400 v2853 a

Selective liquid phase hydrogenation of cinnamaldehyde is reported, for the first time, over CeO2, ZrO2, and CeO2-ZrO2-supported Pt catalysts. Cinnamyl alcohol is the selective product. These catalysts are highly active and selective even at 25 degrees C and found to be superior to most of the hitherto known supported Pt catalysts. Alkali addition (NaOH) has enhanced the performance of these catalysts. At an optimized reaction condition, 95.8% conversion of cinnamaldehyde and 93.4% selectivity of cinnamyl alcohol have been obtained. Acidity of the support (due to the presence of ZrO2 component) and higher electron density at Pt (due to CeO2 component) are attributed to be responsible for the superior catalytic activity of Pt supported on CeO2-ZrO2 composite material. (C) 2011 Elsevier Inc. All rights reserved.

10aalpha10abeta-Unsaturated aldehyde10aCeria-zirconia10aCinnamaldehyde10aHydrogenation10aPromotion by alkali ions10aSupported Pt catalyst1 aBhogeswararao, Seemala1 aSrinivas, D. uhttps://library.ncl.res.in/content/intramolecular-selective-hydrogenation-cinnamaldehyde-over-ceo2-zro2-supported-pt-001750nas a2200205 4500008004100000022001400041245006200055210006100117260006900178300001200247490000800259520105600267653001501323653001001338653002801348653002601376100002201402700002201424856009801446 2012 eng d a1385-894700aIsophorone reactor: modelling and performance enhancement0 aIsophorone reactor modelling and performance enhancement aPO BOX 564, 1001 LAUSANNE, SWITZERLANDbELSEVIER SCIENCE SAcOCT a349-3670 v2073 a

The production of isophorone in a reactive distillation column was modelled. Mass transfer and heat transfer accompanied by chemical reactions were incorporated in a dynamic non-equilibrium multistage model. A base case simulation was identified and established. The base case simulation showed the value of key performance indicator that is mass ratio of acetone consumed to isophorone produced as 1.54. The computational model was then used to understand and to evaluate influence of various key design and operating parameters on this key performance indicator. Influence of reactor volume, mass transfer coefficient and feed composition, location and temperature was evaluated. The simulated results indicate that the key performance indicator can be improved (reduce acetone consumed per isophorone produced) by manipulating acetone content in the feed and location of the feed. The presented results will be useful for realising performance enhancement of isophorone and other similar reactors. (C) 2012 Elsevier B.V. All rights reserved.

10aIsophorone10aModel10aPerformance enhancement10aReactive distillation1 aDarda, Pranay, J.1 aRanade, Vivek, V. uhttps://library.ncl.res.in/content/isophorone-reactor-modelling-and-performance-enhancement-002007nas a2200241 4500008004100000022001400041245014900055210006900204260007700273300001600350490000700366520105300373653001401426653002101440653003201461653002601493653002201519100002301541700002701564700002401591700002701615856012301642 2013 eng d a0947-653900aIdentification of molecular crystals capable of undergoing an acyl-transfer reaction based on intermolecular interactions in the crystal lattice0 aIdentification of molecular crystals capable of undergoing an ac aBOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANYbWILEY-V C H VERLAG GMBHcSEP a12867-128740 v193 a

Investigation of the intermolecular acyl-transfer reactivity in molecular crystals of myo-inositol orthoester derivatives and its correlation with crystal structures enabled us to identify the essential parameters to support efficient acyl-transfer reactions in crystals: 1)the favorable geometry of the nucleophile (OH) and the electrophile (CO) and 2)the molecular assembly, reinforced by CH interactions, which supports a domino-type reaction in crystals. These parameters were used to identify another reactive crystal through a data-mining study of the Cambridge Structural Database. A 2:1 co-crystal of 2,3-naphthalene diol and its di-p-methylbenzoate was selected as a potentially reactive crystal and its reactivity was tested by heating the co-crystals in the presence of solid sodium carbonate. A facile intermolecular p-toluoyl group transfer was observed as predicted. The successful identification of reactive crystals opens up a new method for the detection of molecular crystals capable of exhibiting acyl-transfer reactivity.

10aAcylation10adomino reactions10aintermolecular interactions10asolid-state reactions10aX-ray diffraction1 aTamboli, Majid, I.1 aKrishnaswamy, Shobhana1 aGonnade, Rajesh, G.1 aShashidhar, Mysore, S. uhttps://library.ncl.res.in/content/identification-molecular-crystals-capable-undergoing-acyl-transfer-reaction-based-001697nas a2200169 4500008004100000022001400041245010400055210006900159260007100228300001600299490000700315520100200322100002301324700003001347700002101377856012901398 2013 eng d a0888-588500aImpinging jet micromixer for flow synthesis of nanocrystalline MgO: role of mixing/impingement zone0 aImpinging jet micromixer for flow synthesis of nanocrystalline M a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcDEC a17376-173820 v523 a

Continuous flow synthesis of nanomaterials via sol-gel process using microreactors has not received much attention. For the synthesis of gels where the reaction time is of the order of few seconds to few tens of seconds, microchannel reactors are an excellent processing option. However since a `gel' does not `flow' easily, making it in a microchannel usually clogs the microchannel. We envisaged that by using an impinging jet micromixer, where the two reactants impinge and collide to form a mixing zone outside the micromixer, this problem could be circumvented. Here we report a successful implementation of continuous flow synthesis of metal oxides formed by the rapid sol-gel process taking the nanocrystalline MgO (NC-MgO) as a specific example. Furthermore, we clearly demonstrate that the nature of the mixing zone formed by the impinging jets governs the surface area of the product. Specific flow rate and impingement angle are identified that yield high surface area materials.

1 aKumar, D., V. Ravi1 aPrasad, Bhagavatula L. V.1 aKulkarni, A., A. uhttps://library.ncl.res.in/content/impinging-jet-micromixer-flow-synthesis-nanocrystalline-mgo-role-mixingimpingement-zone-000618nas a2200169 4500008004100000245008700041210006900128260000800197300001400205490000700219100001800226700002000244700001900264700002200283700002800305856011500333 2013 eng d00aImprinted electrodes for enhanced light trapping in solution processed solar cells0 aImprinted electrodes for enhanced light trapping in solution pro cOCT a443–4480 v261 aMihi, Agustin1 aBeck, Fiona, J.1 aLasanta, Tania1 aRath, Arup, Kumar1 aKonstantatos, Gerasimos uhttps://library.ncl.res.in/content/imprinted-electrodes-enhanced-light-trapping-solution-processed-solar-cells00535nas a2200145 4500008004100000245007700041210006900118260000800187300001200195490000700207100002100214700002200235700002300257856010900280 2013 eng d00aImprovement of regenerative rankine cycle using absorption heat boosters0 aImprovement of regenerative rankine cycle using absorption heat  cSEP a298-3220 v121 aMali, Nilesh, A.1 aMudadi, Rohit, H.1 aBhagwat, Sunil, S. uhttps://library.ncl.res.in/content/improvement-regenerative-rankine-cycle-using-absorption-heat-boosters01748nas a2200181 4500008004100000022001400041245010300055210006900158260011000227300001400337490000600351520099900357100002001356700002301376700002001399700002201419856012501441 2013 eng d a2050-748800aIn situ growth of metal-organic frameworks on a porous ultrafiltration membrane for gas separation0 aIn situ growth of metalorganic frameworks on a porous ultrafiltr aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcMAY a8828-88350 v13 a

We demonstrate the synthesis of CuBTC and ZIF-8 on a polysulfone based porous asymmetric ultrafiltration (UF) membrane by in situ growth followed by the LBL deposition of crystals without any need for preseeding or surface modification of the membrane. In this way, the top surface of the UF membrane pores is completely covered by MOFs; while the remaining part of the membrane offers a flexible support to the MOFs. The pore apertures of the MOF nanoparticles located at the pore opening of the UF membrane act as channels for the entry of penetrants. The remaining porous sublayer of the membrane carries penetrants on the permeate side without significant resistance. These composite membranes were characterized by PXRD and SEM. The gas permeation study was performed using pure gases of industrial significance (H-2, C3H6 and CO2). The performance of CuBTC@PSF showed enhanced selectivity, of 7.2 and 5.7 for H-2/CO2 and H-2/C3H6 respectively, to that of the pristine PSF membrane.

1 aNagaraju, Divya1 aBhagat, Deepti, G.1 aBanerjee, Rahul1 aKharul, Ulhas, K. uhttps://library.ncl.res.in/content/situ-growth-metal-organic-frameworks-porous-ultrafiltration-membrane-gas-separation-002686nas 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-002344nas a2200169 4500008004100000022001400041245011700055210006900172260007100241300001600312490000800328520165200336100001701988700001602005700002602021856012702047 2013 eng d a1932-744700aInfluence of charge and ligand on the finite temperature behavior of gold clusters: a BOMD study on Au-6 cluster0 aInfluence of charge and ligand on the finite temperature behavio a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcOCT a20982-209900 v1173 a

Conformation and electronic charge on a gold cluster are known to determine its catalytic property. However, little is known on the finite temperature behavior of various gold cluster conformations. Much less is known on the role of charge or a ligand in stabilizing a conformation at finite temperatures. In this work, we have carried out relativistic density functional theory (DFT) based molecular dynamical simulations on neutral and charged Au-6 clusters with an aim of understanding the stability of ground state conformations as a function of charge on the cluster. Our simulations reveal that cationic and anionic Au-6 clusters undergo conformational transitions at 500 K where as neutral Au-6 cluster retains its ground state conformation up to a temperature of 1100 K. In order to look into the factors leading to the stabilization of neutral Au-6 cluster (or destabilization of cationic and anionic Au-6 clusters), structural and electronic properties are analyzed. Factors such as charge redistribution within the atoms and composition of molecular orbitals are seen to contribute towards stronger Au-Au bonds in Au-6(0) thereby stabilizing it considerably. Following the analysis, simulations are also extended to neutral, cationic, and anionic Au-6-COn (n = 1,2) complexes. In the case of CO chemisorbed Au-6 clusters, neutral and negatively charged ground state conformations are stable up to nearly 800 K, while the positively charged Au-6 ground state conformation collapses at room temperature. This work, in short demonstrates how charge or even a ligand can be used to moderate the physical properties of a gold cluster.

1 aManzoor, Dar1 aPal, Sourav1 aKrishnamurty, Sailaja uhttps://library.ncl.res.in/content/influence-charge-and-ligand-finite-temperature-behavior-gold-clusters-bomd-study-au-6-002058nas a2200241 4500008004100000022001400041245009300055210006900148260009900217300001200316490000800328520118700336653002701523653002201550653001301572653001501585653001601600100001901616700001901635700001901654700001901673856012401692 2013 eng d a0016-236100aInfluence of contact medium and surfactants on carbon dioxide clathrate hydrate kinetics0 aInfluence of contact medium and surfactants on carbon dioxide cl aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLANDbELSEVIER SCI LTDcMAR a664-6710 v1053 a

Carbon dioxide (CO2) hydrate formation kinetic was investigated in a fixed bed crystallizer at constant pressure (3.55 MPa) and temperature (274 K). Porous media of three different silica gels were used, with a mesh size of 60-120, 100-200 and 230-400 having different surface area. The observed trends indicate that silica gel with larger surface area leads to higher gas consumption as well as reduces the induction time. The effect of pore diameter and particle size distribution has already been reported in a previous study [1]. In this study the effect of additives on hydrate formation kinetics were also investigated. The additives studied were nonionic surfactant Tween-80 (T-80), cationic dodecyltrimethylammonium chloride (DTACl) and anionic Sodium Dodecyl Sulphate (SDS). Out of the three surfactants used in this study, SDS was found to be most effective in enhancing the rate of hydrate formation as well as reducing the induction time. The current result shows significant improvement in water to hydrate conversion in silica gel media compared to quiescent water or surfactant-water system under similar conditions. (C) 2012 Elsevier Ltd. All rights reserved.

10aCarbon dioxide capture10aClathrate hydrate10akinetics10aSilica gel10aSurfactants1 aKumar, Asheesh1 aSakpal, Tushar1 aLinga, Praveen1 aKumar, Rajnish uhttps://library.ncl.res.in/content/influence-contact-medium-and-surfactants-carbon-dioxide-clathrate-hydrate-kinetics-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-001751nas a2200217 4500008004100000022001400041245014800055210006900203260007300272300001000345490000800355520086600363653001501229653002501244653002801269653003601297653002701333100002001360700002101380856013201401 2013 eng d a0926-860X00aInfluence of method of preparation of solid, double-metal cyanide complexes on their catalytic activity for synthesis of hyperbranched polymers0 aInfluence of method of preparation of solid doublemetal cyanide  aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcAUG a51-600 v4643 a

Catalytic activity of a series of Fe-Zn double-metal cyanide (DMC) complexes with varying structural and acidic properties has been investigated for the synthesis of hyperbranched polyesters (HPs) from glycerol and succinic acid/adipic acid. The DMC complexes were prepared using different complexing and co-complexing agents. Hydrophobicity of the surface, Lewis acidity and micro-mesoporous architecture are the critical features of DMC enabled control on gelation process in preparing HPs of high degree of branching. The micro-mesoporous architecture of DMC acts as a nano-reactor for reactant molecules to form primary condensation products which further polymerize yielding dendrimers. Hyperbranched polyesters of degree of branching as high as 90% could be achieved without gelation using DMC catalysts. (C) 2013 Elsevier B.V. All rights reserved.

10aDendrimers10aDouble-metal cyanide10aheterogeneous catalysis10aHydrophobic solid acid catalyst10aHyperbranched polymers1 aSebastian, Joby1 aSrinivas, Darbha uhttps://library.ncl.res.in/content/influence-method-preparation-solid-double-metal-cyanide-complexes-their-catalytic-activity-002436nas a2200157 4500008004100000022001400041245012800055210006900183260011000252300001600362490000600378520172400384100002302108700002902131856011802160 2013 eng d a2046-206900aInfluence of properties of SAPO's on the one-pot conversion of mono-, di- and poly-saccharides into 5-hydroxymethylfurfural0 aInfluence of properties of SAPOs on the onepot conversion of mon aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcJUL a17156-171650 v33 a

Synthesis of 5-hydroxymethylfurfural (5-HMF) from biomass derived mono-and poly-saccharides is gaining importance because of its usefulness in the preparation of important chemicals. In our work, we have synthesized several silicoaluminophosphate (SAPO) catalysts, and have shown that in the absence of any other pH modifying reagents, those are active in converting mono-and poly-saccharides into 5-HMF under biphasic reaction condition at 175 degrees C. Particularly, SAPO-44 catalyst showed the best activity in the conversion of fructose to yield 78% 5-HMF with 88% selectivity. On the contrary, all other catalysts showed lower yields (H-MOR: 63%, SAPO-5: 32%, 2DCT: 60%). Over SAPO-44, good yields for 5-HMF were observed when glucose (67%), maltose (57%), cellobiose (56%) and starch (68%) were used as substrates. Recycle study carried out with SAPO-44 catalyst in the fructose conversion reaction showed marginal decrease in the activity up to 3rd run and then afterwards constant activity was observed up to 5th run (1st: 78%, 2nd: 71%, 3rd: 66%, 4th: 65%, 5th: 65%). Catalyst characterizations revealed that SAPO catalysts have higher hydrophilic nature than H-MOR (Si/Al = 10) and hence it is postulated that this property may help in achieving better results. Further studies on the catalyst characterizations revealed that SAPO-44 undergoes modifications in its structure. However, ICP-OES data suggests that Al and/or P are not leached out in the solution indicating that change in local environment around elements is possible. The influence of acid amount, type of acid site etc. on the catalytic activity is discussed and found out that strong acid sites are required to boost the 5-HMF yields.

1 aBhaumik, Prasenjit1 aDhepe, Paresh, Laxmikant uhttps://library.ncl.res.in/content/influence-properties-sapos-one-pot-conversion-mono-di-and-poly-saccharides-5-000852nas a2200229 4500008004100000022001400041245008800055210006900143260007700212300001200289490000600301653002000307653002300327653001700350653001800367653001800385100002200403700002400425700002800449700003000477856011500507 2013 eng d a1861-472800aInfluence of the sophorolipid molecular geometry on their self-assembled structures0 aInfluence of the sophorolipid molecular geometry on their selfas aBOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANYbWILEY-V C H VERLAG GMBHcFEB a369-3720 v810abolaamphiphiles10ahelical structures10ap-p stacking10aSelf-assembly10asophorolipids1 aDhasaiyan, Prabhu1 aBanerjee, Agnimitra1 aVisaveliya, Nikunjkumar1 aPrasad, Bhagavatula L. V. uhttps://library.ncl.res.in/content/influence-sophorolipid-molecular-geometry-their-self-assembled-structures-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-001187nas a2200217 4500008004100000022001400041245008400055210006900139260000800208300001200216490000800228520043300236653003800669653004800707653001600755653003800771100001700809700001600826700001800842856010900860 2013 eng d a0026-897600aInteratomic coulombic decay in (HF)n,(n=2-3) clusters using CAP/EOM-CCSD method0 aInteratomic coulombic decay in HFnn23 clusters using CAPEOMCCSD  cNOV a669-6730 v1123 a

The equation-of-motion coupled-cluster method along with the complex absorbing potential has been applied to study the interatomic Coulombic decay mechanism in hydrogen-bonded clusters. We have applied this method to calculate the lifetime of the F 2s inner-valence ionised state of (HF)(n) (n = 2-3) clusters. The lifetime is found to be very short and decreases substantially with increasing the number of HF monomer.

10acomplex absorbing potential (CAP)10aequation-of-motion coupled-cluster (EOM-CC)10aHF clusters10ainteratomic Coulombic decay (ICD)1 aGhosh, Aryya1 aPal, Sourav1 aVaval, Nayana uhttps://library.ncl.res.in/content/interatomic-coulombic-decay-hfnn2-3-clusters-using-capeom-ccsd-method01145nas a2200157 4500008004100000022001400041245010200055210006900157260011000226300001400336490000700350520047000357100001900827700001600846856012500862 2013 eng d a1463-907600aInteresting thermal variations owing to cationic ring structural features in protic ionic liquids0 aInteresting thermal variations owing to cationic ring structural aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcAPR a8050-80530 v153 a

The present communication divulges interesting thermal behavior of different protic ionic liquids arising due to the hydrophobicity modifications in their parent cationic ring structures. This work assists us in differentiating between protic ionic liquids, their aprotic counterparts and common electrolytes in water. The thermal signatures produced by protic ionic liquids, aprotic ionic liquids and electrolytes emerge as individual fingerprints for them.

1 aRai, Gitanjali1 aKumar, Anil uhttps://library.ncl.res.in/content/interesting-thermal-variations-owing-cationic-ring-structural-features-protic-ionic-001373nas a2200169 4500008004100000022001400041245014300055210006900198260011000267300001400377490000700391520061500398100002101013700001701034700002401051856012801075 2013 eng d a1144-054600aInterfacial charge recombination of Os(II)-polypyridyl-resorcinol complex on oleic acid capped TiO2 surface: what determines the dynamics?0 aInterfacial charge recombination of OsIIpolypyridylresorcinol co aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcJUL a3100-31080 v373 a

Femtosecond transient absorption spectroscopic studies of an osmium(II)-polypyridyl-resorcinol complex, 1, on oleic acid capped TiO2 have been carried out and the results have been compared with our previous studies on poly(vinyl) alcohol capped TiO2. While on both these surfaces the complex exhibits a single exponential <120 fs injection, the back electron transfer reaction is slower on the oleic acid capped TiO2 surface early on while it is faster on the same surface at longer times than on poly(vinyl)alcohol capped TiO2. The probable origin of these disparate observations has been analyzed.

1 aBanerjee, Tanmay1 aDas, Amitava1 aGhosh, Hirendra, N. uhttps://library.ncl.res.in/content/interfacial-charge-recombination-osii-polypyridyl-resorcinol-complex-oleic-acid-capped-000763nas a2200157 4500008004100000022001400041245011600055210006900171260012500240300002300365490000800388100002200396700002300418700003400441856013000475 2013 eng d a0021-960600aInterplay between crystallization and glass transition in binary lennard-Jones mixtures (vol 139, 104501, 2013)0 aInterplay between crystallization and glass transition in binary aCIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USAbAMER INST PHYSICScOCT aArticle No. 1499020 v1391 aBanerjee, Atreyee1 aChakraborty, Suman1 aBhattacharyya, Sarika, Maitra uhttps://library.ncl.res.in/content/interplay-between-crystallization-and-glass-transition-binary-lennard-jones-mixtures-vol-002340nas a2200169 4500008004100000022001400041245009200055210006900147260012500216300002300341490000800364520159300372100002201965700002301987700003402010856012602044 2013 eng d a0021-960600aInterplay between crystallization and glass transition in binary Lennard-Jones mixtures0 aInterplay between crystallization and glass transition in binary aCIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USAbAMER INST PHYSICScSEP aArticle No. 1045010 v1393 a

In this work we explore the interplay between crystallization and glass transition in different binary mixtures by changing their inter-species interaction length and also the composition. We find that only those systems which form bcc crystal in the equimolar mixture and whose global structure for larger x(A) (x(A) = 0.6, where x(A) is the mole fraction of the bigger particles) is a mixed fcc + bcc phase, do not crystallize at this higher composition. However, the systems whose equimolar structure is a variant of fcc (NaCl type crystal) and whose global structure at larger xA is a mixed NaCl + fcc phase, crystallize easily to this mixed structure. We find that the stability against crystallization of this ``bcc zone'' is due to the frustration between the locally preferred structure (LPS) and the mixed bcc + fcc crystal. Our study suggests that when the global structure is a mixed crystal where a single species contributes to both the crystal forms and where the two crystal forms have large difference in some order parameter related to that species then this induces frustration between the LPS and the global structure. This frustration makes the systems good glass former. When x(A) is further increased (0.70 <= x(A) < 0.90) the systems show a tendency towards mixed fcc crystal formation. However, the ``bcc zone'' even for this higher composition is found to be sitting at the bottom of a V shaped phase diagram formed by two different variants of the fcc crystal structure, leading to its stability against crystallization. (C) 2013 AIP Publishing LLC.

1 aBanerjee, Atreyee1 aChakrabarty, Suman1 aBhattacharyya, Sarika, Maitra uhttps://library.ncl.res.in/content/interplay-between-crystallization-and-glass-transition-binary-lennard-jones-mixtures-002485nas a2200241 4500008004100000022001400041245014800055210006900203260007700272300001400349490000600363520154400369653002901913653002801942653001501970653001201985653002201997100002402019700002402043700002802067700002302095856012502118 2013 eng d a1867-388000aIsolation, characterization, and identification of catalytically active species in the MoO3/SiO2 catalyst during solid acid catalyzed reactions0 aIsolation characterization and identification of catalytically a aBOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANYbWILEY-V C H VERLAG GMBHcJUN a1531-15370 v53 a

We report the isolation, characterization, and identification of the catalytically active species formed during various acid-catalyzed reactions if silica-supported MoO3 was used as a catalyst. We have reported previously the synthesis and extensive characterization of the silica-supported MoO3 catalyst prepared by the sol-gel process with ammonium heptamolybdate and ethyl silicate-40 as molybdenum and silica precursors, respectively. The TEM images showed uniformly distributed MoO3 nanoparticles on the high-surface area mesoporous silica support and high acidity (0.9mmolg-1) by using temperature-programmed desorption of ammonia (NH3-TPD) analysis. This catalyst has already shown high activity for various acid-catalyzed reactions. To understand the nature of catalytically active species formed during the reaction, the liquid-phase esterification of acetic acid and ethanol was studied as a probe reaction with very high acid conversion (83%) in 8h. During esterification, the reaction mixture turned blue, which indicated a change in the nature of the catalyst under reaction conditions. These catalytically active species formed in the reaction mixture were isolated and extensively characterized by using FTIR, Raman, powder XRD, BET surface area, NH3-TPD, energy dispersive X-ray, and TEM analysis. The characterization results revealed the insitu formation of silicomolybdic acid on the silica surface in the presence of water, which acts as catalytically active species responsible for the acid-catalyzed reactions.

10aesterification reactions10aheterogeneous catalysis10aMolybdenum10asilicon10asol-gel processes1 aKotbagi, Trupti, V.1 aBiradar, Ankush, V.1 aUmbarkar, Shubhangi, B.1 aDongare, Mohan, K. uhttps://library.ncl.res.in/content/isolation-characterization-and-identification-catalytically-active-species-moo3sio2-002384nas a2200217 4500008004100000022001400041245013500055210006900190260009900259300001200358490000600370520152100376653001201897653002301909653001501932100002001947700001901967700002401986700003102010856012502041 2013 eng d a1995-764500aIsolation, fractionation and evaluation of the antiplasmodial properties of Phyllanthus niruri resident in its chloroform fraction0 aIsolation fractionation and evaluation of the antiplasmodial pro aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLANDbELSEVIER SCI LTDcMAR a169-1750 v63 a

Objective: To investigate the antiplasmodial activity of Phyllanthus niruri (P. niruri) methanol extract (ME) and its fractions in mice. Methods: P. niruri methanol extract and its chloroform, ethanol and aqueous portions were tested against chloroquine-sensitive Plasmodium berghei berghei. in early, established mid repository models of infection using Knight and Peter's 4-day suppressive model, Ryley and Peters curative model and Peters prophylactic model respectively. Results: Chemosuppression of parasitaemia (37.65%-50.53 %) was elicited by 100-400 mg/kg (b.w.) of ME. At doses of 100 mg/kg b.w., the chloroform fraction (F1) significantly (P<0.01) suppressed parasitaemia by 85.29%, while ethanol and aqueous fractions (F2 and F3, respectively) elicited 67.06% and 51.18% chemosuppression. The most active fraction, F1 was selected for further antiplasmodial screening. In established infection, ME reduced parasitaemia (15.81%-62.96%) while F1 significantly (P<0.01) reduced parasitaemia (44.36%-90.48%), with effects comparable to that of chloroquine (96.48%). The prophylactic antiplasmodial activity of ME (92.50% suppression) was also significant (P<0.01) and was more effective than pyrimethamine (85.00%). Additionally, cell membrane integrity of non-parasitized erythrocytes incubated with 125-500 mg/mL F1 was maintained. Conclusions: These findings indicate the antiplasmodial efficacy of P. niruri methanol extract, and the localization of this effect in its chloroform fraction.

10amalaria10aPhyllanthus niruri10aPlasmodium1 aIfeoma, Obidike1 aSamuel, Okhale1 aItohan, Aboh, Mercy1 aAdeola, Salawu, Oluwakanyi uhttps://library.ncl.res.in/content/isolation-fractionation-and-evaluation-antiplasmodial-properties-phyllanthus-niruri-001871nas a2200181 4500008004100000022001400041245015600055210006900211260009100280300001600371490000600387520106700393100002001460700001801480700004301498700001701541856013101558 2013 eng d a1932-620300aIsolation, purification and characterization of vinblastine and vincristine from endophytic fungus fusarium oxysporum isolated from catharanthus roseus0 aIsolation purification and characterization of vinblastine and v a1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USAbPUBLIC LIBRARY SCIENCEcSEP aUNSP e718050 v83 a

Endophytic fungi reside in a symbiotic fashion inside their host plants, mimic their chemistry and interestingly, produce the same natural products as their hosts and are thus being screened for the production of valuable compounds like taxol, camptothecin, podophyllotoxin, etc. Vinblastine and vincristine are excellent anti-cancer drugs but their current production using plants is non-abundant and expensive. In order to make these drugs readily available to the patients at affordable prices, we isolated the endophytic fungi from Catharanthus roseus plant and found a fungus AA-CRL-6 which produces vinblastine and vincristine in appreciable amounts. These drugs were purified by TLC and HPLC and characterized using UV-Vis spectroscopy, ESI-MS, MS/MS and H-1 NMR. One liter of culture filtrate yielded 76 mu g and 67 mu g of vinblastine and vincristine respectively. This endophytic fungal strain was identified as Fusarium oxysporum based upon its cultural and morphological characteristics and internal transcribed spacer (ITS) sequence analysis.

1 aKumar, Ashutosh1 aPatil, Deepak1 aRajamohanan, Pattuparambil, Ramanpilla1 aAhmad, Absar uhttps://library.ncl.res.in/content/isolation-purification-and-characterization-vinblastine-and-vincristine-endophytic-fungus-001536nas a2200157 4500008004100000022001400041245009100055210006900146260007100215300001400286490000600300520091700306100002501223700001501248856011501263 2013 eng d a1948-718500aIs it possible to change wettability of hydrophilic surface by changing its roughness?0 ait possible to change wettability of hydrophilic surface by chan a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcNOV a3692-36970 v43 a

Wetting behavior of model rough surfaces made of hydrophilic square pillars is investigated. The hydrophilic pillars are equally spaced on hydrophilic surface. The surface roughnesses are altered by varying the pillar width and interpillar spacing. Wetting to dewetting transition is observed for these surfaces. This is one of the first accounts of observation from molecular simulations where hydrophilic surface converts into hydrophobic by changing its roughness. The extent of hydrophilicities are also changed to gain more insightful observations. Energies of the wetting to dewetting transitions are analyzed by calculating the contribution from water water and water surface energy components. A correlation between energy and the wetting to dewetting transition has been established, which rationally explains the observed water repellent nature of hydrophilic surface as a function of roughness.

1 aPandey, Prithvi, Raj1 aRoy, Sudip uhttps://library.ncl.res.in/content/it-possible-change-wettability-hydrophilic-surface-changing-its-roughness-001266nas a2200169 4500008004100000022001400041245016200055210006900217260007100286300001400357490000700371520051800378100002300896700002400919700002200943856013100965 2014 eng d a1523-706000aI-2-catalyzed regioselective Oxo- and hydroxy-acyloxylation of alkenes and enol ethers: a facile access to alpha-acyloxyketones, esters, and diol derivatives0 aI2catalyzed regioselective Oxo and hydroxyacyloxylation of alken a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcNOV a5674-56770 v163 a

I-2-catalyzed oxo-acyloxylation of alkenes and enol ethers with carboxylic acids providing for the high yield synthesis of a-acyloxyketones and esters is described. This unprecedented regioselective oxidative process employs TBHP and Et3N in stoichiometric amounts under metal-free conditions in DMSO as solvent. Additionally, I-2-catalysis allows the direct hydroxy-acyloxylation of alkenes with the sequential addition of BH3 center dot SMe2 leading to monoprotected diol derivatives in excellent yields.

1 aReddi, Rambabu, N.1 aPrasad, Pragati, K.1 aSudalai, Arumugam uhttps://library.ncl.res.in/content/i-2-catalyzed-regioselective-oxo-and-hydroxy-acyloxylation-alkenes-and-enol-ethers-facile-002475nas a2200253 4500008004100000022001400041245014800055210006900203260010600272300001200378490000700390520147200397653002001869653002501889653001101914653002901925653002401954100002801978700002202006700002102028700002102049700002002070856013102090 2014 eng d a0965-174800aIdentification and expression profiling of helicoverpa armigera microRNAs and their possible role in the regulation of digestive protease genes0 aIdentification and expression profiling of helicoverpa armigera  aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcNOV a129-1370 v543 a

The present investigation is an effort to determine the possible roles of microRNAs (miRNAs) in the regulation of protease gene expression in Helicoverpa armigera upon exposure to plant protease inhibitors (PIs). Using Illumina platform, deep sequencing of 12 small RNA libraries was performed from H. armigera larvae fed on artificial diet (AD) or recombinant Capsicum annuum PI-7 (rCanPI-7) incorporated diet, at various time intervals (0.5, 2, 6, 12, 24, and 48 h). Sequencing data were analyzed with miRDeep2 software; a total of 186 unique miRNAs were identified from all the 12 libraries, out of which 96 were conserved while 90 were novel. These miRNAs showed all the conserved characteristics of insect miRNAs. Homology analysis revealed that most of the identified miRNAs were insect-specific, and more than 50 miRNAs were Lepidoptera-specific. Several candidate miRNAs (conserved and novel) were differentially expressed in rCanPI-7 fed larvae as compared to the larvae fed on AD. H. armigera miRNAs were found to have target sites in several protease genes as well as in protease regulation related genes such as serine PI and immune reactive PI. As expected, negative correlation in the relative abundance miRNAs and their target mRNAs was evident from qualitative real time polymerase chain reaction analysis. The investigation revealed potential roles of miRNAs in H. armigera protease gene regulation. (C) 2014 Elsevier Ltd. All rights reserved.

10aDeep sequencing10aHelicoverpa armigera10amiRNAs10aProtease gene regulation10aProtease inhibitors1 aLomate, Purushottam, R.1 aMahajan, Neha, S.1 aKale, Sandip, M.1 aGupta, Vidya, S.1 aGiri, Ashok, P. uhttps://library.ncl.res.in/content/identification-and-expression-profiling-helicoverpa-armigera-micrornas-and-their-possible-002064nas 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-nmr02546nas a2200349 4500008004100000022001400041245010800055210006900163260008000232300001400312490000800326520137300334653001401707653002001721653001501741653001201756100002501768700001701793700001901810700002001829700001901849700001901868700002601887700001801913700002101931700002101952700002301973700002901996700001602025700002402041856013102065 2014 eng d a0027-842400aIFN-gamma signaling maintains skin pigmentation homeostasis through regulation of melanosome maturation0 aIFNgamma signaling maintains skin pigmentation homeostasis throu a2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USAbNATL ACAD SCIENCEScFEB a2301-23060 v1113 a

Cellular homeostasis is an outcome of complex interacting processes with nonlinear feedbacks that can span distinct spatial and temporal dimensions. Skin tanning is one such dynamic response that maintains genome integrity of epidermal cells. Although pathways underlying hyperpigmentation cascade are recognized, negative feedback regulatory loops that can dampen the activated melanogenesis process are not completely understood. In this study, we delineate a regulatory role of IFN-gamma in skin pigmentation biology. We show that IFN-gamma signaling impedes maturation of the key organelle melanosome by concerted regulation of several pigmentation genes. Withdrawal of IFN-gamma signal spontaneously restores normal cellular programming. This effect in melanocytes is mediated by IFN regulatory factor-1 and is not dependent on the central regulator microphthalmia-associated transcription factor. Chronic IFN-gamma signaling shows a clear hypopigmentation phenotype in both mouse and human skin. Interestingly, IFN-gamma KO mice display a delayed recovery response to restore basal state of epidermal pigmentation after UV-induced tanning. Together, our studies delineate a new spatiotemporal role of the IFN-gamma signaling network in skin pigmentation homeostasis, which could have implications in various cutaneous depigmentary and malignant disorders.

10adetanning10agene regulation10ainterferon10amelanin1 aNatarajan, Vivek, T.1 aGanju, Parul1 aSingh, Archana1 aVijayan, Vinaya1 aKirty, Kritika1 aYadav, Shalini1 aPuntambekar, Shraddha1 aBajaj, Sonali1 aDani, Prachi, P.1 aKar, Hemanta, K.1 aGadgil, Chetan, J.1 aNatarajan, Krishnamurthy1 aRani, Rajni1 aGokhale, Rajesh, S. uhttps://library.ncl.res.in/content/ifn-gamma-signaling-maintains-skin-pigmentation-homeostasis-through-regulation-melanosome-002250nas a2200229 4500008004100000022001400041245010600055210006900161260007300230300001200303490000700315520140000322653002401722653003601746653001101782100002001793700001601813700002001829700002101849700002001870856013001890 2014 eng d a0141-813000aImmobilization of bile salt hydrolase enzyme on mesoporous SBA-15 for co-precipitation of cholesterol0 aImmobilization of bile salt hydrolase enzyme on mesoporous SBA15 aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcFEB a218-2240 v633 a

We describe herein a simple and effective strategy for immobilization of bile salt hydrolase enzyme by grafting glutaraldehyde groups inside channels of APTES functionalized SBA-15. The increase in glutaraldehyde concentration prevents leakage of enzyme but showed a steep decrease in enzyme activity in the immobilized matrix. So the degree of cross-linking should be the minimum possible to ensure sufficient stability without loss of activity. Cross-linking carried out with 0.1% glutaraldehyde concentration showed the highest activity, so this was used in all further experiments. Physico-chemical characterizations of the immobilized enzyme were carried out by XRD, N-2 adsorption, TEM, FUR and Si-29 CP-MAS NMR techniques. Immobilized BSH exhibits enhanced stability over a wide pH (3-11) and temperature range (40-80 degrees C) and retains an activity even after recycling experiments and six months of storage. From our in vivo research experiment toward co-precipitation of cholesterol, we have shown that immobilized BSH enzyme may be the promising catalyst for the reduction of serum cholesterol levels in our preliminary investigation. Enhancement in pH stability at the extreme side of pH may favor the use of immobilized BSH enzyme for drug delivery purpose to with stand extreme pH conditions in the gastrointestinal conditions. (C) 2013 Elsevier B.V. All rights reserved.

10aBile salt hydrolase10aCo-precipitation of cholesterol10aSBA-151 aBhange, Pallavi1 aSridevi, N.1 aBhange, Deu, S.1 aPrabhune, Asmita1 aRamaswamy, Veda uhttps://library.ncl.res.in/content/immobilization-bile-salt-hydrolase-enzyme-mesoporous-sba-15-co-precipitation-cholesterol-001848nas a2200253 4500008004100000022001400041245005200055210005200107260007700159300001000236490000600246520106800252653001701320653002401337653001901361653002101380653000901401100001701410700001601427700002001443700002001463700002501483856008601508 2014 eng d a1862-834600aImmune response to chemically modified proteome0 aImmune response to chemically modified proteome aBOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANYbWILEY-V C H VERLAG GMBHcFEB a19-340 v83 a

Both enzymatic and nonenzymatic PTMs of proteins involve chemical modifications. Some of these modifications are prerequisite for the normal functioning of cell, while other chemical modifications render the proteins as neo-self antigens, which are recognized as non-self leading to aberrant cellular and humoral immune responses. However, these modifications could be a secondary effect of autoimmune diseases, as in the case of type I diabetes, hyperglycemia leads to protein glycation. The enigma of chemical modifications and immune response is akin to the chick-and-egg paradox. Nevertheless, chemical modifications regulate immune response. In some of the well-known autoimmune diseases such as rheumatoid arthritis, systemic lupus erythematosus, and multiple sclerosis, chemically modified proteins act as autoantigens forming immune complexes. In some instances, chemical modifications are also involved in regulating immune response during pathogen infection. Further, the usefulness of proteomic analysis of immune complexes is briefly discussed.

10aAutoantibody10aAutoimmune diseases10aImmune complex10aImmunoproteomics10aPTMs1 aBhat, Shweta1 aMary, Sheon1 aBanarjee, Reema1 aGiri, Ashok, P.1 aKulkarni, Mahesh, J. uhttps://library.ncl.res.in/content/immune-response-chemically-modified-proteome-002258nas a2200229 4500008004100000022001400041245015800055210006900213260010600282300001200388490000700400520133500407653002701742653002201769653001701791653002001808100002301828700001701851700001901868700001901887856012201906 2014 eng d a0360-544200aImpact of experimental pressure and temperature on semiclathrate hydrate formation for pre-combustion capture of CO2 using tetra-n-butyl ammonium nitrate0 aImpact of experimental pressure and temperature on semiclathrate aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcDEC a458-4640 v783 a

TBANO(3) (tetra-n-butyl ammonium nitrate) is a promising liquid phase promoter for capturing CO2 via HBGS (hydrate based gas separation) technology. In this study, the impact of experimental pressure and temperature on formation of mixed CO2-H-2-TBANO(3) semiclathrate hydrate for the optimum 1.0 mol% TBANO(3) reported by Babu et al. [1] was investigated. Experimental pressures of 3.0, 4.5 and 6.0 MPa and temperatures of 274.2, 276.2 and 278.2 K were employed. Irrespective of the experimental pressure, shorter induction time was observed for experiments conducted at 274.2 K when compared to the experiments at other temperatures. At a given pressure, the total gas uptake increased with increase in experimental temperature. Similarly at a given temperature, the total gas uptake increases with an increase in pressure. Higher rate of hydrate formation was observed at experimental pressure of 6.0 MPa than at 3.0 and 4.5 MPa irrespective of the experimental temperature. The CO2 composition in hydrate was between 87.5 and 93.2 mol%. Finally, the gas consumption for 1.0 mol% TBANO(3) as promoter was much higher than other promoters of quaternary salts like tetra-n-butyl ammonium bromide and tetra-n-butyl ammonium fluoride at comparable concentration and driving force. (C) 2014 Elsevier Ltd. All rights reserved.

10aCarbon dioxide capture10aClathrate process10aGas hydrates10aSemi-clathrates1 aBabu, Ponnivalavan1 aDatta, Stuti1 aKumar, Rajnish1 aLinga, Praveen uhttps://library.ncl.res.in/content/impact-experimental-pressure-and-temperature-semiclathrate-hydrate-formation-pre-002006nas a2200181 4500008004100000022001400041245012600055210006900181260007100250300001400321490000700335520127600342100001901618700001901637700001901656700001901675856013001694 2014 eng d a0888-588500aImpact of fly ash impurity on the hydrate-based gas separation process for carbon dioxide capture from a flue gas mixture0 aImpact of fly ash impurity on the hydratebased gas separation pr a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcJUN a9849-98590 v533 a

The hydrate-based gas separation (HBGS) process for gas mixtures of CO2 + N-2 (flue gas) and CO2 + H-2 (fuel gas) has proven to be very efficient and highly selective for CO2 capture. In addition to CO2 and N-2, flue gas from coal-based thermal power stations can contain impurities such as nitrogen oxides (NOx), sulfur oxides (SOx), and fly ash. In this work, the impact of fly ash on the HBGS process efficiency was investigated. Tetrahydrofuran (THF, 1 mol %) was used as a thermodynamic promoter, and sodium dodecyl sulfate (SDS) and sodium dodecyl benzenesulfonate (SDBS) (anionic surfactants) were used as kinetic promoters. Whereas the use of THF in the HBGS process reduces the operating pressure significantly, both SDS and SDBS were found to enhance the rate of hydrate formation. It was observed that the hydrate equilibrium conditions did not change in the presence of fly ash. However, the presence of fly ash enhanced the separation efficiency of the HBGS process by reducing the induction time and increasing the kinetics of hydrate formation. Therefore, the presence of fly ash in a flue gas mixture is not detrimental to the HBGS process, which is a positive factor for the capture and geological sequestration of CO2 in the form of gas hydrates.

1 aKumar, Asheesh1 aSakpal, Tushar1 aLinga, Praveen1 aKumar, Rajnish uhttps://library.ncl.res.in/content/impact-fly-ash-impurity-hydrate-based-gas-separation-process-carbon-dioxide-capture-flue-002022nas a2200313 4500008004100000022001400041245012300055210006900178260009900247300001400346490000700360520092100367653002701288653002201315653001701337653001901354653001401373653003501387100002301422700002001445700001901465700001901484700001201503700001601515700001701531700001701548700001101565856013201576 2014 eng d a1876-610200aImpact of pressure and temperature on tetra-n-butyl ammonium bromide semi-clathrate process for carbon dioxide capture0 aImpact of pressure and temperature on tetranbutyl ammonium bromi aSara Burgerhartstraat 25, Po Box 211, 1000 AE Amsterdam, NetherlandsbElsevier Science BVcMAY a1780-17830 v613 a

The pre-combustion capture of CO2 in an IGCC power plant employing the hydrate based gas separation (HBGS) process is a novel method currently receiving attention around the world. Tetra-n-butyl ammonium bromide (TBAB) is a promoter that has been shown to improve the efficiency of hydrate formation. In this study, the effect of temperature and pressure on 0.3 mol% TBAB solution is investigated. The induction time for the experiments conducted at 6.0 MPa and 274.8 K was found to be lower, while nucleation became increasingly random as temperature is increased and pressure is reduced. Total gas uptake and normalized rate of hydrate formation (NR5) is also the highest for the experiments conducted at 6.0 MPa and 274.8 K. However, it was found that the hydrate phase CO2 composition remains relatively constant at both reduced temperatures and pressures. (C) 2014 The Authors. Published by Elsevier Ltd.

10aCarbon dioxide capture10aClathrate process10aGas hydrates10aGas separation10aPromoters10atetra-n-butyl ammonium bromide1 aBabu, Ponnivalavan1 aChin, Weng, Inn1 aKumar, Rajnish1 aLinga, Praveen1 aYan, J.1 aLee, D., J.1 aChou, S., K.1 aDesideri, U.1 aLi, H. uhttps://library.ncl.res.in/content/impact-pressure-and-temperature-tetra-n-butyl-ammonium-bromide-semi-clathrate-process-carbon02536nas a2200193 4500008004100000022001400041245015400055210006900209260011800278300001400396490000800410520169500418100002602113700001602139700001702155700002602172700001902198856012502217 2014 eng d a1350-087200aImproved method for specificity annotation shows a distinct evolutionary divergence among the microbial enzymes of the cholylglycine hydrolase family0 aImproved method for specificity annotation shows a distinct evol aMARLBOROUGH HOUSE, BASINGSTOKE RD, SPENCERS WOODS, READING RG7 1AG, BERKS, ENGLANDbSOC GENERAL MICROBIOLOGYcJUN a1162-11740 v1603 a

Bile salt hydrolases (BSHs) are gut microbial enzymes that play a significant role in the bile acid modification pathway. Penicillin V acylases (PVAs) are enzymes produced by environmental microbes, having a possible role in pathogenesis or scavenging of phenolic compounds in their microbial habitats. The correct annotation of such physiologically and industrially important enzymes is thus vital. The current methods relying solely on sequence homology do not always provide accurate annotations for these two members of the cholylglycine hydrolase (CGH) family as BSH/PVA enzymes. Here, we present an improved method [binding site similarity (BSS)-based scoring system] for the correct annotation of the CGH family members as BSH/PVA enzymes, which along with the phylogenetic information incorporates the substrate specificity as well as the binding site information. The BSS scoring system was developed through the analysis of the binding sites and binding modes of the available BSH/PVA structures with substrates glycocholic acid and penicillin V. The 198 sequences in the dataset were then annotated accurately using BSS scores as BSH/PVA enzymes. The dataset presented contained sequences from Gram-positive bacteria, Gram-negative bacteria and archaea. The clustering obtained for the dataset using the method described above showed a clear distinction in annotation of Gram-positive bacteria and Gram-negative bacteria Based on this clustering and a detailed analysis of the sequences of the CGH family in the dataset, we could infer that the CGH genes might have evolved in accordance with the hypothesis stating the evolution of diderms and archaea from the monoderms.

1 aPanigrahi, Priyabrata1 aSule, Manas1 aSharma, Ranu1 aRamasamy, Sureshkumar1 aSuresh, C., G. uhttps://library.ncl.res.in/content/improved-method-specificity-annotation-shows-distinct-evolutionary-divergence-among-001682nas a2200229 4500008004100000022001400041245010200055210006900157260000900226300001200235490000800247520087300255653001901128653004501147653001601192653001801208100002301226700002701249700002401276700002501300856012701325 2014 eng d a0013-468600aImproving the energy density of Li-ion capacitors using polymer-derived porous carbons as cathode0 aImproving the energy density of Liion capacitors using polymerde cJUN  a766-7700 v1303 a

High energy density Li-ion hybrid electrochemical capacitors (Li-HEC) are fabricated with 3 D architectured high surface area porous carbon (HSPC) derived from the poly(acrylamide-co-acrylic acid) potassium salt in a single step without any activating agent. The obtained HSPC exhibits high specific surface area of 1490 m(2) g(-1) and characterized with several analytical techniques. Li-HEC is fabricated with insertion type Li4Ti5O12 anode by adjusting the mass balance based on the single electrode performance with Li. The Li-HEC delivered the maximum energy density of similar to 55 Wh kg(-1), which is much higher than commercially available activated carbon (similar to 36 Wh kg(-1)). Further HSPC based Li-HEC delivered excellent cycleability and rendered similar to 87% of initial value after 2000 cycles. (C) 2014 Elsevier Ltd. All rights reserved.

10aenergy density10aLi-ion hybrid electrochemical capacitors10anon-aqueous10aporous carbon1 aPuthusseri, Dhanya1 aAravindan, Vanchiappan1 aMadhavi, Srinivasan1 aOgale, Satishchandra uhttps://library.ncl.res.in/content/improving-energy-density-li-ion-capacitors-using-polymer-derived-porous-carbons-cathode01638nas a2200181 4500008004100000245013200041210006900173260000800242490000600250520093800256100001801194700001801212700003001230700002401260700002001284700002101304856013101325 2014 eng d00aIn situ characterisation of nanoscale electromechanical properties of quasi-two-dimensional MoS2 and MoO3, arXiv preprint arXiv0 aIn situ characterisation of nanoscale electromechanical properti cSEP0 v13 a

Precise manipulation of electronic band structures of two-dimensional (2D) transition metal dichalcogenides and oxides (TMD&Os) via localised strain engineering is an exciting avenue for exploiting their unique characteristics for electronics, optoelectronics, and nanoelectromechanical systems (NEMS) applications. This work experimentally demonstrates that mechanically-induced electrical transitions can be engineered in quasi-2D molybdenum disulphide (MoS2) and molybdenum trioxide (MoO3) using an in situ electrical nanoindentation technique. It is shown that localised strains on such quasi-2D layers can induce carrier transport alterations, thereby changing their electrical conduction behaviour. Such strain effects offer a potential tool for precisely manipulating the electronic transport properties of 2D TMD&Os, and understanding the interactions of the atomic electronic states in such layered materials.

1 aWalia, Sumeet1 aNili, Hussein1 aBalendhran, Sivacarendran1 aLate, Dattatray, J.1 aSriram, Sharath1 aBhaskaran, Madhu uhttps://library.ncl.res.in/content/situ-characterisation-nanoscale-electromechanical-properties-quasi-two-dimensional-mos2-and02191nas a2200217 4500008004100000022001400041245011000055210006900165260008000234300001200314490000700326520133700333653002301670653002401693653003101717653002401748100001701772700003701789700001901826856012801845 2014 eng d a1367-543500aIn situ pH management for microbial culture in shake flasks and its application to increase plasmid yield0 aIn situ pH management for microbial culture in shake flasks and  aTIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANYbSPRINGER HEIDELBERGcAPR a647-6550 v413 a

Shake flasks are widely used to culture microorganisms, but they do not allow for pH control without additional infrastructure. In the presence of a carbon source like glucose, culture pH typically decreases due to overflow metabolism and can limit the growth of microorganisms in shake flasks. In this study, we demonstrate the use of magnesium hydroxide-loaded pH managing hydrogels (m-pHmH) for in situ base release to counter the decrease in culture pH in shake flasks using Escherichia coli as a model organism, in both complex and mineral salts medium. Base release from m-pHmH is shown to increase with decreasing pH (22-fold increase in release rate from pH 8 to 5), thus providing feedback from culture pH. The addition of m-pHmH resulted in better pH maintenance and higher biomass yields of E. coli K12 in media containing glucose as a carbon source. The use of m-pHmH with additional buffer resulted in pH being maintained above 6.9 while pH decreases below 5 without m-pHmH. We demonstrate one application of such in situ pH management to increase the volumetric plasmid yield from E. coli in shake flask culture. In situ glucose release through a hydrogel to mimic fed-batch culture along with the addition of m-pHmH resulted in a 395 % increase in volumetric plasmid yield to 38 mu g/ml in shake flask culture.

10aIn situ pH control10aMagnesium hydroxide10apH-responsive base release10aShake flask culture1 aSanil, Reenu1 aMaralingannavar, Vishwanathgouda1 aGadgil, Mugdha uhttps://library.ncl.res.in/content/situ-ph-management-microbial-culture-shake-flasks-and-its-application-increase-plasmid-002002nas a2200253 4500008004100000022001400041245013400055210006900189260007300258300001200331490000700343520106300350653001401413653002501427653001901452653001701471653002301488653002301511100002301534700002001557700001901577700003001596856012201626 2014 eng d a0928-493100aIn situ synthesized BSA capped gold nanoparticles: effective carrier of anticancer drug methotrexate to MCF-7 breast cancer cells0 aIn situ synthesized BSA capped gold nanoparticles effective carr aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcJAN a158-1670 v343 a

The proficiency of MTX loaded BSA capped gold nanoparticles (Au-BSA-MTX) in inhibiting the proliferation of breast cancer cells MCF-7 as compared to the free drug Methotrexate (MTX) is demonstrated based on MTT and Ki-67 proliferation assays. In addition, DNA ladder gel electrophoresis studies, flow cytometry and TUNEL assay confirmed the induction of apoptosis by MTX and Au-BSA-MTX in MCF-7 cells. Notably, Au-BSA-MTX: was found to have higher cytotoxicity on MCF-7 cells compared with an equivalent dose of free MTX. The enhanced activity is attributed to the preferential uptake of Au-BSA-MTX particles by MCF-7 cells due to the presence of BSA that acts as a source of nutrient and energy to the rapidly proliferating MCF-7 cells. Moreover, the targeting ability of the drug MTX to the over expressed folate receptors on MCF-7 cells also contributes to the enhanced uptake and activity. Taken together, these results unveil that Au-BSA-MTX could be more effective than free drug for cancer treatment. (C) 2013 Elsevier B.V. All rights reserved.

10aApoptosis10aBovine serum albumin10aCancer therapy10aCytotoxicity10aDual active agents10agold nanoparticles1 aMurawala, Priyanka1 aTirmale, Amruta1 aShiras, Anjali1 aPrasad, Bhagavatula L. V. uhttps://library.ncl.res.in/content/situ-synthesized-bsa-capped-gold-nanoparticles-effective-carrier-anticancer-drug-002229nas a2200193 4500008004100000022001400041245011400055210006900169260007100238300001400309490000700323520147700330100001801807700001601825700001901841700003101860700001801891856012601909 2014 eng d a0006-296000aIn the sense of transcription regulation by G-quadruplexes: asymmetric effects in sense and antisense strands0 aIn the sense of transcription regulation by Gquadruplexes asymme a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcJUN a3711-37180 v533 a

G-Quadruplexes occupy important regulatory regions in the genome. DNA G-quadruplexes in the promoter regions and RNA quadruplexes in the UTRs (untranslated regions) have been individually studied and variously implicated at different regulatory levels of gene expression. However, the formation of G-quadruplexes in the sense and antisense strands and their corresponding roles in gene regulation have not been studied in much detail. In the present study, we have elucidated the effect of strand asymmetry in this context. Using biophysical methods, we have demonstrated the formation of stable G-quadruplex structure in vitro using CD and UV melting. Additionally, ITC was employed to demonstrate that a previously reported selective G-quadruplex ligand was able to bind and stabilize the G-quadruplex in the present sequence. Further, we have shown using reporter constructs that although the DNA G-quadruplex in either strand can reduce translation efficiency, transcriptional regulation differs when G-quadruplex is present in the sense or antisense strand. We demonstrate that the G-quadruplex motif in the antisense strand substantially inhibits transcription, while when in the sense strand, it does not affect transcription, although it does ultimately reduce translation. Further, it is also shown that the G-quadruplex stabilizing ligand can enhance this asymmetric transcription regulation as a result of the increased stabilization of the G-quadruplex.

1 aAgarwal, Tani1 aRoy, Saumya1 aKumar, Santosh1 aChakraborty, Tushar, Kanti1 aMaiti, Souvik uhttps://library.ncl.res.in/content/sense-transcription-regulation-g-quadruplexes-asymmetric-effects-sense-and-antisense-002000nas a2200169 4500008004100000022001400041245013100055210006900186260011000255300001600365490000700381520124000388100002501628700001701653700003001670856013001700 2014 eng d a1477-922600aIn1-XGaXN@ZnO: a rationally designed and quantum dot integrated material for water splitting and solar harvesting applications0 aIn1XGaXNZnO a rationally designed and quantum dot integrated mat aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcSEP a12546-125540 v433 a

The highly desirable combination of the visible light absorption properties of In1-xGaxN Quantum dots (QD) along with the multifunctionality of ZnO into a single integrated material was prepared for solar harvesting. This is the first report on InGaN QD integrated with ZnO (InGaN@ZnO), synthesized by a highly reproducible, simple combustion method in 15 min. Structural, microstructural and electronic integration of the nitride and oxide components of InGaN@ZnO was demonstrated by appropriate characterization methods. Self-assembly of InGaN QD is induced in growing nascent zinc oxo nanoclusters taking advantage of the common wurtzite structure and nitrogen incorporation at the expense of oxygen vacancies. Direct integration brings about a single phase structure exhibiting extensive visible tight absorption and high photostability. InGaN@ZnO suggests synergistic operation of tight harvesting and charge conducting components for solar H-2 generation without using any co-catalyst or sacrificial agent, and a promising photocurrent generation at 0 V under visible light illumination. The present study suggests a direct integration of QD with the host matrix and is a potential method to realize the advantages of QDs.

1 aRajaambal, Sivaraman1 aMapa, Maitri1 aGopinath, Chinnakonda, S. uhttps://library.ncl.res.in/content/in1-xgaxnzno-rationally-designed-and-quantum-dot-integrated-material-water-splitting-and-001896nas a2200265 4500008004100000022001400041245012500055210006900180260010600249300001200355490000800367520090000375653001001275653002201285653001601307653001901323100002201342700002401364700002101388700001901409700002701428700002501455700002401480856012601504 2014 eng d a0013-468600aIndanthrone derived disordered graphitic carbon as promising insertion anode for sodium ion battery with long cycle life0 aIndanthrone derived disordered graphitic carbon as promising ins aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcNOV a218-2230 v1463 a

We report facile, one step synthesis of disordered graphitic carbon by high temperature (1000 degrees C) pyrolysis of indanthrone dye (ID). The pyrolysed carbon is disordered in nature and the same is clearly evidenced by various analytical techniques like X-ray diffraction, Raman spectroscopy and high resolution transmission electron microscopy. Na-insertion properties of such indanthrone dye derived disordered graphitic carbon (IDDGC) is evaluated in half-cell assembly (Na/IDDGC). The test cell delivered a reversible capacity of similar to 160 mAh g(-1) at current density of 25 mAg 1. In addition, excellent cycling profiles are noted for such IDDGC, which retains 67% of initial reversible capacity after 500 cycles. The present study clearly highlights the importance of disorder in the graphitic carbon for efficient Na-ion storage. (C) 2014 Elsevier Ltd. All rights reserved.

10aanode10adisordered carbon10aindanthrone10aNa-ion battery1 aSuryawanshi, Anil1 aMhamane, Dattakumar1 aNagane, Satyawan1 aPatil, Shankar1 aAravindan, Vanchiappan1 aOgale, Satishchandra1 aSrinivasan, Madhavi uhttps://library.ncl.res.in/content/indanthrone-derived-disordered-graphitic-carbon-promising-insertion-anode-sodium-ion-002032nas a2200133 4500008004100000245012900041210006900170260000800239300001400247490000600261520147300267100003001740856012801770 2014 eng d00aInfluence of different species of Penicillium and their culture filtrates on seed germination and seedling growth of sorghum0 aInfluence of different species of Penicillium and their culture  cDEC a832 - 8370 v53 aThe present investigations influence of Penicillium species and their culture filtrates on the seed germination and seedling growth of sorghum was studied. Culture filtrate of P. nordicum, P. verrucosum, P. chrysogenum, P. commune, P. citrinum, P.camemberti and P. digitatum were comparatively more toxic and significantly inhibited the seed germination and seedling growth varied with the species. However, pathogenicity of different inoculum of Penicillium species also exhibited varying seedling growth inhibition with P. citrinum, P. chrysogenum, P. commune, P. italicum, P. verrucosum and P. expansum assayed by water agar method. A significant phytotoxicity of these species inhibited coleoptile 32-70%, radicle 10-87% and leaf growth 20-86% with correlation coefficient 0.65, 0.67 and 0.79%, and were observed respectively. In-vitro mycotoxin production was assayed by culture filtrates of major mycotoxigenic strains revealed production of ochratoxin A (OTA), cyclopiazonic acid (CPA), rubratoxin B (RTB), griseofulvin (GRI), citrinin (CIT), patulin (PAT), penitrem A (PENA) and mycophenolic acid (MPA) screened by TLC/HPLC. Toxicity of species of Penicillium on seed germination, coleoptile, radicle, and leaf elongation inhibition may be attributed to the toxin-chemotypes produced by the species of Penicillium. However, even non-toxigenic strains of Penicillium also caused mild inhibition which may be attributed to the presence of other toxin-chemotypes.1 aVankudoth, Koteswara, Rao uhttps://library.ncl.res.in/content/influence-different-species-penicillium-and-their-culture-filtrates-seed-germination-and01996nas a2200241 4500008004100000022001400041245011800055210006900173260011000242300001600352490000600368520106800374100001801442700001801460700001601478700001701494700001701511700002101528700002901549700002101578700002301599856013201622 2014 eng d a2046-206900aInfluence of method of preparation on the activity of La-Ni-Ce mixed oxide catalysts for dry reforming of methane0 aInfluence of method of preparation on the activity of LaNiCe mix aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcOCT a50226-502320 v43 a

La-Ni-x-Ce1-x mixed oxide catalysts were prepared by a sol-gel method varying the Ni composition (0 <= x <= 1). The catalysts were characterized by X-ray diffraction (XRD), inductively coupled plasma optical emission spectroscopy (ICP-OES), BET surface area, X-ray photoelectron spectroscopy (XPS), temperature-programmed reduction (TPR), H-2 chemisorption and Fourier transform infrared spectroscopy (FT-IR) techniques. CO2 reforming of methane was carried out at atmospheric pressure and 800 degrees C, maintaining a reactant CO2/CH4/N-2 ratio of 80/80/80 (total flow rate = 240 ml min(-1), GHSV of 28 800 h(-1)). The catalysts offered higher activity even at lower Ni compositions. LaNi0.4Ce0.6O3. showed the highest conversion of CH4 and CO2. The H-2/CO ratio in the syngas was stable at 0.85 +/- 0.02. The performance of the sol-gel catalysts was compared with that of the hydrothermally prepared catalysts, reported earlier. High surface area and better Ni dispersion were found to be the reasons for superior activity of the sol-gel catalysts.

1 aSagar, T., V.1 aSreelatha, N.1 aHanmant, G.1 aSurendar, M.1 aLingaiah, N.1 aRao, K., S. Rama1 aSatyanarayana, C., V. V.1 aReddy, I., A. K.1 aPrasad, P., S. Sai uhttps://library.ncl.res.in/content/influence-method-preparation-activity-la-ni-ce-mixed-oxide-catalysts-dry-reforming-methane-001936nas 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-002498nas a2200169 4500008004100000022001400041245019300055210006900248260009100317300001100408490000600419520171600425100001702141700002602158700001902184856012502203 2014 eng d a1932-620300aIn-Silico analysis of binding site features and substrate selectivity in plant flavonoid-3-o glycosyltransferases (F3GT) through molecular modeling, docking and dynamics simulation studies0 aInSilico analysis of binding site features and substrate selecti a1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USAbPUBLIC LIBRARY SCIENCEcMAR ae926360 v93 a

Flavonoids are a class of plant secondary metabolites that act as storage molecules, chemical messengers, as well as participate in homeostasis and defense processes. They possess pharmaceutical properties important for cancer treatment such as antioxidant and anti-tumor activities. The drug-related properties of flavonoids can be improved by glycosylation. The enzymes glycosyltransferases (GTs) glycosylate acceptor molecules in a regiospecific manner with the help of nucleotide sugar donor molecules. Several plant GTs have been characterized and their amino acid sequences determined. However, three-dimensional structures of only a few are reported. Here, phylogenetic analysis using amino acid sequences have identified a group of GTs with the same regiospecific activity. The structures of these closely related GTs were modeled using homologous GT structures. Their substrate binding sites were elaborated by docking flavonoid acceptor and UDP-sugar donor molecules in the modeled structures. Eight regions near the acceptor binding site in the N- and C-terminal domain of GTs have been identified that bind and specifically glycosylate the 3-OH group of acceptor flavonoids. Similarly, a conserved motif in the C-terminal domain is known to bind a sugar donor substrate. In certain GTs, the substitution of a specific glutamine by histidine in this domain changes the preference of sugar from glucose to galactose as a result of changed pattern of interactions. The molecular modeling, docking, and molecular dynamics simulation studies have revealed the chemical and topological features of the binding site and thus provided insights into the basis of acceptor and donor recognition by GTs.

1 aSharma, Ranu1 aPanigrahi, Priyabrata1 aSuresh, C., G. uhttps://library.ncl.res.in/content/silico-analysis-binding-site-features-and-substrate-selectivity-plant-flavonoid-3-o-002145nas a2200217 4500008004100000022001400041245014700055210006900202260007900271300001400350490000800364520126400372653002101636653002601657653002701683653003401710653002601744100001801770700001401788856012501802 2014 eng d a0273-228900aInteractions of a low molecular weight inhibitor from streptomyces sp. MBR04 with human cathepsin D: implications in mechanism of inactivation0 aInteractions of a low molecular weight inhibitor from streptomyc a999 RIVERVIEW DRIVE SUITE 208, TOTOWA, NJ 07512 USAbHUMANA PRESS INCcNOV a1705-17230 v1743 a

Cathepsin D, a lysosomal aspartic protease, is of potential interest as a target for drug design due to its implication in breast and ovarian cancer. The article reports a low molecular weight cathepsin D inhibitor from Streptomyces sp. MBR04. The M-r of the inhibitor was 1,078 Da as determined by MALDI-TOF, and the amino acid analysis showed the presence of Asp, Asp, Gly, Ala, Lys, Leu, Tyr, Trp residues. The steady-state kinetic interactions revealed reversible, competitive, slow-tight-binding nature of the inhibitor with an IC50 and K (i) values of 3.2 and 2.5 nM, respectively. The binding of the inhibitor with the enzyme and the subsequent conformational changes were monitored by exploiting the intrinsic fluorescence of the surface exposed Trp-54 residue. Based on the fluorescence and circular dichroism studies, we demonstrate that the inhibitor binds to the active site of cathepsin D and causes inactivation. All these kinetic, thermodynamic, and quenching studies suggest that the newly isolated peptidic inhibitor could be a potential scaffold to study and can be used to develop new potent therapeutic lead molecule for the development of drugs. The inhibitor will be significant as a potential lead molecule to target cathepsin D.

10aCancer treatment10aCathepsin D inhibitor10aInactivation mechanism10aSlow-tight-binding inhibition10aStreptomyces sp MBR041 aMenon, Vishnu1 aRao, Mala uhttps://library.ncl.res.in/content/interactions-low-molecular-weight-inhibitor-streptomyces-sp-mbr04-human-cathepsin-d-000669nas a2200181 4500008004100000245010900041210006900150260000800219300001400227490000700241100001900248700001400267700002100281700001800302700001900320700002700339856012100366 2014 eng d00aInterchain relay of antiferromagnetic ordering in 1D Co(II) coordination polymers via pi-pi interactions0 aInterchain relay of antiferromagnetic ordering in 1D CoII coordi cSEP a8523-85300 v161 aAhmad, Musheer1 aDas, Raja1 aMrozinski, Jerzy1 aBienko, Alina1 aPoddar, Pankaj1 aBharadwaj, Parimal, K. uhttps://library.ncl.res.in/content/interchain-relay-antiferromagnetic-ordering-1d-coii-coordination-polymers-pi-pi-001630nas a2200181 4500008004100000022001400041245010700055210006900162260007100231300001400302490000700316520092200323100002701245700002001272700001801292700001601310856012201326 2014 eng d a1549-961800aIntermediate hamiltonian fock space multireference coupled cluster approach to core excitation spectra0 aIntermediate hamiltonian fock space multireference coupled clust a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcSEP a3656-36680 v103 a

The Fock space multireference coupled cluster (FSMRCC) method provides an efficient approach for the direct calculation of excitation energies. In intermediate Hamiltonian (IH-FSMRCC) formulation, the method is free from intruder state problems and associated convergence difficulties, even with a large model space. In this paper, we demonstrate that the IH-FSMRCC method with suitably chosen model space can be used for the accurate description of core excitation spectra of molecules, and our results are in excellent agreement with the experimental values. We have investigated the effect of choice of model space on the computed results. Unlike the equation-of-motion (EOM)-based method, the IH-FSMRCC does not require any special technique for convergence and in singles and doubles approximation gives a performance comparable to that of the standard EOMEE-CCSD method, even better in some of the cases.

1 aDutta, Achintya, Kumar1 aGupta, Jitendra1 aVaval, Nayana1 aPal, Sourav uhttps://library.ncl.res.in/content/intermediate-hamiltonian-fock-space-multireference-coupled-cluster-approach-core-001757nas a2200241 4500008004100000022001400041245008700055210006900142260007100211300001400282490000600296520090500302653002501207653002301232653002901255653001301284653001701297100002101314700001801335700002201353700002201375856011801397 2014 eng d a2168-048500aInvestigation of C-C bond formation mediated by bombyx mori silk fibroin materials0 aInvestigation of CC bond formation mediated by bombyx mori silk  a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcJUN a1510-15170 v23 a

The formation of C-C bonds is a prerequisite for all life on earth. Understanding the role of proteins in mediating the formation of these bonds is important for understanding biological mechanisms in evolution, as well as for designing ``green catalysts''. In this work, the ability of silk fibroin (SF) proteins to mediate selective C-C bond formation under mild conditions was comprehensively evaluated and compared between different SF-based materials and other proteins. Aqueous SF solution (ASFS), freeze-dried SF (FDSF), mesoporous SF (MPSF), and SF hydrogel (SFHG) materials were prepared and characterized by a variety of techniques including, among others, FE-SEM, ICP-OES, FT-IR, and TGA. The nitroaldol (Henry) reaction, Knoevenagel condensation, and direct aldol reaction were used as models for this study, in which the recovery and reusability of the protein was also evaluated.

10aAldol-like reactions10aC-C Bond formation10aKnoevenagel condensation10aProteins10aSilk fibroin1 aKuehbeck, Dennis1 aGhosh, Munmun1 aGupta, Sayam, Sen1 aDiaz, David, Diaz uhttps://library.ncl.res.in/content/investigation-c-c-bond-formation-mediated-bombyx-mori-silk-fibroin-materials-002064nas a2200217 4500008004100000022001400041245012200055210006900177260007300246300001200319490000800331520120300339653001901542653003301561653002201594653002701616100002401643700002801667700002201695856012901717 2014 eng d a0376-738800aInvestigation of gas permeation properties of film forming polymeric ionic liquids (PILs) based on polybenzimidazoles0 aInvestigation of gas permeation properties of film forming polym aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcNOV a494-5030 v4703 a

Polymeric ionic liquids (PILs) are emerging as new generation membrane materials for CO2 separation. Gas permeation properties of a recently developed PIL family based on three structurally different polybenzimidazoles (PBIs) possessing excellent film forming characteristics are reported. Effects of cationic backbone and anions on gas permeation properties of PILs using pure gases (He, H-2, N-2, CH4, and CO2) were examined at 20 atm upstream pressure and correlated with their physical properties. In comparison to the parent PBIs, PILs exhibited generally higher CO2 permeability, without largely affecting CO2 based selectivity. Some of these PILs exhibiting high PCO2/PCH4, selectivity and P-H2/P-CO2, approaching similar to 1 indicated dominance of CO2 sorption over diffusion. The CO2 sorption specificity of these PILs was distinctly observed based on their improved S-CO2/S-N2, S-CO2/S-CH4 and S-CO2/S-H2 selectivity than their parent PBIs. A large variation in permeation properties of PILs based on a common polycation but different anions indicated that anions play a crucial role on governing gas permeation properties of these PILs. (C) 2014 Elsevier B.V. All rights reserved

10aGas permeation10aMembranes for CO2 separation10aPolybenzimidazole10aPolymeric ionic liquid1 aBhavsar, Rupesh, S.1 aKumbharkar, Santosh, C.1 aKharul, Ulhas, K. uhttps://library.ncl.res.in/content/investigation-gas-permeation-properties-film-forming-polymeric-ionic-liquids-pils-based-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-m1-4-001584nas a2200157 4500008004100000022001400041245011200055210006900167260007700236300001400313490000700327520093000334100001701264700001601281856012901297 2014 eng d a1439-423500aInvoking pairwise interactions in water-promoted diels-alder reactions by using ionic liquids as cosolvents0 aInvoking pairwise interactions in waterpromoted dielsalder react aBOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANYbWILEY-V C H VERLAG GMBHcOCT a3067-30770 v153 a

Rate constants and derived activation parameters of organic reactions in aqueous media, in particular Diels-Alder reactions, are sensitive to the presence of cosolvents in water. To enhance the solubility window of water, we introduced ionic liquids as cosolvents in the aqueous Diels-Alder reaction between anthracene-9-carbinol and N-ethylmaleimide. The reactive potentials of the organic compounds are parameterized by using semi-empirical quantum chemical methods. The principle of Savage-Wood additivity of group interactions is used to quantify the pairwise group interactions among chemically inert ionic liquids and organic reactants, both at initial and transition states of the reaction. The present approach shows promise, as the use of simple calculations from easily available kinetic data can help researchers to understand the versatility of green ionic-liquid alternatives to volatile organic solvents.

1 aManna, Arpan1 aKumar, Anil uhttps://library.ncl.res.in/content/invoking-pairwise-interactions-water-promoted-diels-alder-reactions-using-ionic-liquids-001215nas a2200181 4500008004100000022001400041245018400055210006900239260011000308300001400418490000700432520038000439100002100819700002300840700001700863700002200880856013100902 2014 eng d a1477-052000aIodine-catalyzed aromatization of tetrahydrocarbazoles and its utility in the synthesis of glycozoline and murrayafoline A: a combined experimental and computational investigation0 aIodinecatalyzed aromatization of tetrahydrocarbazoles and its ut aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcJUN a4832-48360 v123 a

A new protocol for the aromatization of tetrahydrocarbazoles has been achieved using a catalytic amount of iodine, giving high yields. The role of iodine in the aromatization has been explained by DFT, and its wide scope is extended to the total synthesis of glycozoline and murrayafoline A. This method has proven to be tolerant of a broad range of functional groups.

1 aHumne, Vivek, T.1 aDangat, Yuvraj, B.1 aVanka, Kumar1 aLokhande, Pradeep uhttps://library.ncl.res.in/content/iodine-catalyzed-aromatization-tetrahydrocarbazoles-and-its-utility-synthesis-glycozoline-001183nas a2200157 4500008004100000022001400041245015000055210006900205260007100274300001600345490000800361520049100369100001400860700001900874856013200893 2014 eng d a1932-744700aIonic control on the morphology of ytterbium manganese oxide nanorods and nanoplates in a surfactant-free synthesis and their magnetic properties0 aIonic control on the morphology of ytterbium manganese oxide nan a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcJUN a13268-132750 v1183 a

Here, we report the synthesis of multiferroic, single-crystalline ID YbMnO3 in nanoregime. By using ionic chemistry without the use of surfactant or template, we demonstrate control synthesis of one- and two-dimensional nanoparticles of YbMnO3. Magnetic properties of YbMnO3 show influence of morphology. Detailed alternating current (ac) and direct current (dc) magnetic study shows ferromagnetic interaction of Mn3+ and Yb3+ moments in nanorods of YbMnO3 below similar to 35 K.

1 aDas, Raja1 aPoddar, Pankaj uhttps://library.ncl.res.in/content/ionic-control-morphology-ytterbium-manganese-oxide-nanorods-and-nanoplates-surfactant-free-002001nas a2200157 4500008004100000022001400041245007500055210006900130260007100199300001400270490000800284520140900292100001501701700002101716856010601737 2014 eng d a1089-563900aIonization-induced tautomerization in cytosine and effect of solvation0 aIonizationinduced tautomerization in cytosine and effect of solv a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcJUL a5323-53320 v1183 a

The recent observation of excitation-induced tautomerization in gas-phase cytosine motivated us to investigate the possibility of facile tautomerization in ionized cytosine and the effect of solvation on the tautomerization barriers. The tautomerization mechanisms were characterized at the density functional theory (DFT)omega B97X-D and coupled-cluster singles and doubles (CCSD) levels of theory. Vertical and adiabatic ionization energies (VIEs and AIEs, respectively) of the tautomers of cytosine and the microsolvated species were calculated with the equation-of-motion ionization-potential coupled-cluster (EOM-IP-CCSD) method. We observed that, in microsolvated cytosine, the solvatochromic shifts of the VIEs can be both blue- and red-shifted depending on the tautomers. This is explained by the analysis of the charge dipole interactions between the cytosine and water molecules. We noticed that, upon ionization, gas-phase tautomerization barriers are reduced by 0-4 kcal/mol, whereas microsolvated (with one water) tautomerization barriers are reduced by 4-5 kcal/mol. We also investigated the tautomerization process in solvation using a continuum model with one active water molecule in the quantum mechanical region. We noticed that, even though bulk solvation has a significant effect on ionization energies, its effect on the ionization-induced tautomerization barrier is minimal.

1 aDas, Tamal1 aGhosh, Debashree uhttps://library.ncl.res.in/content/ionization-induced-tautomerization-cytosine-and-effect-solvation-001479nas a2200121 4500008004100000245006000041210005900101260000800160520104600168100002401214700002601238856009301264 2014 eng d00aIsohexide-diacetal based polymers and a process thereof0 aIsohexidediacetal based polymers and a process thereof cNOV3 a

The present invention discloses isohexide based compounds and their polymers which are derived from renewable resources and are potentially degradable. Also disclosed herein is the synthesis of isohexide based monomers and their polymers from renewable resources which are potentially degradable. Further, the present invention disclose a process for the synthesis of isohexide based copolymers via copolymerization of isohexide based monomers and long chain diols, which are degradable. (FR)Cette invention concerne des composés à base d'isohexide et leurs polymères qui sont dérivés de ressources renouvelables et sont potentiellement dégradables. Cette invention concerne également la synthèse de monomères à base d'isohexide et leurs polymères à partir de ressources renouvelables qui sont potentiellement dégradables. Un procédé de synthèse de copolymères à base d'isohexide par copolymérisation desdits monomères à base d'isohexide et de diols à chaîne longue, qui sont dégradables, est en outre décrit.

1 aChikkali, Samir, H.1 aRajput, Bhausaheb, S. uhttps://library.ncl.res.in/content/isohexide-diacetal-based-polymers-and-process-thereof02802nas a2200241 4500008004100000022001400041245015300055210006900208260009000277300001400367490000700381520183700388653002602225653001302251653002402264100002202288700002902310700002502339700002402364700002402388700002702412856012102439 2014 eng d a1388-020900aIsolation, characterization and antihyperlipidemic activity of secoisolariciresinol diglucoside in poloxamer-407-induced experimental hyperlipidemia0 aIsolation characterization and antihyperlipidemic activity of se aTELEPHONE HOUSE, 69-77 PAUL STREET, LONDON EC2A 4LQ, ENGLANDbINFORMA HEALTHCAREcSEP a1094-11030 v523 a

Context: Linum usitatissimum L. (Linaceae), commonly known as flaxseed, is a good source of dietary fiber and lignans. Earlier we reported cardioprotective, antihyperlipidemic, and in vitro antioxidant activity of flax lignan concentrate (FLC) obtained from flaxseed. Objectives: To isolate secoisolariciresinol diglucoside (SDG) from FLC and to evaluate the antihyperlipidemic activity of SDG in poloxamer-407 (P-407)-induced hyperlipidaemic mice. Material and methods: FLC was subjected to column chromatography and further subjected to preparative HPTLC to isolate SDG. The chemical structure of the isolated compound was elucidated by UV, IR, H-1 NMR, C-13 NMR, DEPT, COSY, HSQC, HMBC, ROESY, MS, and specific optical rotation was recorded. Further, we have investigated the antihyperlipidaemic effect of SDG (20 mg/kg) in P-407-induced hyperlipidaemic rats. Hyperlipidaemia was induced by intraperitoneal administration of P-407 (30% w/v). Serum lipid parameters such as total cholesterol (TC), triglycerides (TG), and high-density lipoprotein cholesterol (HDL-C) levels were measured. Results and discussion: The structure and stereochemistry of the isolated compound were confirmed on the basis of 1D and 2D spectral data and characterized as SDG. Finally, isolated pure SDG was screened using a P-407-induced mice model for its antihyperlipidemic action using serum lipid parameters. The isolated SDG (20 mg/kg) significantly reduced serum cholesterol, triglyceride (p<0.001), very low-density lipoprotein (p<0.05), and non-significantly increased HDL-C. Conclusion: Finally, it was concluded unequivocally that SDG showed antihyperlipidaemic effects in P-407-induced hyperlipidaemic mice. Isolated pure SDG confirms that SDG is beneficial in the prevention of experimental hyperlipidemia in laboratory animals.

10acolumn chromatography10aflaxseed10aLinum usitatissimum1 aZanwar, Anand, A.1 aHegde, Mahabaleshwar, V.1 aRojatkar, Supada, R.1 aSonawane, Kiran, B.1 aRajamohanan, P., R.1 aBodhankar, Subhash, L. uhttps://library.ncl.res.in/content/isolation-characterization-and-antihyperlipidemic-activity-secoisolariciresinol-001917nas a2200229 4500008004100000022001400041245011600055210006900171260006700240300001200307490000800319520106400327653001801391653002801409653000801437100002201445700002501467700002301492700002801515700002501543856011901568 2014 eng d a0378-109700aIsolation of streptococcus tigurinus - a novel member of streptococcus mitis group from a case of periodontitis0 aIsolation of streptococcus tigurinus a novel member of streptoco a111 RIVER ST, HOBOKEN 07030-5774, NJ USAbWILEY-BLACKWELLcAUG a131-1350 v3573 a

Streptococcus tigurinus is a new member of the Streptococcus viridians group and is closely related to Streptococcus mitis, Streptococcus pneumoniae, Streptococcus pseudopneumoniae, Streptococcus oralis, and Streptococcus infantis. The type strain AZ_3a(T) of S. tigurinus was originally isolated from a patient with infective endocarditis. Accurate identification of S. tigurinus is facilitated only by newer molecular methods like 16S rRNA gene analysis. During the course of study on bacteraemia and infective endocarditis with reference to periodontitis and viridians group of streptococci, a strain of S. tigurinus isolated from subgingival plaque of a patient with periodontitis identified by 16S rRNA gene analysis, which was originally identified as Streptococcus pluranimalium by Vitek 2. Confirmation by 16S rRNA gene analysis showed 99.39% similarity (1476/1485 bp) with S. tigurinus AZ_3a(T) (AORU01000002). To the best of our knowledge, this is the first report of isolation of S. tigurinus from the oral cavity of a periodontitis patient.

10aperiodontitis10aStreptococcus tigurinus10aVGS1 aDhotre, Shree, V.1 aMehetre, Gajanan, T.1 aDharne, Mahesh, S.1 aSuryawanshi, Namdev, M.1 aNagoba, Basavraj, S. uhttps://library.ncl.res.in/content/isolation-streptococcus-tigurinus-novel-member-streptococcus-mitis-group-case-001604nas a2200145 4500008004100000245007400041210006900115260000800184490000600192520109200198100001701290700002401307700002101331856010601352 2015 eng d00aIdentification and computational analysis of gene regulatory elements0 aIdentification and computational analysis of gene regulatory ele cJAN0 v13 a

Over the last two decades, advances in experimental and computational technologies have greatly facilitated genomic research. Next-generation sequencing technologies have made de novo sequencing of large genomes affordable, and powerful computational approaches have enabled accurate annotations of genomic DNA sequences. Charting functional regions in genomes must account for not only the coding sequences, but also noncoding RNAs, repetitive elements, chromatin states, epigenetic modifications, and gene regulatory elements. A mix of comparative genomics, high-throughput biological experiments, and machine learning approaches has played a major role in this truly global effort. Here we describe some of these approaches and provide an account of our current understanding of the complex landscape of the human genome. We also present overviews of different publicly available, large-scale experimental data sets and computational tools, which we hope will prove beneficial for researchers working with large and complex genomes. © 2015 Cold Spring Harbor Laboratory Press.

1 aTaher, Leila1 aNarlikar, Leelavati1 aOvcharenko, Ivan uhttps://library.ncl.res.in/content/identification-and-computational-analysis-gene-regulatory-elements03135nas a2200157 4500008004100000245012300041210006900164260000800233490000600241520251900247100002002766700002202786700002302808700002102831856012502852 2015 eng d00aIdentification of Th1/Th2 regulatory switch to promote healing response during Leishmaniasis: a computational approach0 aIdentification of Th1Th2 regulatory switch to promote healing re cDEC0 v13 a

Leishmania devices its survival strategy by suppressing the host’s immune functions. The antigen molecules produced by Leishmania interferes with the host’s cell signaling cascades and consequently changes the protein expression pattern of the antigen-presenting cell (APC). This creates an environment suitable for the switching of the T-cell responses from a healing Th1 response to a non-healing Th2 response that is favorable for the continued survival of the parasite inside the host APC. Using a reconstructed signaling network of the intracellular and intercellular reactions between a Leishmania infected APC and T-cell, we propose a computational model to predict the inhibitory effect of the Leishmania infected APC on the T-cell and to identify the regulators of this Th1-/Th2-switching behavior as observed during Leishmania infection. In this work, we hypothesize that a complete removal of the parasite could only be achieved with a simultaneous up-regulation of the healing Th1 response and stimulation of nitric oxide (NO) production from the APCs, and downregulation of the non-healing Th2 response and thereby propose several unique combinations of protein molecules that could elicit this anti-Leishmania immune response. Our results indicate that TLR3 may play a positive role in eliciting NO synthesis, while TLR2 may be responsible for inhibiting an anti-Leishmania immune response. Also, TLR3 overexpression (in the APC), when combined with SHP2 inhibition (in the T cell), produces an anti-Leishmania response that is better than the conventional IFN-gamma or IL12 treatment. A similar anti-Leishmania response is also obtained in another combination where TLR3 (in APC) is overexpressed, and SHC and MKP (of T cell) are inhibited and activated, respectively. Through our study, we also observe that Leishmania infection may induce an upregulation of IFN-beta production from the APC that may lead to an upregulation of the RAP1 and SOCS3 proteins inside the T cell, the potential inhibitors of MAPK and JAK-STAT signaling pathways, respectively, via the TYK2-mediated pathway. This study not only enhances our knowledge in understanding the Th1/Th2 regulatory switch to promote healing response during leishmaniasis but also helps to identify novel combinations of proteins as potential immunomodulators. Electronic supplementary material The online version of this article (doi:10.1186/s13637-015-0032-7) contains supplementary material, which is available to authorized users.

1 aGanguli, Piyali1 aChoudhury, Saikat1 aChoudhury, Shomeek1 aSarkar, Ram, Rup uhttps://library.ncl.res.in/content/identification-th1th2-regulatory-switch-promote-healing-response-during-leishmaniasis01487nas a2200301 4500008004100000022001400041245009700055210006900152260007500221300001400296520043700310653001700747653001800764653001700782653000900799653001700808653002000825100002200845700001600867700003000883700002000913700002300933700002600956700002200982700002901004700002101033856013101054 2015 eng d a1434-193X00aIdentifying solid luminogens through gold-catalysed intramolecular hydroarylation of alkynes0 aIdentifying solid luminogens through goldcatalysed intramolecula aPOSTFACH 101161, 69451 WEINHEIM, GERMANYbWILEY-V C H VERLAG GMBHcAUG a4860-48673 a

The identification of a new class of luminogens based on pyrrolo-quinoxaline embedded coumarin (PQC) structures is reported. The reaction relies on the gold-catalyzed hydroarylation reaction of appropriately substituted aryl alkynoates that produces molecules that exhibit solvatochromism and aggregation-induced emission enhancement (AIEE) phenomena. The application of PQCs for live cell imaging has also been demonstrated.

10aCell imaging10aDyes/pigments10afluorescence10aGold10aLuminescence10aSolvatochromism1 aShaikh, Aslam, C.1 aShalini, S.1 aVaidhyanathan, Ramanathan1 aMane, Manoj, V.1 aBarui, Ayan, Kumar1 aPatra, Chitta, Ranjan1 aVenkatesh, Yeduru1 aBangal, Prakriti, Ranjan1 aPatil, Nitin, T. uhttps://library.ncl.res.in/content/identifying-solid-luminogens-through-gold-catalysed-intramolecular-hydroarylation-alkynes-001331nas a2200157 4500008004100000245006400041210006200105260000800167300001000175490000600185520082900191100001801020700001701038700002401055856009401079 2015 eng d00aImpedimetric humidity sensor based on ?-Fe2O3 nanoparticles0 aImpedimetric humidity sensor based on Fe2O3 nanoparticles cJAN a88-920 v13 a

Humidity sensing characteristics of thick-film sensors based on α-Fe2O3 nanoparticles synthesized by hydrothermal method have been reported. The as-synthesized α-Fe2O3 nanoparticles were characterized by using XRD, Raman spectroscopy, TEM and HRTEM. Our TEM result depicts that the size of α-Fe2O3 nanoparticles were in the range of 20–30 nm with highly crystalline nature. For humidity sensing experiment, the sensitivity of our α-Fe2O3 nanoparticles-based sensor device was found to be ∼99% and the fastest response times were noted, which indicate that the α-Fe2O3 nanoparticle-based humidity sensor device has more future prospects and demand. The humidity sensing properties of α-Fe2O3 nanoparticles seem to be associated to the sorption sites for the water molecules at the nanoparticles interfaces.

1 aPatil, U., V.1 aRout, C., S.1 aLate, Dattatray, J. uhttps://library.ncl.res.in/content/impedimetric-humidity-sensor-based-fe2o3-nanoparticles02036nas a2200193 4500008004100000022001400041245016500055210006900220260007900289300001100368490000700379520123500386100001801621700002001639700002201659700001801681700001601699856012701715 2015 eng d a2469-992600aImplementation of the Z-vector method in the relativistic-coupled-cluster framework to calculate first-order energy derivatives: Application to the SrF molecule0 aImplementation of the Zvector method in the relativisticcoupledc aONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USAbAMER PHYSICAL SOCcMAR a0305030 v913 a

The molecular dipole moment and magnetic hyperfine-structure constant demand an accurate wave function far from the nucleus and in the near nuclear region, respectively. We, therefore, employ the so-called Z-vector method in the domain of relativistic-coupled-cluster theory to calculate the first-order property of molecular systems in their open-shell ground-state configuration. The implemented method is applied to calculate the molecular dipole moment and parallel component of the magnetic hyperfine-structure constant of the SrF molecule. The results of our calculation are compared with the experimental and other available theoretically calculated values. We are successful in achieving good accordance with the experimental results. The result of our calculation of the molecular dipole moment is in the accuracy of similar to 0.5%, which is clearly an improvement over the previous calculation based on the expectation value method in the four-component coupled-cluster framework [V. S. Prasannaa et al., Phys. Rev. A 90, 052507 (2014)]. Thus, it can be inferred that the Z-vector method can provide an accurate wave function in both the near and far nuclear region, which is evident from our calculated results.

1 aSasmal, Sudip1 aPathak, Himadri1 aNayak, Malaya, K.1 aVaval, Nayana1 aPal, Sourav uhttps://library.ncl.res.in/content/implementation-z-vector-method-relativistic-coupled-cluster-framework-calculate-first-102479nas a2200241 4500008004100000022001400041245010300055210006900158260005700227300000800284490000700292520161300299653002101912653001501933653002201948653003301970653002002003100001902023700001802042700002702060700002202087856012802109 2015 eng d a1610-294000aIn silico ligand binding studies of cyanogenic beta-glucosidase, dhurrinase-2 from Sorghum bicolor0 aIn silico ligand binding studies of cyanogenic betaglucosidase d a233 SPRING ST, NEW YORK, NY 10013 USAbSPRINGERcJUL a1840 v213 a

Dhurrinase, a cyanogenic beta-glucosidase from Sorghum bicolor is the key enzyme responsible for the hydrolysis of dhurrin to produce toxic hydrogen cyanide, as a part of plant defence mechanism. Dhurrinase 1 (SbDhr1) and dhurrinase 2 (SbDhr2), two isozymes have been isolated and characterized from S. bicolor. However, there is no information in the literature about the three dimensional (3D) structure of SbDhr2 and molecular interactions involved between the protein and ligand. In this study, the three dimensional structure of SbDhr2 was built based on homology modeling by using the X-ray crystallographic structure of its close homologue SbDhr1 as the template. The generated 3D model was energy minimized and the quality was validated by Ramachndran plot, various bioinformatic tools and their relevant parameters. Stability, folding-unfolding and flexibility of the modeled SbDhr2 was evaluated on the basis of RMSD, radius of gyration (R-g) and RMSF values respectively, obtained through molecular dynamic (MD) simulation. Further, molecular docking was performed with its natural substrate dhurrin, one substrate analogue, three un-natural substrates, and one inhibitor. Analysis of molecular interactions in the SbDhr2-ligand complexes revealed the key amino acid residues responsible to stabilize the ligands within the binding pocket through non-bonded interactions and some of them were found to be conserved (Glu239, Tyr381, Trp426, Glu454, Trp511). Reasonably broader substrate specificity of SbDhr2 was explained through the wider entrance passage observed in comparison to SbDhr1.

10abeta-Glucosidase10aDhurrinase10aMolecular docking10aMolecular dynamic simulation10aSorghum bicolor1 aMahajan, Chavi1 aPatel, Krunal1 aKhan, Bashir, Mohammad1 aRawal, Shuban, S. uhttps://library.ncl.res.in/content/silico-ligand-binding-studies-cyanogenic-beta-glucosidase-dhurrinase-2-sorghum-bicolor-100390nas a2200133 4500008004100000022001400041245004200055210004100097260000800138300000800146490000800154100002200162856007200184 2015 eng d a0011-389100aIndovation' for affordable excellence0 aIndovation for affordable excellence cJAN a7-80 v1081 aMashelkar, R., A. uhttps://library.ncl.res.in/content/indovation-affordable-excellence02350nas a2200181 4500008004100000245013400041210006900175260000800244300001200252490000600264520164200270100002201912700003001934700001901964700002501983700003302008856012702041 2015 eng d00aInfluence of carbon and nitrogen source on growth, DON and NIV production by two species of fusarium isolated from finger millets0 aInfluence of carbon and nitrogen source on growth DON and NIV pr cMAR a136-1390 v73 a

Objective: Influence of different carbon [C] and nitrogen [N] source on the growth and Deoxynivalenol [DON] and Nivalenol [NIV] production by Fusarium aethiopicum and Fusarium culmorum was investigated. Methods: Seven days old monosporic cultures of F. aethiopicum strain GSKUMB [KJ21085] and F. culmorum strain GSKUMB [KJ190159] were grown in CYA broth and incubated at 27±2°C on the rotary shaker at 120 rpm for 21 days. At the end of incubation period, cultures were harvested for determination of fungal growth (biomass). The resultant culture filtrates were extracted twice with ethyl acetate and concentrated. One ml of final concentrate in methanol was employed for detection of DON and NIV with the help of RP-HPLC. Results: The highest amount of DON and NIV were produced by F. aethiopicum in the presence of D-mannose and D-galactose as C source, while the highest amount of biomass was recorded on maltose and succinic acid. F. culmorum produced maximum amount of toxins in the presence of D-glucose, D-mannitol and D-fructose. Sodium nitrate was most favorable nitrogen source as it induced maximum amount of toxins by F. aethiopicum, while L-methionine, L-asparatic acid and L-tryptophan were next preferred N source. In contrast, highest biomass of fungus was obtained with L-lysine, L-glutamine and L-tyrosine. F. culmorum produced maximum amount of toxin and biomass with potassium nitrate and L-tyrosine respectively. Conclusion: Present species of Fusarium differed varied both in toxins (DON, and NIV) and biomass production. Their response of fungi under investigation towards C and N sources is also varied.

1 aPenugonda, Shilpa1 aRao, Vankudoth, Koteswara1 aRao, Narasimha1 aSivadevuni, Girisham1 aReddy, Solipuram, Madhusudha uhttps://library.ncl.res.in/content/influence-carbon-and-nitrogen-source-growth-don-and-niv-production-two-species-fusarium02398nas a2200289 4500008004100000022001400041245012800055210006900183260005700252300001400309490000800323520138000331653002001711653001601731653001801747653001801765653001101783653001501794100003201809700002501841700002901866700001701895700002801912700002001940700003001960856011801990 2015 eng d a1438-237700aInfluence of cultivar, ripeness, blanching, drying, irradiation, and pectin recovery on alk(en)ylresorcinols in mango peels0 aInfluence of cultivar ripeness blanching drying irradiation and  a233 SPRING ST, NEW YORK, NY 10013 USAbSPRINGERcJUN a1235-12450 v2403 a

The influence of different technological treatments on alk(en)ylresorcinol (AR) contents and pattern in mango peels was evaluated using peels from six different mango cultivars. AR concentrations were shown to highly depend on the cultivar. While high AR concentrations were observed in the analyzed monoembryonic cultivars, AR contents in the polyembryonic cultivar Nam Dokmai were significantly lower. Furthermore, for monoembryonic cultivars, AR levels in the peels of ripe fruits were found to be higher than in unripe ones, while AR levels in cv. Nam Dokmai were independent of the ripeness degree. Convective oven drying resulted in a significant reduction in AR contents when compared to lyophilization. Blanching prior to drying diminished AR yields, thus being unsuitable for satisfactory AR recovery. Gamma irradiation did not significantly affect the AR contents. Since depectinization of mango peels significantly concentrated AR amounts in the depectinized pomace, the consecutive extraction of pectin and ARs allows the dual valorization of mango peels. Considering the treatments investigated, the retention of ARs carrying saturated and unsaturated side chains did not differ under acidic conditions, heating, and irradiation, respectively. Consequently, the 1,3-dihydroxybenzene structure was concluded to be the most labile moiety of the AR molecule.

10aAlkylresorcinol10aBy-products10aMonoembryonic10aPolyembryonic10aPomace10aUltrasound1 aGeerkens, Christian, Hubert1 aMiller-Rostek, Petra1 aMatejka, Anna, Elisabeth1 aNene, Sanjay1 aKammerer, Dietmar, Rolf1 aCarle, Reinhold1 aSchweiggert, Ralf, Martin uhttps://library.ncl.res.in/content/influence-cultivar-ripeness-blanching-drying-irradiation-and-pectin-recovery-002252nas a2200169 4500008004100000245012500041210006900166260000800235300001000243490000700253520158400260100002201844700003001866700002501896700003301921856012801954 2015 eng d00aInfluence of different fusarium species on seed germination and seedlings growth of finger millet (Eleusine coracana L.)0 aInfluence of different fusarium species on seed germination and  cMAR a81-890 v113 a

Effect of agriculturally important Fusariumspecies on the seed germination and seedling growth of finger millet (Eleusine coracana L.) was investigated. Species of Fusarium caused significant seed germination inhibition and seedling growth which varied with the species and age of the culture. Culture filtrates of F. moniliforme, F. proliferatum, F. chlamydosporum, F. aethiopicum, F. heterosporum and F. sporotrichoides were comparatively more toxic. The correlation coefficients between polished and unpolished variety of fingermillet seed germination inhibition (0.574, P=0.005), shoot elongation inhibition (0.893, P=0.0000) and root elongation inhibition (0.175, P=0.1770) with culture filtrates of different species of Fusarium was recorded. Pathogenicity studies revealed that F. roseum, F.sporotrichoides, F. proliferatum and F.oxysporum caused seedrot and seedling death. The maximumroot elongation inhibition (52.20%), mean (36.39%) andminimum(14.73%)were recorded toward the toxicity of different species of Fusarium. Significant and positive correlation (0.802, P=0.0026) between the root and shoot, (0.393, P=0.130) between shoot and leaf, (0.121, P=0.369) between root and leaf elongation inhibition of finger millet could be observed. The culture filtrates ofmajormycotoxigenic strains of Fusariumrevealed production of Zearalenone (ZEA), T2 toxin, nivalenol (NIV), Deoxynivalenol (DON) and Deoxyscripenol (DAS). Toxicity of Fusarium species to its seed germination and seedling growth may be attributed to their secondary metabolites including mycotoxins.

1 aPenugonda, Shilpa1 aRao, Vankudoth, Koteswara1 aSivadevuni, Girisham1 aReddy, Solipuram, Madhusudha uhttps://library.ncl.res.in/content/influence-different-fusarium-species-seed-germination-and-seedlings-growth-finger-millet01845nas a2200229 4500008004100000022001400041245011200055210006900167260007700236300001200313490000600325520102600331653001501357653001301372653001501385653001301400653002401413100001901437700001901456700001901475856012101494 2015 eng d a2194-428800aInfluence of low-dosage hydrate inhibitors on methane clathrate hydrate formation and dissociation kinetics0 aInfluence of lowdosage hydrate inhibitors on methane clathrate h aBOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANYbWILEY-V C H VERLAG GMBHcJUL a717-7250 v33 a

This work investigates the effect of low-dosage hydrate inhibitors (LDHIs) on methane hydrate formation and dissociation. The hydrate inhibitors used in this study were the sodium salt of polyacrylic acid, a polysaccharide chitosan, and the linear sulfated polysaccharide i-carrageenan; the inhibiting behavior of these additives were compared with that of the commonly used hydrate inhibitor polyvinylpyrrolidone for methane hydrate formation. A LDHI concentration of 1wt% was found to increase the induction time relative to that at a LDHI concentration of 0.1wt%. Chitosan was found to be better than the others in reducing nucleation and the growth rate of the hydrate at a concentration of 1wt%. At a lower concentration of 0.1wt%, nucleation inhibition was minimal, however, growth inhibition was significant. The effect of these inhibitors on the decomposition rate of the hydrate was also studied, and the decomposition kinetics at a constant driving force in excess of three-phase equilibrium is reported.

10agas uptake10ahydrates10ainhibitors10akinetics10athermal stimulation1 aKumar, Asheesh1 aSakpal, Tushar1 aKumar, Rajnish uhttps://library.ncl.res.in/content/influence-low-dosage-hydrate-inhibitors-methane-clathrate-hydrate-formation-and-002175nas a2200193 4500008004100000245009800041210006900139260011800208300002700326490000900353520137500362100002701737700001801764700002201782700001801804700001801822700001701840856012401857 2015 eng d00aInfluence of macromolecular architecture on necking in polymer extrusion film casting process0 aInfluence of macromolecular architecture on necking in polymer e aCleveland, OHbAmerican Institute of Physics, 2 Huntington Quadrangle, STE 1No1, Melville, NY 11747-4501 USAcJUN aArticle Number: 0800060 v16643 a

Extrusion film casting (EFC) is an important polymer processing technique that is used to produce several thousand tons of polymer films/coatings on an industrial scale. In this research, we are interested in understanding quantitatively how macromolecular chain architecture (for example long chain branching (LCB) or molecular weight distribution (MWD or PDI)) influences the necking and thickness distribution of extrusion cast films. We have used different polymer resins of linear and branched molecular architecture to produce extrusion cast films under controlled experimental conditions. The necking profiles of the films were imaged and the velocity profiles during EFC were monitored using particle tracking velocimetry (PTV) technique. Additionally, the temperature profiles were captured using an IR thermography and thickness profiles were calculated. The experimental results are compared with predictions of one-dimensional flow model of Silagy et al(1) wherein the polymer resin rheology is modeled using molecular constitutive equations such as the Rolie-Poly (RP) and extended Pom Pom (XPP). We demonstrate that the 1-D flow model containing the molecular constitutive equations provides new insights into the role of macromolecular chain architecture on film necking. D-1. Silagy, Y. Demay, and J-F. Agassant, Polym. Eng. Sci., 36, 2614 (1996).

1 aPol, Harshawardhan, V.1 aBanik, Sourya1 aAzad, Lal, Busher1 aThete, Sumeet1 aDoshi, Pankaj1 aLele, Ashish uhttps://library.ncl.res.in/content/influence-macromolecular-architecture-necking-polymer-extrusion-film-casting-process02578nas a2200217 4500008004100000022001400041245020200055210006900257260006900326300001000395490000800405520168600413653001902099653001502118653001802133653001302151653002402164653002302188100002902211856012002240 2015 eng d a1010-603000aInhibition effect of N,N-diglycidyl-4-glycidyloxy aniline on photosensitized cationic polymerization of formulations involving resorcinol diglycidyl ether and poly(propylene glycol)diglycidyl ether0 aInhibition effect of NNdiglycidyl4glycidyloxy aniline on photose aPO BOX 564, 1001 LAUSANNE, SWITZERLANDbELSEVIER SCIENCE SAcAPR a17-270 v3033 a

Cationic photopolymerization studies of poly(propylene glycol)diglycidyl ether with and without 25 wt% of resorcinol diglycidyl ether were carried out in presence of bis(4-methylphenyl)iodonium hexafluorophosphate as photoinitiator. Analyses were carried out using polychromatic radiation at different temperatures in a photo differential scanning calorimeter. The formulations showed an enhancement in the rate of polymerization on addition of resorcinol diglycidyl ether. The same formulations when subjected to photosensitized polymerization in presence of 1-chloro-4-propoxy-9H-thioxanthen-9-one, showed a reverse behavior in rate due to partial absorption of radiation by resorcinol diglycidyl ether. Studies carried out on by the addition of N,N-diglycidy1-4-glycidyloxy aniline as inhibitor on the photosensitized formulations showed higher scavenging activity by inhibitor. The addition of nitrogen containing epoxy monomer as inhibitor can lead to its possible crosslinking within the matrix on polymerization along with a decrease in rate of polymerization without compromising on the final observed conversion. This effect can occur readily for non vitrifying systems. Thus, this observation provides an insight into its possible usage in a rate controlled photopolymerizable epoxy formulations. The photopolymerization kinetics were found to depend on the nature of generation, propagation and scavenging of active centers which are heavily dependent on diffusional restrictions imparted by in situ viscosity of the system. The kinetic estimations as well as evaluation of autocatalytic kinetic model are investigated. (C) 2015 Elsevier B.V. All rights reserved.

10aGlycidyl ether10aInhibition10akinetic model10akinetics10aPhotopolymerization10aPhotosensitization1 aHarikrishna, Reghunathan uhttps://library.ncl.res.in/content/inhibition-effect-nn-diglycidyl-4-glycidyloxy-aniline-photosensitized-cationic-001918nas a2200157 4500008004100000245010100041210006900142260000800211300000800219490000700227520131300234100003001547700002501577700003301602856012501635 2015 eng d00aInhibitory effect of essential oils on growth and ochratoxin a production by penicillium species0 aInhibitory effect of essential oils on growth and ochratoxin a p cJUN a1-80 v103 a

The screening of essential oil of brassica (Brassica oleracea), castor (Ricinus communis), coconut (Cocos nucifera), eucalyptus (Eucalyptus globulus), groundnut (Arachis hypogaea), neem (Azadirachta indica), palmolive (Elaeis guineensis) and sunflower (Helianthus annuus) for their efficacy against growth and OTA production by P. verrucosum and P. nordicum was performed. Neem and eucalyptus oil were most effective inhibitors of biomass and OTA production by both the species of Penicillium under investigation. P. nordicum was totally inhibited at 15 µL mLG1 concentration of neem and eucalyptus oil, while P. verrucosum was inhibited only to the extent of 77.52-92.49%. Sunflower and palmolive oils were next in their toxicity against the growth and OTA production by both the species of Penicillium under investigation. Essential oil of brassica, castor, coconut and groundnut varied in their degree of inhibition against P. verrucosum and P. nordicum. A positive correlation coefficient (R) was observed between the inhibitory effect of essential oils on growth (0.8933) and OTA production (0.9242). In conclusion, neem and eucalyptus oils proved to be potential bio-control agents and help to prevent the infestation of stored foods and feeds by 2 species of Penicillium and elaboration of OTA

1 aRao, Vankudoth, Koteswara1 aSivadevuni, Girisham1 aReddy, Solipuram, Madhusudha uhttps://library.ncl.res.in/content/inhibitory-effect-essential-oils-growth-and-ochratoxin-production-penicillium-species02108nas a2200241 4500008004100000022001400041245007600055210006900131260008100200300001200281490000700293520126000300653002801560653002601588653002401614653001401638653001401652100001701666700002201683700002401705700002501729856011201754 2015 eng d a0959-665800aInsect trehalase: physiological significance and potential applications0 aInsect trehalase physiological significance and potential applic aJOURNALS DEPT, 2001 EVANS RD, CARY, NC 27513 USAbOXFORD UNIV PRESS INCcAPR a357-3670 v253 a

Trehalose, a non-reducing disaccharide, is widespread throughout the biological world. It is the major blood sugar in insects playing a crucial role as an instant source of energy and in dealing with abiotic stresses. The hydrolysis of trehalose is under the enzymatic control of trehalase. The enzyme trehalase is gaining interest in insect physiology as it regulates energy metabolism and glucose generation via trehalose catabolism. The two forms of insect trehalase namely, Tre-1 and Tre-2, are important in energy supply, growth, metamorphosis, stress recovery, chitin synthesis and insect flight. Insect trehalase has not been reviewed in depth and the information available is quite scattered. The present mini review discusses our recent understanding of the regulation, mechanism and biochemical characterization of insect trehalase with respect to its physiological role in vital life functions. We also highlight the molecular and biochemical properties of insect trehalase that makes it amenable to competitive inhibition by most glycosidase inhibitors. Due to its crucial role in carbon metabolism in insects, application of inhibitors against trehalose can form a promising area towards formulating strategies for insect pest control.

10acarbohydrate metabolism10aglycosidase inhibitor10aglycoside hydrolase10atrehalase10atrehalose1 aShukla, Ekta1 aThorat, Leena, J.1 aNath, Bimalendu, B.1 aGaikwad, Sushama, M. uhttps://library.ncl.res.in/content/insect-trehalase-physiological-significance-and-potential-applications-001755nas a2200193 4500008004100000022001400041245008200055210006900137260007100206300001200277490000600289520103400295100002501329700002401354700002401378700002401402700002401426856011101450 2015 eng d a2161-165300aInsertion copolymerization of difunctional polar vinyl monomers with ethylene0 aInsertion copolymerization of difunctional polar vinyl monomers  a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcSEP a933-9370 v43 a

A single-step synthesis, structural characterization and application of a neutral, acetonitrile ligated, palladium-phosphinesulfonate complex [{P<\^>O}PdMe(L)] (P<\^>O = K-2-P,O Ar2PC6H4SO2O with Ar = 2-MeOC6H4; L = CH3CN) (3) in coordination/insertion copolymerization of ethylene with difunctional olefin is investigated. In a significant development, complex 3 was found to catalyze insertion copolymerization of industrially relevant 1,1-disubstituted difunctional vinyl monomers for the first time. Thus, insertion copolymerization of ethyl-2-cyanoacrylate (ECA or super glue) and trifluoromethyl acrylic acid (TFMAA) with ethylene produced the corresponding copolymers with 6.5% ECA and 3% TFMAA incorporation. Increasing the concentration of difunctional olefins led to higher incorporation but at the expense of lower activities. These observations indicate that complex 3 tolerates difunctional vinyl monomers and provides direct access to difunctional polyolefins that have not been attempted before.

1 aGaikwad, Shahaji, R.1 aDeshmukh, Satej, S.1 aGonnade, Rajesh, G.1 aRajamohanan, P., R.1 aChikkali, Samir, H. uhttps://library.ncl.res.in/content/insertion-copolymerization-difunctional-polar-vinyl-monomers-ethylene-101697nas a2200205 4500008004100000022001400041245010300055210006900158260007100227300001600298490000800314520090100322100002901223700002401252700001501276700002401291700002101315700003201336856012301368 2015 eng d a1520-610600aInsights into the molecular dynamics in polysulfone polymers from C-13 solid-state NMR experiments0 aInsights into the molecular dynamics in polysulfone polymers fro a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcAUG a11287-112940 v1193 a

The molecular and segmental motions in three different grades of ductile polysulfone polymers; poly(ether sulfone) (PESU), polysulfone (PSU), and poly(phenyl sulfone) (PPSU) are probed using C-13 solid-state NMR experiments. Polarization inversion spin exchange at magic angle (PISEMA) experiments indicates that the phenyl rings in the polymers are undergoing pi-flip motions on the order of 100 kHz. The temperature dependent PISEMA experiments show that the fraction of mobile regions that undergoes aromatic pi-flips is higher in PPSU than in the other two polymers. The center band only detection of exchange (CODEX) experiments was carried out and was unable to detect any slow segmental motions in the chains. A combination of C-13 spin-lattice relaxation time (T-1) and T-1-filtered PISEMA experiments show that the mobile regions in all the polymers are dynamically heterogeneous.

1 aEldho, Kavalakal, Mathai1 aRajamohanan, P., R.1 aAnto, Ralf1 aBulakh, Neelima, N.1 aLele, Ashish, K.1 aAjithkumar, Thalasseril, G. uhttps://library.ncl.res.in/content/insights-molecular-dynamics-polysulfone-polymers-c-13-solid-state-nmr-experiments-003037nas a2200241 4500008004100000022001400041245015800055210006900213260005700282300001300339490000700352520210200359653002802461653003502489653001302524653003002537653002002567100001702587700001802604700002402622700002602646856012302672 2015 eng d a1610-294000aInsights into the unfolding pathway and identification of thermally sensitive regions of phytase from aspergillus niger by molecular dynamics simulations0 aInsights into the unfolding pathway and identification of therma a233 SPRING ST, NEW YORK, NY 10013 USAbSPRINGERcJUN aUNSP 1630 v213 a

Thermal stability is of great importance in the application of commercial phytases. Phytase A (PhyA) is a monomeric protein comprising twelve alpha-helices and ten beta-sheets. Comparative molecular dynamics (MD) simulations (at 310, 350, 400, and 500 K) revealed that the thermal stability of PhyA from Aspergillus niger (A. niger) is associated with its conformational rigidity. The most thermally sensitive regions were identified as loops 8 (residues 83-106), 10 (161174), 14 (224-230), 17 (306-331), and 24 (442-444), which are present on the surface of the protein. It was observed that solvent-exposed loops denature before or show higher flexibility than buried residues. We observed that PhyA begins to unfold at loops 8 and 14, which further extends to loop 24 at the C-terminus. The intense movement of loop 8 causes the helix H2 and beta-sheet B3 to fluctuate at high temperature. The high flexibility of the H2, H10, and H12 helices at high temperature resulted in complete denaturation. The high mobility of loop 14 easily transfers to the adjacent helices H7, H8, and H9, which fluctuate and partially unfold at high temperature (500 K). It was also observed that the salt bridges Asp110-Lys149, Asp205-Lys277, Asp335-Arg136, Asp416-Arg420, and Glu387-Arg400 are important influences on the structural stability but not the thermostability, as the lengths of these salt bridges did not increase with rising temperature. The salt bridges Glu125-Arg163, Asp299-Arg136, Asp266-Arg219, Asp339-Lys278, Asp335-Arg136, and Asp424-Arg428 are all important for thermostability, as the lengths of these bridges increased dramatically with increasing temperature. Here, for the first time, we have computationally identified the thermolabile regions of PhyA, and this information could be used to engineer novel thermostable phytases. Numerous homologous phytases of fungal as well as bacterial origin are known, and these homologs show high sequence similarity. Our findings could prove useful in attempts to increase the thermostability of homologous phytases via protein engineering.

10aConformational dynamics10aMolecular dynamics simulations10aPhytaseA10aStructurally weak regions10aThermostability1 aKumar, Kapil1 aPatel, Krunal1 aAgrawal, Dinesh, C.1 aKhire, Jayant, Malhar uhttps://library.ncl.res.in/content/insights-unfolding-pathway-and-identification-thermally-sensitive-regions-phytase-101602nas a2200241 4500008004100000022001400041245015300055210006900208260007500277300001200352490000700364520070200371653002301073653001801096653002201114653002001136653000901156653001401165100001601179700001901195700001601214856013001230 2015 eng d a0095-978200aInteresting viscosity changes in the aqueous urea-ionic liquid system: effect of alkyl chain length attached to the cationic ring of an ionic liquid0 aInteresting viscosity changes in the aqueous ureaionic liquid sy a233 SPRING ST, NEW YORK, NY 10013 USAbSPRINGER/PLENUM PUBLISHERScAPR a742-7530 v443 a

In the present article, we demonstrate the effect of urea on the structure of the ionic liquids in their aqueous solutions through viscometric methods. We unravel the structure altering effect of urea in its aqueous solutions of ionic liquids possessing higher alkyl chains. The finding is an attempt to discern the anomalous behavior of urea as shown in the past with the help of many techniques. Interestingly, in the aqueous solutions of the imidazolium based ionic liquids having substitution of -C4H9 and -C6H13 groups on the imidazolium ring, urea exhibits kosmotropic behavior. Further increase in the substituted alkyl group such as -C8H17 alters the urea behavior to be chaotropic.

10aAlkyl chain length10aionic liquids10aStructure-breaker10aStructure-maker10aUrea10aviscosity1 aNanda, Raju1 aRai, Gitanjali1 aKumar, Anil uhttps://library.ncl.res.in/content/interesting-viscosity-changes-aqueous-urea-ionic-liquid-system-effect-alkyl-chain-length-003148nas a2200217 4500008004100000022001400041245013200055210006900187260006700256300001400323490000800337520227200345653002402617653003202641653005102673100001902724700001802743700002002761700002102781856012802802 2015 eng d a0006-359200aInterlinked population balance and cybernetic models for the simultaneous saccharification and fermentation of natural polymers0 aInterlinked population balance and cybernetic models for the sim a111 RIVER ST, HOBOKEN 07030-5774, NJ USAbWILEY-BLACKWELLcOCT a2084-21050 v1123 a

Simultaneous Saccharification and Fermentation (SSF) is a process where microbes have to first excrete extracellular enzymes to break polymeric substrates such as starch or cellulose into edible nutrients, followed by in situ conversion of those nutrients into more valuable metabolites via fermentation. As such, SSF is very attractive as a one-pot synthesis method of biological products. However, due to the co-existence of multiple biochemical steps, modeling SSF faces two major challenges. The first is to capture the successive chain-end and/or random scission of the polymeric substrates over time, which determines the rate of generation of various fermentable substrates. The second is to incorporate the response of microbes, including their preferential substrate utilization, to such a complex broth. Each of the above-mentioned challenges has manifested itself in many related areas, and has been competently but separately attacked with two diametrically different tools, i.e., the Population Balance Modeling (PBM) and the Cybernetic Modeling (CM), respectively. To date, they have yet to be applied in unison on SSF resulting in a general inadequacy or haphazard approaches to examine the dynamics and interactions of depolymerization and fermentation. To overcome this unsatisfactory state of affairs, here, the general linkage between PBM and CM is established to model SSF. A notable feature is the flexible linkage, which allows the individual PBM and CM models to be independently modified to the desired levels of detail. A more general treatment of the secretion of extracellular enzyme is also proposed in the CM model. Through a case study on the growth of a recombinant Saccharomyces cerevisiae capable of excreting a chain-end scission enzyme (glucoamylase) on starch, the interlinked model calibrated using data from the literature (Nakamura et al., Biotechnol. Bioeng. 53:21-25, 1997), captured features not attainable by existing approaches. In particular, the effect of various enzymatic actions on the temporal evolution of the polymer distribution and how the microbes respond to the diverse polymeric environment can be studied through this framework. Biotechnol. Bioeng. 2015;112: 2084-2105. (c) 2015 Wiley Periodicals, Inc.

10acybernetic modeling10apopulation balance modeling10asimultaneous saccharification and fermentation1 aHo, Yong, Kuen1 aDoshi, Pankaj1 aYeoh, Hak, Koon1 aNgoh, Gek, Cheng uhttps://library.ncl.res.in/content/interlinked-population-balance-and-cybernetic-models-simultaneous-saccharification-and-001936nas a2200241 4500008004100000022001400041245017900055210006900234260007500303300001600378490000700394520095700401653002401358653001401382653001401396653003001410653002601440100002301466700002701489700002401516700002701540856012701567 2015 eng d a0947-653900aIntramolecular cyclization of carbonate and thiocarbonate derivatives of myo-inositol in the solid state: implications for acyl group transfer reactions in molecular crystals0 aIntramolecular cyclization of carbonate and thiocarbonate deriva aPOSTFACH 101161, 69451 WEINHEIM, GERMANYbWILEY-V C H VERLAG GMBHcSEP a13676-136820 v213 a

Racemic 4-O-phenoxycarbonyl and 4-O-phenoxythiocarbonyl derivatives of myo-inositol orthoformate undergo thermal intramolecular cyclization in the solid state to yield the corresponding 4,6-bridged carbonates and thiocarbonates, respectively. The thermal cyclization also occurs in the solution and molten states, but less efficiently, suggesting that these cyclization reactions are aided by molecular pre-organization, although not strictly topochemically controlled. Crystal structures of two carbonates and a thiocarbonate clearly revealed that the relative orientation of the electrophile and the nucleophile in the crystal lattice facilitates the intramolecular cyclization reaction and forbids the intermolecular reaction. The correlation observed between the chemical reactivity and the non-covalent interactions in the crystal of the reactants provides a way to estimate the chemical stability of analogous molecules in the solid state.

10acrystal engineering10acyclitols10ainositols10anucleophilic substitution10asolid-phase synthesis1 aTamboli, Majid, I.1 aShashidhar, Mysore, S.1 aGonnade, Rajesh, G.1 aKrishnaswamy, Shobhana uhttps://library.ncl.res.in/content/intramolecular-cyclization-carbonate-and-thiocarbonate-derivatives-myo-inositol-solid-002692nas a2200193 4500008004100000022001400041245011800055210006900173260011000242300001600352490000600368520188100374100002202255700001802277700002402295700001902319700002802338856013202366 2015 eng d a2046-206900aIntrinsic therapeutic and biocatalytic roles of ionic liquid mediated self-assembled platinum-phytase nanospheres0 aIntrinsic therapeutic and biocatalytic roles of ionic liquid med aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcJUL a62871-628810 v53 a

We herein report the inherent antitumor efficiency of self-assembled phytase enzyme nanospheres and enhance their efficiency by decorating with platinum nanoparticles and with the anticancer drug curcumin. Firstly, controlled self-assembly of phytase enzyme in an Ionic Liquid 1-butyl-3-methylimidazolium tetrafluoroborate [Bmim][BF4], led to the formation of therapeutically active phytase nanospheres. These nanospheres were further decorated with platinum nanoparticles by adding the platinum ions to these spheres and the nanoparticles formation was mediated by the specific interaction between the histidine residue (in active site of phytase enzymes) and the platinum ions and subsequent reduction of the ions into nanoparticles. The enzyme spheres act as a functional soft template for the as-formed platinum nanoparticles. These Platinum decorated hybrid biomacromolecular phytase nanospheres were loaded with the anticancer drug curcumin and all the different kinds of nanospheres were subjected to in vitro cytotoxicity for their anticancer effect on three different kinds of cancer cell lines i.e. MCF-7, Hep-G2 and THP-1 derived human macrophages. We observed a gradual increase in the anticancer effect caused by only phytase nanospheres (25%), platinum-phytase nanospheres (37%), phytase-curcumin (78%) and platinum-phytase-curcumin nanospheres (90%) that establishes this protein based system as a robust combinatorial drug delivery vehicle. The platinum-phytase spheres also proved their usability as a highly efficient green and reusable biocatalytic system for phytate degradation. The present work facilitates our understanding of ionic liquid based synthesis for multifunctional protein based drug delivery vehicles incorporating combinatorial chemotherapy for potential application as biopharmaceutical agents for tumor treatment and bio-catalysis.

1 aSoni, Sarvesh, K.1 aSarkar, Sampa1 aSelvakannan, P., R.1 aSarkar, Dhiman1 aBhargava, Suresh, Kumar uhttps://library.ncl.res.in/content/intrinsic-therapeutic-and-biocatalytic-roles-ionic-liquid-mediated-self-assembled-platinum-001713nas a2200205 4500008004100000022001400041245006000055210006000115260011000175300001600285490000600301520095000307100002401257700002901281700002301310700002101333700003701354700002501391856009101416 2015 eng d a2046-206900aInvestigation of antiglycation activity of isoprenaline0 aInvestigation of antiglycation activity of isoprenaline aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcMAR a25051-250580 v53 a

Advanced glycation end products (AGEs) are implicated in pathogenesis of diabetes and its complications. In this study, we report the ability of isoprenaline to inhibit the AGE modification of protein by fluorescence spectroscopy and western blotting. Isoprenaline was more effective in inhibiting AGE modification than aminoguanidine, a well known glycation inhibitor. Further, we show that isoprenaline inhibits at Amadori product formation during glycation reaction by various techniques such as MALDI-TOF-MS, LC-MS/MS, and fructosamine assay. Mass spectrometric analysis of the glycation reaction mixture incubated with isoprenaline suggested that it forms adducts with glucose and thus inhibits glycation. The finding of the additional property of isoprenaline of inhibiting glycation suggests that it is a potential candidate for drug repositioning for the treatment of diabetes and its complications, as it is an FDA approved drug.

1 aKolekar, Yogesh, M.1 aVannuruswamy, Garikapati1 aBansode, Sneha, B.1 aSanthakumari, B.1 aThulasiram, Hirekodathakallu, V.1 aKulkarni, Mahesh, J. uhttps://library.ncl.res.in/content/investigation-antiglycation-activity-isoprenaline-002643nas a2200301 4500008004100000022001400041245005500055210005500110260006700165300001200232490000700244520171800251653001701969653001201986653001401998653001102012653002002023653000902043100002502052700002302077700002102100700002402121700002102145700003602166700002802202700002502230856008602255 2015 eng d a1615-985300aInvestigation of phosphoproteome in RAGE signaling0 aInvestigation of phosphoproteome in RAGE signaling a111 RIVER ST, HOBOKEN 07030-5774, NJ USAbWILEY-BLACKWELLcJAN a245-2590 v153 a

The receptor for advanced glycation end products (RAGE) is one of the most important proteins implicated in diabetes, cardiovascular diseases, neurodegenerative diseases, and cancer. It is a pattern recognition receptor by virtue of its ability to interact with multiple ligands, RAGE activates several signal transduction pathways through involvement of various kinases that phosphorylate their respective substrates. Only few substrates have been known to be phosphorylated in response to activation by RAGE (e.g., nuclear factor kappa B); however, it is possible that these kinases can phosphorylate multiple substrates depending upon their expression and localization, leading to altered cellular responses in different cell types and conditions. One such example is, glycogen synthase kinase 3 beta which is known to phosphorylate glycogen synthase, acts downstream to RAGE, and hyperphosphorylates microtubule-associated protein tau causing neuronal damage. Thus, it is important to understand the role of various RAGE-activated kinases and their substrates. Therefore, we have reviewed here the details of RAGE-activated kinases in response to different ligands and their respective phosphoproteome. Furthermore, we discuss the analysis of the data mined for known substrates of these kinases from the PhosphoSitePlus (http://www.phosphosite.org) database, and the role of some of the important substrates involved in cancer, diabetes, cardiovascular diseases, and neurodegenerative diseases. In summary, this review provides information on RAGE-activated kinases and their phosphoproteome, which will be helpful in understanding the possible role of RAGE and its ligands in progression of diseases.

10aCell biology10aDisease10aGlycation10aKinase10aPhosphoproteome10aRAGE1 aBatkulwar, Kedar, B.1 aBansode, Sneha, B.1 aPatil, Gouri, V.1 aGodbole, Rashmi, K.1 aKazi, Rubina, S.1 aChinnathambi, Subashchandrabose1 aShanmugam, Dhanasekaran1 aKulkarni, Mahesh, J. uhttps://library.ncl.res.in/content/investigation-phosphoproteome-rage-signaling-001721nas a2200229 4500008004100000022001400041245012800055210006900183260010600252300001400358490000700372520081700379653002101196653002501217653000801242653002801250653001601278100001901294700002201313700002601335856013001361 2015 eng d a0040-402000aInvestigation of the effect of amino acid chirality in the internucleoside linker on DNA:DNA and DNA : RNA duplex stability0 aInvestigation of the effect of amino acid chirality in the inter aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcAPR a2442-24490 v713 a

Enzymatically and chemically stable amide-linked di/oligonucleosides are highly desired synthetic targets in which the phosphodiester linkages in native DNA are replaced by amide linkers of appropriate length and stereochemistry. The five-atom amide-linked dimers, synthesized from 3'-amino-3'-deoxy thymidine, (alpha-(L/D) proline/prochiral glycine and thymidine/uridine-4'carboxylic acid derivatives, were incorporated into the DNA backbone to achieve partial replacement of selected phosphodiester linkages. The results stressed the importance of the chirality of linker amino acid. D-Proline was found to be the most compatible as an internucleoside linker in the DNA backbone to stabilize the complexes with DNA or RNA as compared to L-proline and glycine. (C) 2015 Elsevier Ltd. All rights reserved.

10aalpha-Amino acid10aChiral amide linkage10aDNA10aFive-atom amide linkage10aL/D-Proline1 aBagmare, Seema1 aGunjal, Anita, D.1 aKumar, Vaijayanti, A. uhttps://library.ncl.res.in/content/investigation-effect-amino-acid-chirality-internucleoside-linker-dnadna-and-dna-rna-duplex02117nas a2200217 4500008004100000022001400041245008500055210006900140260006700209300001200276490000700288520132500295653001701620653002101637653003801658100002501696700002401721700001801745700001701763856011901780 2015 eng d a0887-624X00aIonic conductivity probed in main chain liquid crystalline azobenzene polyesters0 aIonic conductivity probed in main chain liquid crystalline azobe a111 RIVER ST, HOBOKEN 07030-5774, NJ USAbWILEY-BLACKWELLcMAR a629-6410 v533 a

Three main chain thermotropic liquid crystalline (LC) azobenzene polymers were synthesized using the azobenzene twin molecule (P4P) having the structure Phenylazobenzene-tetraethyleneglycol-Phenylazobenzene as the AA monomer and diols like diethylene glycol, tetraethylene glycol (TEG), and hexaethylene glycol as the BB comonomer. Terminal C(O)OMe units on P4P facilitated transesterification with diols to form polyesters. All polymers exhibited stable smectic mesophases. One of the polymers, Poly(P4PTEG) was chosen to prepare composite polymer electrolytes with LiCF3SO3 and ionic conductivity was measured by ac impedance spectroscopy. The polymer/0.3 Li salt complex exhibited a maximum ionic conductivity in the range of 10(-5) S cm(-1) at room temperature (25 degrees C), which increased to 10(-4) S cm(-1) above 65 degrees C. The temperature dependence of ionic conductivity was compared with the phase transitions occurring in the sample and it was observed that the glass transition had a higher influence on the ionic conductivity compared to the ordered LC phase. Reversible ionic conductivity switching was observed upon irradiation of the polymer/0.3 Li salt complex with alternate UV and visible irradiation. (c) 2014 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2015, 53, 629-641

10aazo polymers10aglass transition10aliquid-crystalline polymers (LCP)1 aNardele, Chinmay, G.1 aDhavale, Vishal, M.1 aSreekumar, K.1 aAsha, S., K. uhttps://library.ncl.res.in/content/ionic-conductivity-probed-main-chain-liquid-crystalline-azobenzene-polyesters-001985nas a2200301 4500008004100000022001400041245011300055210006900168260006700237300001200304490000700316520091400323653001601237653003001253653001601283100002601299700002401325700002801349700002801377700001801405700002001423700002301443700002401466700002001490700002201510700002101532856013001553 2015 eng d a1744-309100aIron superoxide dismutases in eukaryotic pathogens: new insights from apicomplexa and trypanosoma structures0 aIron superoxide dismutases in eukaryotic pathogens new insights  a111 RIVER ST, HOBOKEN 07030-5774, NJ USAbWILEY-BLACKWELLcMAY a615-6210 v713 a

Prior studies have highlighted the potential of superoxide dismutases as drug targets in eukaryotic pathogens. This report presents the structures of three iron-dependent superoxide dismutases (FeSODs) from Trypanosoma cruzi, Leishmania major and Babesia bovis. Comparison with existing structures from Plasmodium and other trypanosome isoforms shows a very conserved overall fold with subtle differences. In particular, structural data suggest that B. bovis FeSOD may display similar resistance to peroxynitrite-mediated inactivation via an intramolecular electron-transfer pathway as previously described in T. cruzi FeSOD isoform B, thus providing valuable information for structure-based drug design. Furthermore, lysine-acetylation results in T. cruzi indicate that acetylation occurs at a position close to that responsible for the regulation of acetylation-mediated activity in the human enzyme.

10aApicomplexa10airon superoxide dismutase10aTrypanosoma1 aPhan, Isabelle, Q. H.1 aDavies, Douglas, R.1 aMoretti, Nilmar, Silvio1 aShanmugam, Dhanasekaran1 aCestari, Igor1 aAnupama, Atashi1 aFairman, James, W.1 aEdwards, Thomas, E.1 aStuart, Kenneth1 aSchenkman, Sergio1 aMyler, Peter, J. uhttps://library.ncl.res.in/content/iron-superoxide-dismutases-eukaryotic-pathogens-new-insights-apicomplexa-and-trypanosoma-002384nas a2200217 4500008004100000022001400041245011100055210006900166260009000235300002600325490000600351520153400357100001901891700002101910700002001931700001901951700002301970700001801993700002402011856013102035 2015 eng d a2045-232200aIsolation, characterization and antifungal docking studies of wortmannin isolated from penicillium radicum0 aIsolation characterization and antifungal docking studies of wor aMACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLANDbNATURE PUBLISHING GROUPcJUL aArticle Number: 119480 v53 a

During the search for a potent antifungal drug, a cell-permeable metabolite was isolated from a soil isolate taxonomically identified as Penicillium radicum. The strain was found to be a potent antifungal agent. Production conditions of the active compound were optimized and the active compound was isolated, purified, characterized and identified as a phosphoinositide 3-kinase (PI3K) inhibitor, commonly known as wortmannin (Wtmn). This is very first time we are reporting the production of Wtmn from P. radicum. In addition to its previously discovered anticancer properties, the broad spectrum antifungal property of Wtmn was re-confirmed using various fungal strains. Virtual screening was performed through molecular docking studies against potential antifungal targets, and it was found that Wtmn was predicted to impede the actions of these targets more efficiently than known antifungal compounds such as voriconazole and nikkomycin i.e. 1) mevalonate-5-diphosphate decarboxylase (1FI4), responsible for sterol/isoprenoid biosynthesis; 2) exocyst complex component SEC3 (3A58) where Rho-and phosphoinositide-dependent localization is present and 3) Kre2p/Mnt1p a Golgi alpha1,2-mannosyltransferase (1S4N) involved in the biosynthesis of yeast cell wall glycoproteins). We conclude that Wtmn produced from P. radicum is a promising lead compound which could be potentially used as an efficient antifungal drug in the near future after appropriate structural modifications to reduce toxicity and improve stability.

1 aSingh, Vineeta1 aPraveen, Vandana1 aTripathi, Divya1 aHaque, Shafiul1 aSomvanshi, Pallavi1 aKatti, S., B.1 aTripathi, C., K. M. uhttps://library.ncl.res.in/content/isolation-characterization-and-antifungal-docking-studies-wortmannin-isolated-penicillium-101046nas a2200193 4500008004100000022001400041245005700055210005400112260011000166300001400276490000700290520034600297100002400643700002600667700002300693700002300716700002200739856009100761 2016 eng d a1477-052000aI-2-mediated regioselective C-3 azidation of indoles0 aI2mediated regioselective C3 azidation of indoles aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcFEB a3027-30300 v143 a

An unprecedented synthesis of novel 3-azido indoles has been developed using I-2 and NaN3 in high yields and excellent regio-selectivity. The reaction proceeds under metal-free conditions at room temperature. Essentially, an umpolung in reactivity at the C-3 position of indole has been achieved by the activation of indoles with I-2.

1 aPrasad, Pragati, K.1 aKalshetti, Rupali, G.1 aReddi, Rambabu, N.1 aKamble, Sanjay, P.1 aSudalai, Arumugam uhttps://library.ncl.res.in/content/i-2-mediated-regioselective-c-3-azidation-indoles-000784nas a2200217 4500008004100000245009400041210006900135260000800204300001400212490000700226100003500233700002400268700002200292700002400314700001900338700001800357700002000375700002700395700002100422856012300443 2016 eng d00aIdentification of noreremophilane-based inhibitors of angiogenesis using zebrafish assays0 aIdentification of noreremophilanebased inhibitors of angiogenesi cOCT a1569-15780 v141 aMuthukumarasamy, Kalai, Mangai1 aHandore, Kishor, L.1 aKakade, Dipti, N.1 aShinde, Madhuri, V.1 aRanjan, Shashi1 aKumar, Naveen1 aSehrawat, Seema1 aSachidanandan, Chetana1 aReddy, Srinivasa uhttps://library.ncl.res.in/content/identification-noreremophilane-based-inhibitors-angiogenesis-using-zebrafish-assays02099nas a2200181 4500008004100000022001400041245008800055210006900143260010300212300001100315490000800326520137100334100003001705700002101735700002101756700002301777856011701800 2016 eng d a0021-925800aIdentification of unintuitive features of sumoylation through mathematical modeling0 aIdentification of unintuitive features of sumoylation through ma a9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3996 USAbAMER SOC BIOCHEMISTRY MOLECULAR BIOLOGY INCcAPR a9458-+0 v2913 a

Sumoylation is a multistep, multienzymatic post-translational modification in which a small ubiquitin-like modifier protein (SUMO) is attached to the target. We present the first mathematical model for sumoylation including enzyme mechanism details such as autosumoylation of E2 and multifunctional nature of SENP. Simulations and analysis reveal three nonobvious properties for the long term response, modeled as an open system: (i) the steady state sumoylation level is robust to variation in several enzyme properties; (ii) even when autosumoylation of E2 results in equal or higher activity, the target sumoylation levels are lower; and (iii) there is an optimal SENP concentration at which steady state target sumoylation level is maximum. These results are qualitatively different for a short term response modeled as a closed system, where e.g. sumoylation always decreases with increasing SENP levels. Simulations with multiple targets suggest that the available SUMO is limiting, indicating a possible explanation for the experimentally observed low fractional sumoylation. We predict qualitative differences in system responses at short post-translational and longer transcriptional time scales. We thus use this mechanism-based model to explain system properties and generate testable hypotheses for existence and mechanism of unexpected responses.

1 aPuntambekar, Shraddha, S.1 aNyayanit, Dimpal1 aSaxena, Priyanka1 aGadgil, Chetan, J. uhttps://library.ncl.res.in/content/identification-unintuitive-features-sumoylation-through-mathematical-modeling01804nas a2200217 4500008004100000022001400041245010000055210006900155260011000224300001400334490000800348520093200356100001801288700002301306700002701329700002701356700003401383700001901417700002501436856012501461 2016 eng d a0003-265400aImmobilization of multivalent glycoprobes on gold surfaces for sensing proteins and macrophages0 aImmobilization of multivalent glycoprobes on gold surfaces for s aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcFEB a2250-22580 v1413 a

The multivalent display of carbohydrates on the cell surface provides cooperative binding to improve the specific biological events. In addition to multivalency, the spatial arrangement and orientation of sugars with respect to external stimuli also trigger carbohydrate-protein interactions. Herein, we report a non-covalent host-guest strategy to immobilize heptavalent glyco-beta-cyclodextrin on gold-coated glass slides to study multivalent carbohydrate-protein interactions. We have found that the localization of sugar entities on surfaces using beta-cyclodextrin (beta-CD) chemistry increased the avidity of carbohydrate-protein and carbohydrate-macrophage interactions compared to monovalent-beta-CD sugar coated surfaces. This platform is expected to be a promising tool to amplify the avidity of sugar-mediated interactions on surfaces and contribute to the development of next generation bio-medical products.

1 aGade, Madhuri1 aKhandelwal, Puneet1 aSangabathuni, Sivakoti1 aBavireddi, Harikrishna1 aMurthy, Raghavendra, Vasudeva1 aPoddar, Pankaj1 aKikkeri, Raghavendra uhttps://library.ncl.res.in/content/immobilization-multivalent-glycoprobes-gold-surfaces-sensing-proteins-and-macrophages02180nas a2200253 4500008004100000022001400041245009300055210006900148260009500217300001000312490000700322520129400329653001601623653002101639653001901660653001401679653002201693653001201715100001901727700002301746700001801769700002401787856011501811 2016 eng d a0960-308500aImmobilization of pectinase on reusable polymer support for clarification of apple juice0 aImmobilization of pectinase on reusable polymer support for clar a165-189 RAILWAY TERRACE, DAVIS BLDG, RUGBY CV21 3HQ, ENGLANDbINST CHEMICAL ENGINEERScJUL a12-190 v993 a

Pectinase (E.C.3.2.1.15) was successfully immobilized on recyclable polymer matrix. The immobilization matrix was prepared by reaction of polyethyleneimine (mol. wt. 70,000) with epoxy-activated acrylate copolymer DILBEAD-VWR. The enzyme pectinase was first adsorbed on the polymer at pH 7.0 via ion exchange and then stabilized by crosslinking with dextran aldehyde. While the free enzyme shows a pH-optimum of 5.0, the immobilized enzyme exhibited high level of activity in a broad pH range of pH 3.0-7.0. Although the thermal stability of free and immobilized enzymes was similar, at room temperature, the immobilized enzyme could be recycled more than 10 times with loss of less than 5% of its activity during clarification of apple juice. On the eventual loss of enzyme activity, the immobilized enzyme and dextran aldehyde can be easily removed from the polymer by a simple treatment with 1N HCl and the polymer can be reused for immobilization of a fresh batch of enzyme. This support also can be reused several times, making the process economically attractive. The properties of apple juice treated with immobilized enzyme were similar to those of that treated with free pectinase. (C) 2016 Institution of Chemical Engineers. Published by Elsevier B.V. All rights reserved.

10aApple juice10aDextran aldehyde10aImmobilization10aPectinase10aPolyethyleneimine10aPolymer1 aRajdeo, Kishor1 aHarini, Tirunagari1 aLavanya, Kuna1 aFadnavis, Nitin, W. uhttps://library.ncl.res.in/content/immobilization-pectinase-reusable-polymer-support-clarification-apple-juice01767nas a2200193 4500008004100000022001400041245009800055210006900153260007100222300001400293490000700307520103400314100001901348700001901367700002601386700001801412700001901430856012401449 2016 eng d a0888-588500aImpact of H2S impurity on carbon dioxide hydrate formation kinetics in fixed bed arrangements0 aImpact of H2S impurity on carbon dioxide hydrate formation kinet a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcJUL a7964-79720 v553 a

In the present work, a combination of silica sand and metallic sheets as a fixed bed media was used for carbon dioxide hydrate formation studies. Two metallic sheets, aluminum and brass, were incorporated into the fixed bed of silica sand to enhance heat transfer properties of the bed. The results obtained from this arrangement of metal sheets were compared with those obtained with a pure silica sand system. Both brass and aluminum systems were found to be good candidates to enhance gas hydrate formation kinetics compared to simply a sand system. Production of fuel gas from coal often contains a toxic gas, hydrogen sulfide (H2S). For the first time, the effect of H2S on the formation kinetics of CO2 + H-2 + H2S hydrates has been studied. It was observed that the presence of H2S does not affect the hydrate formation kinetics and total gas uptake in the presence of H2S is either as good as CO2 + H-2 hydrate or better. However, H2S impurity in the fuel gas mixture shows a corrosive effect on silica sand media.

1 aKumar, Asheesh1 aSakpal, Tushar1 aBhattacharjee, Gaurav1 aKumar, Anupam1 aKumar, Rajnish uhttps://library.ncl.res.in/content/impact-h2s-impurity-carbon-dioxide-hydrate-formation-kinetics-fixed-bed-arrangements00603nas a2200169 4500008004100000245007700041210006900118260000800187300001500195490000700210100002200217700002500239700002300264700002400287700002400311856009800335 2016 eng d00aImpact of modular substitution on crystal packing: the tale of two ureas0 aImpact of modular substitution on crystal packing the tale of tw cAUG a 7078-70940 v181 aKoshti, Vijay, S.1 aThorat, Shridhar, H.1 aGote, Ravindra, P.1 aChikkali, Samir, H.1 aGonnade, Rajesh, G. uhttps://library.ncl.res.in/content/impact-modular-substitution-crystal-packing-tale-two-ureas02591nas a2200217 4500008004100000245016400041210006900205260000800274300001400282490000700296520179200303100002002095700002202115700001702137700001902154700002102173700001402194700001802208700001702226856013002243 2016 eng d00aImproved all-polymer solar cell performance of n-type naphthalene diimide-bithiophene P(NDI2OD-T2) copolymer by incorporation of perylene diimide as coacceptor0 aImproved allpolymer solar cell performance of ntype naphthalene  cNOV a8113-81250 v493 a

Naphthalene diimide-bithiophene P(NDI2OD-T2) is a well-known donor-acceptor polymer, previously explored as n-type material in all-polymer solar cells (all-PSCs) and organic field effect transistor (OFETs) applications. The optical, bulk, electrochemical, and semiconducting properties of P(NDI2OD-T2) polymer were tuned via random incorporation of perylene diimide (PDI) as coacceptor with naphthalene diimide (NDI). Three random copolymers containing 2,2'-bithiophene as donor unit and varying compositions of naphthalene diimide (NDI) and perylene diimide (xPDI, x = 15, 30, and 50 mol % of PDI) as two mixed acceptors were synthesized by Stille coupling copolymerization. Proton NMR spectra recorded in CD Cl-3 showed that the pi-pi stacking induced aggregation among the naphthalene units could be successfully disrupted by the random incorporation of bulky PDI units. The newly synthesized random copolymers were investigated as electron acceptors in BHJ all-PSCs, and their performance was compared with P(NDI2OD-T2) as reference polymer. An enhanced PCE of 5.03% was observed for BHJ all-PSCs (all-polymer solar cells) fabricated using NDI-Th-PDI30 as acceptor and PTB7-Th as donor, while the reference polymer blend with the same donor polymer exhibited PCE of 2.97% efficiency under similar conditions. SCLC bulk carrier mobility measured for blend devices showed improved charge mobility compared to reference polymer, with PTB7-Th:NDI-Th-PDI30 blend device exhibiting the high hole and electron mobility of 4.2 x 10(-4) and 1.5 x 10(-4) cm(2)/(V s), respectively. This work demonstrates the importance of molecular design via random copolymer strategy to control the bulk crystallinity, compatibility, blend morphology, and solar cell performance of n-type copolymers.

1 aSharma, Sandeep1 aKolhe, Nagesh, B.1 aGupta, Vinay1 aBharti, Vishal1 aSharma, Abhishek1 aDatt, Ram1 aChand, Suresh1 aAsha, S., K. uhttps://library.ncl.res.in/content/improved-all-polymer-solar-cell-performance-n-type-naphthalene-diimide-bithiophene-pndi2od02264nas 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-001570nas a2200169 4500008004100000245016400041210006900205260000800274300001400282490000600296520087000302100002601172700002001198700002301218700003001241856012901271 2016 eng d00aIn situ electrochemical transformation of Ni3S2 and Ni3S2-Ni from sheets to nanodisks: towards efficient electrocatalysis for hydrogen evolution reaction (HER)0 aIn situ electrochemical transformation of Ni3S2 and Ni3S2Ni from cDEC a6708-67120 v13 aTransition metal sulphides have been viewed as alternatives to platinum based electrocatalysts for HER. Herein, we report the preparation of Ni3S2 in conjunction with Ni in a novel nanosheet morphology and verified its performance for HER. During cyclic polarization, exotic morphological transformation of Ni-3 S-2-Ni from nanosheets to nanodisks has been noted. This change is accompanied with initial increase in over-potential that passed through maxima (similar to 100mV above the starting potential) and decreased to similar to 50mV below the starting value. Enhanced electrocatalytic activity due to the morphological changes from sheets to nanodisks has been attributed to the formation of more number of exposed edge-planes known to promote HER. Kinetic analysis based on Tafel slope displayed by this composite is comparable to that of Pt based catalysts.1 aBusupalli, Balanagulu1 aBattu, Shateesh1 aHaram, Santosh, K.1 aPrasad, Bhagavatula L. V. uhttps://library.ncl.res.in/content/situ-electrochemical-transformation-ni3s2-and-ni3s2-ni-sheets-nanodisks-towards-efficient02497nas a2200205 4500008004100000245014300041210006900184260000800253300001600261490000600277520171800283100002602001700002202027700002602049700002402075700002502099700001802124700002102142856012802163 2016 eng d00aIn situ fabrication of highly crystalline CdS decorated Bi2S3 nanowires (nano-heterostructure) for visible light photocatalyst application0 aIn situ fabrication of highly crystalline CdS decorated Bi2S3 na cFEB a23508-235170 v63 a

In situ synthesis of the orthorhombic Bi2S3 nanowires decorated with hexagonal CdS nanoparticles (nano-heterostructure) has been demonstrated by a facile solvothermal method. The tiny 5-7 nm CdS spherical nanoparticles are decorated on the surfaces of 30-40 nm Bi2S3 nanowires, successfully. Structural, morphological and optical studies clearly show the existence of CdS on the nanowires. A possible sequential deposition growth mechanism is proposed on the basis of experimental results to reveal the formation of the nano heterostructure. The heterostructures have been used as a photocatalyst for hydrogen production as well as degradation of methylene blue under solar light. The maximum hydrogen evolution i.e. 4560 and 2340 mu mol h(-1) 0.5 g was obtained from H2S splitting and glycerol degradation for Bi2S3 NWs decorated with CdS nanoparticles (nano-heterostructure) which is higher than that of the Bi2S3 NWs (3000 and 1170 mu mol h(-1) 0.5 g, respectively). The enhanced photocatalytical hydrogen evolution efficiency of the heterostructures is mainly attributed to its nanostructure. In the nano heterostructure, the CdS nanoparticles control the charge carrier transition, recombination, and separation, while the Bi2S3 nanowire serves as a support for the CdS nanoparticles. The photogenerated electron's migration is faster than the holes from the inside of a CdS nanoparticle to its surface or to the phase interface, resulting in a relatively higher hole density inside the CdS nanoparticle leaving electron density at surface of the Bi2S3 NWs. This influences the photocatalytic activity under solar light. Such nano-heterostructures may have potential in other photocatalytic reactions.

1 aPanmand, Rajendra, P.1 aSethi, Yogesh, A.1 aDeokar, Rajashree, S.1 aLate, Dattatray, J.1 aGholap, Haribhau, M.1 aBaeg, Jin-Ook1 aKale, Bharat, B. uhttps://library.ncl.res.in/content/situ-fabrication-highly-crystalline-cds-decorated-bi2s3-nanowires-nano-heterostructure-101733nas a2200205 4500008004100000245011600041210006900157260000800226300001400234490000700248520098800255100002401243700002501267700002301292700002401315700002301339700001901362700001901381856012701400 2016 eng d00aIn vitro and ex vivo antitubercular activity of diarylheptanoids from the rhizomes of alpinia officinarum hance0 aIn vitro and ex vivo antitubercular activity of diarylheptanoids cMAR a2825-28300 v303 a

Phytochemical investigation of methanol extract of the rhizomes of Alpinia officinarum Hance afforded four known diarylheptanoids 1,7-diphenylhept-4-en-3-one (1), 5-hydroxy-1,7-diphenyl-3-heptanone (2), 5-hydroxy-7-(4 ''-hydroxy-3 ''-methoxyphenyl)-1-phenyl-3-heptanone (3), and 7-(4 ''-hydroxy-3 ''-methoxyphenyl)-1-phenyl heptan-3-one (4).The acetate derivative of (4), 7-(4 ''-actetate-3 ''-methoxy phenyl)-1-phenyl heptan-3-one (5), was prepared. These diarylheptanoids exhibited promising in vitro and ex vivo antitubercular activity for the first time against dormant Mycobacterium tuberculosis H37Ra with the IC50 values between 0.3447.69 and 0.1322.91 mu M, respectively. All compounds showed comparable activity against Mycobacterium bovis BCG (dormant phage) and did not show any activity against two gram + ve and two gram -ve bacterial strains. These compounds were also weakly cytotoxic up to 300 mu M against three human cancer cell lines THP-1, Panc-1 and A549.

1 aHonmore, Varsha, S.1 aRojatkar, Supada, R.1 aNawale, Laxman, U.1 aArkile, Manisha, A.1 aKhedkar, Vijay, M.1 aNatu, Arun, D.1 aSarkar, Dhiman uhttps://library.ncl.res.in/content/vitro-and-ex-vivo-antitubercular-activity-diarylheptanoids-rhizomes-alpinia-officinarum01966nas a2200217 4500008004100000022001400041245014600055210006900201260009900270300001000369490000700379520107700386653001901463653001401482653002801496100002601524700002101550700002801571700002201599856012701621 2016 eng d a0032-386100aIncorporation of rigid polyaromatic groups in polybenzimidazole-based polymeric ionic liquids: assertive effects on gas permeation properties0 aIncorporation of rigid polyaromatic groups in polybenzimidazoleb aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLANDbELSEVIER SCI LTDcJUN a30-360 v933 a

Polymeric ionic liquids (PILs) have emerged as promising membrane materials for CO2 separation. The present work is aimed at investigating the effects of incorporation of rigid polyaromatic hydrocarbons, viz., pyrene and anthracene, in polybenzimidazole-based PILs. The effects of substituent and anion variation on the gas permeation properties of PILs using pure gases were examined at 20 atm upstream pressure. The results were correlated with physical properties of PILs. The pyrene substituted PIL exhibited similar to 10 fold increase in CO2 permeability as compared to its precursor polymer PBI-BuI. The combination of a CO2 specific anion and bulky group substitution offered higher CO2 permeability as well as appreciable permselectivity than their structural analogue that was devoid of IL functionality. The permeation properties of present PILs were superior to those of conventional glassy polymers such as polysulfone, matrimid and polycarbonate which are widely studied for their gas permeation properties. (C) 2016 Elsevier Ltd. All rights reserved.

10aGas permeation10amembranes10aPolymeric ionic liquids1 aShaligram, Sayali, V.1 aRewar, Anita, S.1 aWadgaonkar, Prakash, P.1 aKharul, Ulhas, K. uhttps://library.ncl.res.in/content/incorporation-rigid-polyaromatic-groups-polybenzimidazole-based-polymeric-ionic-liquids01771nam 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=7c8f7f226127f1f797c566d20e205f1702567nas a2200157 4500008004100000245007300041210006900114260000800183300001600191490000700207520201500214100002402229700003202253700002202285856010202307 2016 eng d00aIndustrial wastewater treatment for fertilizer industry a case study0 aIndustrial wastewater treatment for fertilizer industry a case s cDEC a27934-279440 v573 aWastewaters from chemical fertilizer industry mainly contain organics, alcohols, ammonia, nitrates, phosphorous, heavy metals such as cadmium and suspended solids. The nature of effluent streams varies in terms of its constituents and complexity. The present work attempts to fill the void in the literature that mostly reports synthetic wastewater treatment studies, by evaluating effluent treatment solutions and comparison of different methods for real wastewaters from the fertilizer industry. An attempt has been made to devise suitable methodology mainly using a new device in the form of vortex diode for hydrodynamic cavitation and also using adsorption, for several real wastewater streams from different locations in one major fertilizer industry of Maharashtra, India. The strategy involved characterization of wastewaters, studies on the effective removal of chemical oxygen demand (COD) and devising solutions for effective reduction in ammoniacal nitrogena more serious issue in the fertilizer industry. The characterization of wastewaters from different streams revealed huge variation in COD from 50 to 140,000ppm and ammoniacal nitrogen from 6 to 1,700ppm. Some effluent streams contained alcohol up to 5%. Hydrodynamic cavitation using vortex diode and adsorption with modified carbons were used to treat these streams. Cavitation studies were carried out on a pilot plant and the effect of pressure drop, cavitating device and process intensification were studied. It was observed that the effluent treatment strategy requires careful identification and application of suitable treatment method on the basis of the nature of the effluent. Also, hydrodynamic cavitation, using vortex diode appears to be techno-economically attractive option in treating fertilizer wastewaters giving a very high reduction in COD and ammoniacal nitrogen (up to 85%), similar to adsorption. The results clearly identify potential of newer methodologies in the treatment of effluents in the fertilizer industry.1 aBhandari, Vinay, M.1 aSorokhaibam, Laxmi, Gayatri1 aRanade, Vivek, V. uhttps://library.ncl.res.in/content/industrial-wastewater-treatment-fertilizer-industry-case-study01680nas 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-zno01981nas a2200169 4500008004100000022001400041245013500055210006900190260007100259300001400330490000800344520127300352100001801625700002401643700001801667856012601685 2016 eng d a1520-610600aInfluence of ionic liquids on thermodynamics of small molecule DNA interaction: the binding of ethidium bromide to calf thymus DNA0 aInfluence of ionic liquids on thermodynamics of small molecule D a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcMAR a2691-27000 v1203 a

Ionic liquids (ILs) are salts with poor ionic coordination, resultantly remaining in liquid state below 100 degrees C and some may retain liquid state even at room temperature. ILs are known to provide a conducive environment for many biological enzymatic reactions, but their interaction with biomacromolecules are poorly understood. In the present study, we investigate the effect of various ionic liquids on DNA small molecule interaction using calf thymus DNA (ctDNA) ethidium bromide (EB) as a model system. The effect of various ionic liquids on these interactions is studied by an array of techniques such as circular dichroism (CD), UV melting, fluorescence exclusion and isothermal titration calorimetry. Interestingly, we observed that presence of IL increased the stability of ctDNA without altering its structure. The binding affinities Kbs for EB binding to ctDNA in the presence of 300 mM ILs are about half order of magnitude smaller than the Kbs in absence of ILs and correspond to a less favorable free energy. We noted that, when adjusted to corresponding buffer condition, the unfavorable shift in AG of ctDNA-EB interaction is attributed to decreased entropy in the case of ILs, whereas the same effect by NaCI was due to increased enthalpy.

1 aMishra, Arpit1 aEkka, Mary, Krishna1 aMaiti, Souvik uhttps://library.ncl.res.in/content/influence-ionic-liquids-thermodynamics-small-molecule-dna-interaction-binding-ethidium01444nas a2200181 4500008004100000245013100041210006900172260000800241300001400249490000600263520077300269100001401042700002201056700001701078700001401095700002101109856013201130 2016 eng d00aInfluence of kinetic and thermodynamic promoters on post-combustion carbon dioxide capture through gas hydrate crystallization0 aInfluence of kinetic and thermodynamic promoters on postcombusti cJUN a1955-19610 v43 aIn the present work, we report enhanced kinetics of hydrate formation in the presence of kinetic and thermodynamic promoters, SDS (sodium dodecyl sulphate) and THF (tetrahydrofuran) respectively. Hydrate formation was carried out in a fixed bed reactor for post-combustion capture of CO2. Silica sand was used as a fixed bed medium to capture CO2 from a CO2/N2/SO2 (17.7 mol% CO2, 1.05 mol% SO2 and balance N2) gas mixture by hydrate crystallisation. Experiments were performed at a constant temperature (273.65 K) and at different pressures (9.5 and 2.45 MPa) in batch mode. It was found that the addition of SDS enhances the rate and gas uptake of gas hydrate formation. A higher gas consumption was achieved by using 5.56 mol% THF compared to 1.0 and 3.0 mol% THF. 1 aKumar, A.1 aBhattacharjee, G.1 aBarmecha, V.1 aDiwan, S.1 aKushwaha, O., S. uhttps://library.ncl.res.in/content/influence-kinetic-and-thermodynamic-promoters-post-combustion-carbon-dioxide-capture-through01541nas a2200241 4500008004100000022001400041245013200055210006900187260000800256300001200264490000700276520072300283653001501006653001101021653001301032653001801045653002101063100001701084700002201101700002601123700001801149856013201167 2016 eng d a2159-333700aInhibition of miR-21 by 3 `/5 `-serinyl-capped 2 `-O-Methyl RNA Interspersed with 2 `-O-(2-Amino-3-Methoxypropyl) uridine units0 aInhibition of miR21 by 3 5 serinylcapped 2 OMethyl RNA Intersper cOCT a327-3340 v263 a

miRNAs are highly conserved class of small ncRNAs whose involvement in human pathophysiologies is extensively investigated. MiR-21 is a well established oncogenic miRNA whose deregulation plays a significant role in onset and progression of cancer. The need of novel approaches to downregulate miR-21 is rapidly expanding. Potent inhibition of miR-21 is achieved by chemically modified 2-O-methyl RNA oligonucleotide. The serinol capping at 3 and 5ends and the interspersed 2-O-(R-2-amino-3-methoxypropyl) uridine units enhance the nuclease resistance and efficacy of 2-O-methyl RNA for the inhibition of miR-21. This represents a simple and novel modification for developing oligonucleotide-based therapeutics.

10aantagomirs10acancer10amicroRNA10anoncoding RNA10aoligonucleotides1 aNahar, Smita1 aKotikam, Venubabu1 aKumar, Vaijayanti, A.1 aMaiti, Souvik uhttps://library.ncl.res.in/content/inhibition-mir-21-3-5-serinyl-capped-2-o-methyl-rna-interspersed-2-o-2-amino-3-methoxypropyl02008nas a2200169 4500008004100000245009300041210006900134260000800203300001400211490000800225520140700233100002001640700001801660700002101678700001701699856012201716 2016 eng d00aInhibition of quorum-sensing-mediated biofilm formation in Cronobacter sakazakii strains0 aInhibition of quorumsensingmediated biofilm formation in Cronoba cSEP a1708-17140 v1623 aThe present study investigated plant extracts for their anti-quorum-sensing (QS) potential to inhibit the biofilm formation in Cronobacter sakazakii strains. The bioassay based on loss of pigment production by Chromobacterium violaceum 026 and Agrobacterium tumefaciens NTL4 (pZLR4) was used for initial screening of the extracts. Further, the effect of extracts on the inhibition of QS-mediated biofilm in C. sakazakii isolates was evaluated using standard crystal violet assay. The effect on biofilm texture was studied using SYTO9 staining and light and scanning electron microscopy. Among the tested extracts, Piper nigrum and Cinnamomum verum at 100 ppm resulted in 78 and 68% reduction in the production of violacein as well as blue-green colour in both biosensor strains. A higher inhibitory activity (>50 %) on biofilm formation in C. sakazakii was observed for Pip. nigrum and Cin. verum, whereas the other extracts possessed moderate (25-50 %) and minimal (<25 %) inhibitory activities. Further, the fluorescent and scanning electron microscopic images indicated a major disruption in the architecture of biofilms of tested strains by Pip. nigrum. This study points to the possibility of using Pip. nigrum and Cin. verum as inhibitor of QS-mediated biofilm formation by C. sakazakii that could be further explored for novel bioactive molecules to limit the emerging infections of C. sakazakii1 aSingh, Niharika1 aPatil, Amrita1 aPrabhune, Asmita1 aGoel, Gunjan uhttps://library.ncl.res.in/content/inhibition-quorum-sensing-mediated-biofilm-formation-cronobacter-sakazakii-strains02304nas a2200265 4500008004100000022001400041245016000055210006900215260007300284300001200357490000700369520129300376653001101669653002201680653001301702653001701715653002801732653002601760100002401786700002301810700002201833700002601855700002601881856013101907 2016 eng d a1350-417700aIntensification of degradation of methomyl (carbamate group pesticide) by using the combination of ultrasonic cavitation and process intensifying additives0 aIntensification of degradation of methomyl carbamate group pesti aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcJUL a135-1420 v313 a

In the present work, the degradation of methomyl has been carried out by using the ultrasound cavitation (US) and its combination with H2O2, Fenton and photo-Fenton process. The study of effect of operating pH and ultrasound power density has indicated that maximum extent of degradation of 28.57% could be obtained at the optimal pH of 2.5 and power density of 0.155 W/mL. Application of US in combination with H2O2, Fenton and photo-Fenton process has further accelerated the rate of degradation of methomyl with complete degradation of methomyl in 27 min, 18 min and 9 min respectively. Mineralization study has proved that a combination of US and photo -Fenton process is the most effective process with maximum extent of mineralization of 78.8%. Comparison of energy efficiency and cost effectiveness of various processes has indicated that the electrical cost of 79892.34 Rs./m(3) for ultrasonic degradation of methomyl has drastically reduced to 2277.00 Rs./m(3), 1518.00 Rs./m(3) and 807.58 Rs./m(3) by using US in combination with H2O2, Fenton and photo-Fenton process respectively. The cost analysis has also indicated that the combination of US and photo-Fenton process is the most energy efficient and cost effective process. (C) 2015 Elsevier B.V. All rights reserved.

10aFenton10aHydrogen peroxide10aMethomyl10aPhoto-Fenton10aSynergistic coefficient10aUltrasound cavitation1 aRaut-Jadhav, Sunita1 aPinjari, Dipak, V.1 aSaini, Daulat, R.1 aSonawane, Shirish, H.1 aPandit, Aniruddha, B. uhttps://library.ncl.res.in/content/intensification-degradation-methomyl-carbamate-group-pesticide-using-combination-ultrasonic02121nas a2200229 4500008004100000022001400041245006700055210006700122260010600189300001200295490000800307520132300315653001801638653001601656653003001672653002001702653001801722653001401740100001501754700002301769856009901792 2016 eng d a0009-250900aInterfacial precipitation and clogging in straight capillaries0 aInterfacial precipitation and clogging in straight capillaries aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcOCT a344-3530 v1533 a

Clogging of straight capillaries during interfacial precipitation (of common salt from saturated salt solution and acetone) was studied for a range of conditions that result in different flow regimes. The particle formation and clogging was explored using the images obtained by tracking a moving slug in real time. The flow regimes varied along the capillary length due to continuous mass transfer of acetone to water resulting in elongation of continuous phase slugs. In the slug flow regime, the precipitated particles formed solid shells/hemi spherical caps at the rear of acetone slugs, which eventually get detached from the interface. In the wavy parallel flow regime, where the interface is not flat, salting out was almost instantaneous and it led to faster clogging of the channels. Smaller Ca, i.e. lower flow rates or the use of smaller capillary length or using continuous fluid of relatively higher viscosity or lower interfacial tension can help to avoid or delay clogging. Formation of cohesive shells at the rear of a slug delayed clogging in the capillaries by delaying settling of individual particles. Parallel flow regime with a flat interface delayed the clogging significantly due to poor mass transfer as well as higher superficial velocities. (C) 2016 Elsevier Ltd. All rights reserved.

10aClogging time10aFlow regime10aInterfacial precipitation10aMicro-capillary10aPorous shells10aslug flow1 aPal, Sayan1 aKulkarni, Amol, A. uhttps://library.ncl.res.in/content/interfacial-precipitation-and-clogging-straight-capillaries01975nas a2200229 4500008004100000022001400041245014000055210006900195260007100264300001200335490000700347520109700354653002401451653002401475653001701499653001801516653002401534100001701558700002501575700001901600856012601619 2016 eng d a0091-403700aInterfacial tension approach toward drug loading with two-dimensional crosslinked polymer embedded gold: adsorption kinetics evaluation0 aInterfacial tension approach toward drug loading with twodimensi aKARL JOHANS GATE 5, NO-0154 OSLO, NORWAYbTAYLOR & FRANCIS AScJAN a168-1750 v653 a

Interfacial tension of drugs with hydrophilic polymer (A) embedded gold resulting into selective drug adsorption, which also affected the drug adsorption kinetics. Two-dimensional crosslinked polymer embedded gold was synthesized for drug loading application in an acidic buffer. Lower interfacial tension of pantoprazole sodium (B) revealed the exponential loading inversely loading was gradual for chloroquine (C) having more interfacial tension with adsorbent. Initial 2 h was the exponential adsorption period for a pantoprazole sodium whereas exponential adsorption begins after 12 h for a chloroquine. Monolayer drug adsorption was obtained because Langmuir adsorption isotherm was obeyed by both drugs. Moreover, pseudo first-and pseudo second-order kinetics was also evaluated which demonstrated that reactive sites of the adsorbent are homogeneous and drug adsorption mechanism is chemisorption and not the physisorption. Thermal analysis was evaluated to confirm the polymer thermostability and glass transition temperature during catalytic applications in thermal reactions.

10aAdsorption isotherm10aadsorption kinetics10adrug loading10adrug polarity10aInterfacial tension1 aMane, Sachin1 aPonrathnam, Surendra1 aChavan, Nayaku uhttps://library.ncl.res.in/content/interfacial-tension-approach-toward-drug-loading-two-dimensional-crosslinked-polymer-001778nas a2200205 4500008004100000022001400041245009400055210006900149260007100218300001400289490000700303520101700310100001901327700001701346700001701363700002601380700001801406700002001424856012801444 2016 eng d a0897-475600aInterplaying intrinsic and extrinsic proton conductivities in covalent organic frameworks0 aInterplaying intrinsic and extrinsic proton conductivities in co a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcMAR a1489-14940 v283 a

A sulfonic-acid-based covalent organic framework (TpPa-SO3H) has been synthesized that exhibits intrinsic proton conductivity under anhydrous conditions. The sulfonic acid groups are aligned on the two-dimensional (2D) layers at periodic intervals and promote the proton hopping inside the hexagonal one-dimensional channel. The intrinsic proton conductivity of TpPa-SO3H was measured as 1.7 X 10(-5) S cm(-1) at 120 degrees C under anhydrous conditions. To enhance the proton conductivity, we have synthesized a hybrid COF TpPa(SO3H-Py) by a ligand-based solid-solution approach that contains sulfonic acid as the acidic site, as well as pyridine as the basic site, in order to immobilize acidic proton carrier molecules. Impregnation of phytic acid molecules inside the framework increases the anhydrous proton conductivity up to 5 x 10(-4) S cm(-1) at 120 degrees C. Such an approach highlights the advantage and first-time use of hybrid COF for interplaying intrinsic to extrinsic proton conductivity.

1 aChandra, Suman1 aKundu, Tanay1 aDey, Kaushik1 aAddicoat, Matthew, A.1 aHeine, Thomas1 aBanerjee, Rahul uhttps://library.ncl.res.in/content/interplaying-intrinsic-and-extrinsic-proton-conductivities-covalent-organic-frameworks-001367nas a2200193 4500008004100000022001400041245011300055210006900168260007100237300001400308490000700322520062500329100001700954700002400971700001500995700001701010700002001027856012601047 2016 eng d a0022-326300aIntramolecular dehydrogenative coupling of 2,3-diaryl acrylic compounds: access to substituted phenanthrenes0 aIntramolecular dehydrogenative coupling of 23diaryl acrylic comp a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcJUL a5663-56690 v813 a

A simple, facile, and environmentally benign intramolecular dehydrogenative coupling of various 1,2-diarylethylenes for the synthesis of phenanthrenes in excellent yield has been described. This new methodology uses ceric ammonium nitrate (CAN) as a promoter at room temperature and has been extended to intermolecular synthesis of biaryl compounds. The electron transfer from methoxyarene to cerium leads to cationic radical formation, which further proceeds to intramolecular coupling. Preliminary mechanistic investigation by EPR spectroscopy and density functional theory calculation suggested a similar view.

1 aGupta, Vijay1 aRao, V., U. Bhaskar1 aDas, Tamal1 aVanka, Kumar1 aSingh, Ravi, P. uhttps://library.ncl.res.in/content/intramolecular-dehydrogenative-coupling-23-diaryl-acrylic-compounds-access-substituted02765nas a2200217 4500008004100000022001400041245016600055210006900221260011000290300001200400490000600412520183400418100002602252700002702278700002102305700003102326700001902357700002102376700001902397856013102416 2016 eng d a2050-750X00aInverse high internal phase emulsion polymerization (i-HIPE) of GMMA, HEMA and GDMA for the preparation of superporous hydrogels as a tissue engineering scaffold0 aInverse high internal phase emulsion polymerization iHIPE of GMM aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcNOV a450-4600 v43 a

A series of novel superporous hydrogels for regenerative medicine were prepared by oil-in-water (o/w) or inverse high internal phase emulsion (i-HIPE) copolymerization of glycerol monomethacrylate (GMMA), 2-hydroxy ethyl methacrylate (HEMA) and glycerol dimethacrylate (GDMA) as a cross-linker using a non toxic solvent and a redox initiator system at the physiological temperature (37 degrees C). The monomer GMMA was synthesized from glycidyl methacrylate (GMA) by an alternative facile method using Amberlyst-15. The described i-HIPEs showed a significantly wider stability window. The polyHIPE hydrogels were characterized by FTIR, BET method for surface area, mercury porosimetry, SEM, DSC, TGA, XRD, compressive strain and strain recovery. The swelling ratio of the hydrogels and their degradation in 0.007 M NaOH and lipase B (Candida antarctica) solutions were determined gravimetrically and the rate of degradation was explained in terms of the molecular structure of the hydrogels. The morphological studies showed that the pore diameter varied between 20 and 30 mu m and the pore throats (interconnecting windows) diameter was in the range of 4-8 mu m. The described polyHIPE hydrogels were found to have an open cell morphology and interconnected pore architecture, which are important characteristics for scaffold applications. The initial cytotoxicity study performed according to ISO-10993-5 indicated cytocompatibility (97% cell viability) and the subsequent cell seeding and proliferation study exhibited 55-88% cell viability (increased monotonously from GHG-1 to GHG-5), which could be attributed to modulation of the physical and chemical properties of the hydrogels. The described super porous hydrogels are considered as potential candidates for scaffold materials in tissue engineering applications.

1 aNalawade, Archana, C.1 aGhorpade, Ravindra, V.1 aShadbar, Sadiqua1 aQureshi, Mohammed, Shadbar1 aChavan, Nayaku1 aKhan, Ayesha, A.1 aPonrathnam, S. uhttps://library.ncl.res.in/content/inverse-high-internal-phase-emulsion-polymerization-i-hipe-gmma-hema-and-gdma-preparation-002450nas a2200157 4500008004100000245014900041210006900190260000800259300001100267490000800278520181500286100002602101700001602127700002102143856012802164 2016 eng d00aInverse problem studies of biochemical systems with structure identification of S-systems by embedding training functions in a genetic algorithm0 aInverse problem studies of biochemical systems with structure id cMAY a93-1060 v2753 aAn efficient inverse problem approach for parameter estimation, state and structure identification from dynamic data by embedding training functions in a genetic algorithm methodology (ETFGA) is proposed for nonlinear dynamical biosystems using S-system canonical models. Use of multiple shooting and decomposition approach as training functions has been shown for handling of noisy datasets and computational efficiency in studying the inverse problem. The advantages of the methodology are brought out systematically by studying it for three biochemical model systems of interest. By studying a small-scale gene regulatory system described by a S-system model, the first example demonstrates the use of ETFGA for the multifold aims of the inverse problem. The estimation of a large number of parameters with simultaneous state and network identification is shown by training a generalized S-system canonical model with noisy datasets. The results of this study bring out the superior performance of ETFGA on comparison with other metaheuristic approaches. The second example studies the regulation of cAMP oscillations in Dictyostelium cells now assuming limited availability of noisy data. Here, flexibility of the approach to incorporate partial system information in the identification process is shown and its effect on accuracy and predictive ability of the estimated model are studied. The third example studies the phenomenological toy model of the regulation of circadian oscillations in Drosophila that follows rate laws different from S-system power-law. For the limited noisy data, using a priori information about properties of the system, we could estimate an alternate S-system model that showed robust oscillatory behavior with predictive abilities. (C) 2016 Elsevier Inc. All rights reserved.1 aSarode, Ketan, Dinkar1 aKumar, Ravi1 aKulkarni, B., D. uhttps://library.ncl.res.in/content/inverse-problem-studies-biochemical-systems-structure-identification-s-systems-embedding01139nas a2200157 4500008004100000245013700041210006900178260000800247490000600255520049900261100002500760700002000785700002600805700002300831856012700854 2016 eng d00aInvestigation of microbial diversity in geothermal hot springs in Unkeshwar, India, based on 16S rRNA amplicon metagenome sequencing0 aInvestigation of microbial diversity in geothermal hot springs i cFEB0 v43 a

Microbial diversity in geothermal waters of the Unkeshwar hot springs in Maharashtra, India, was studied using 16S rRNA amplicon metagenomic sequencing. Taxonomic analysis revealed the presence of Bacteroidetes , Proteobacteria , Cyanobacteria , Actinobacteria , Archeae , and OD1 phyla. Metabolic function prediction analysis indicated a battery of biological information systems indicating rich and novel microbial diversity, with potential biotechnological applications in this niche.

1 aMehetre, Gajanan, T.1 aParanjpe, Aditi1 aDastager, Syed, Gulam1 aDharne, Mahesh, S. uhttps://library.ncl.res.in/content/investigation-microbial-diversity-geothermal-hot-springs-unkeshwar-india-based-16s-rrna01247nas a2200157 4500008004100000022002000041245005500061210005400116260001800170300001200188520073800200100002100938700002400959700001900983856008701002 2016 eng d a978-012801457-800aIon exchange resin catalyzed reactions-An overview0 aIon exchange resin catalyzed reactionsAn overview bElsevier Inc. a393-4263 aThis chapter gives an overview of ion exchange resins as catalyst for a variety of reactions. Emphasis is placed on the use of resin as a catalyst rather than on reactions. Various aspects of resin catalysis, such as types of reactions where resin can be used, the physical form of resin and activity, and issues pertaining to its application as a catalyst are discussed. Advantages and disadvantages of resins as catalyst for different types of reactions are highlighted. Aspects like reactor configurations, selection of resin, process integration, process separations and the environmental impact of using resins as catalysts are also included. Possible future developments in the ion exchange catalysis area are also highlighted.1 aBhandari, V., M.1 aSorokhaibam, L., G.1 aRanade, V., V. uhttps://library.ncl.res.in/content/ion-exchange-resin-catalyzed-reactions-overview01777nas a2200157 4500008004100000022001400041245012200055210006900177260011000246300001400356490000700370520105900377100002201436700002901458856013201487 2016 eng d a1463-926200aIonic liquids catalyzed lignin liquefaction: mechanistic studies using TPO-MS, FT-IR, RAMAN and 1D, 2D-HSQC/NOSEY NMR0 aIonic liquids catalyzed lignin liquefaction mechanistic studies  aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcAPR a4098-41080 v183 a

Valorization of a profusely available alternate resource, biomass and in particular its 3-D intricate component lignin into low molecular weight aromatic products are used as platform chemicals and fuel additives, and developing a low temperature catalytic process is imperative in preserving atom efficiency. Ionic liquids, due to their unique properties, offer an advantage to develop such methods under milder conditions. Herein, we show use of -SO3H functionalized imidazolium based various recyclable Bronsted acidic ionic liquids (BAILs) in catalytic quantity under ambient pressure at 120 degrees C for depolymerization of lignin (60 000 g mol(-1)) into THF soluble products with high efficiency (78% yield, 95% +/- 5% mass balance). The decoding of this efficiency by 1D and 2D (HSQC/NOSEY) NMR, FT-IR and RAMAN studies exemplify that the -OH group(s) interact with the electron deficient BAIL cation. The mechanistic insights unraveled in this study open a plethora of opportunities to design catalysts for developing efficient processes.

1 aSingh, Sandip, K.1 aDhepe, Paresh, Laxmikant uhttps://library.ncl.res.in/content/ionic-liquids-catalyzed-lignin-liquefaction-mechanistic-studies-using-tpo-ms-ft-ir-raman-and01061nas a2200169 4500008004100000022001400041245013500055210006900190260007100259300001400330490000700344520033800351100002600689700002000715700002400735856013200759 2016 eng d a1523-706000aIr(III)-catalyzed carbenoid functionalization of benzamides: synthesis of N-methoxyisoquinolinediones and N-methoxyisoquinolinones0 aIrIIIcatalyzed carbenoid functionalization of benzamides synthes a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcJUN a2828-28310 v183 a

A mild and efficient Ir(III)-catalyzed C-H carbenoid functionalization strategy has been developed to access. N-methoxyisoquinolinediones and N-methoxyisoquinolinones. The reaction proceeds efficiently in high yield at room temperature over a broad range of substrates without requirement of any additional oxidants or a base.

1 aPhatake, Ravindra, S.1 aPatel, Pitambar1 aRamana, Chepuri, V. uhttps://library.ncl.res.in/content/iriii-catalyzed-carbenoid-functionalization-benzamides-synthesis-n-methoxyisoquinolinediones01278nas a2200169 4500008004100000022001400041245010600055210006900161260007100230300001200301490000700313520059500320100002600915700002000941700002400961856012300985 2016 eng d a1523-706000aIr(III)-catalyzed synthesis of isoquinoline N-oxides from aryloxime and alpha-diazocarbonyl compounds0 aIrIIIcatalyzed synthesis of isoquinoline Noxides from aryloxime  a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcJAN a292-2950 v183 a

An efficient Ir(III)-catalyzed C-H activation and annulations of aryloxime with a-diazocarbonyl compounds has been developed for the synthesis of substituted isoquinoline N-oxides. The reaction proceeds under mild atmospheric conditions, without any external oxidants and releases N-2 and H2O as the byproducts. In addition, synthetic applications of the N-oxide products have been established by performing further functionalization. An interesting dimeric iridacyclic complex allied through a bis-silver carboxylate bridge has been isolated that efficiently catalyzed the reaction.

1 aPhatake, Ravindra, S.1 aPatel, Pitambar1 aRamana, Chepuri, V. uhttps://library.ncl.res.in/content/iriii-catalyzed-synthesis-isoquinoline-n-oxides-aryloxime-and-alpha-diazocarbonyl-003545nas a2200313 4500008004100000022001400041245013800055210006900193260007300262300000900335490000700344520238000351653007102731653002402802653002202826653001602848653002102864653001302885100002402898700002302922700002102945700002302966700001902989700002703008700002203035700002503057700001903082856013003101 2016 eng d a1567-576900aIsolates of alpinia officinarum hance as COX-2 inhibitors: evidence from anti-inflammatory, antioxidant and molecular docking studies0 aIsolates of alpinia officinarum hance as COX2 inhibitors evidenc aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcAPR a8-170 v333 a

Background: Inflammation triggered by oxidative stress can cause various ailments, such as cancer, rheumatoid arthritis, asthma, diabetes etc. In the last few years, there has been a renewed interest in studying the antioxidant and anti-inflammatory action of plant constituents such as flavonoids and diarylheptanoids. Aim: To evaluate the antioxidant, anti-inflammatory activity and the total phenolic content of isolated compounds from Alpinia officinarum rhizomes. Furthermore, molecular docking was performed to study the binding mode of these compounds into the active site of cyclooxygenase-2 (COX -2). Methods: A. officinarum rhizomes were extracted by maceration, using methanol. This extract was further fractionated by partitioning with hexane, chloroform and ethyl acetate and these fractions on further purification resulted in isolation of five pure compounds. Characterization was carried out by using H-1 NMR, C-13 NMR and MS. They were further evaluated for antioxidant and anti-inflammatory activity using carrageenan-induced paw edema model in rats. Molecular docking study was performed using Glide module integrated in Schrodinger molecular modeling software. Results: The compounds were identified as 1,7-diphenylhept-4-en-3-one (1), 5-hydroxy-1,7-diphenyl-3-heptanone (2), 3,5,7-trihydroxyflavone (Galangin, 3), 3,5,7-trihydroxy-4'-methoxyflavone (Kaempferide, 4) and 5-hydroxy-7-(4 `'-hydroxy-3 `'-methoxyphenyl)-1-phenyl-3-heptanone (5). The compound-3 and compound-5 (10 mg/kg) showed significant (p < 0.001) antioxidant and anti-inflammatory potential. Moreover, total phenolic content was detected as 72.96 mg and 51.18 mg gallic acid equivalent respectively. All the five isolates were found to be good binders with COX-2 (average docking score -9.03). Conclusions: Galangin and 5-hydroxy-7-(4 `'-hydroxy-3 `'-methoxyphenyl)-1-phenyl-3-heptanone exhibited anti-inflammatory and in-vitro antioxidant activity which may be due to presence of phenolic content in it. The molecular docking study revealed that these compounds have affinity towards COX-2 active site which can further be explored as selective COX-2 inhibitors. The results obtained in this work justify the use of A. officinarum in the treatment of inflammatory disorders like rheumatoid arthritis and inflammatory bowel diseases. (C) 2016 Elsevier B.V. All rights reserved.

10a5-Hydroxy-7-(4 `'-hydroxy-3 `'-methoxyphenyl)-1-phenyl-3-heptanone10aAlpinia officinarum10aAnti-inflammatory10aAntioxidant10aCOX-2 inhibitors10aGalangin1 aHonmore, Varsha, S.1 aKandhare, Amit, D.1 aKadam, Parag, P.1 aKhedkar, Vijay, M.1 aSarkar, Dhiman1 aBodhankar, Subhash, L.1 aZanwar, Anand, A.1 aRojatkar, Supada, R.1 aNatu, Arun, D. uhttps://library.ncl.res.in/content/isolates-alpinia-officinarum-hance-cox-2-inhibitors-evidence-anti-inflammatory-antioxidant02579nas a2200241 4500008004100000022001400041245010700055210006900162260011000231300001400341490000700355520165400362100003002016700001902046700002202065700001802087700001702105700002602122700001602148700002002164700002102184856013202205 2016 eng d a1463-926200aIsolation and characterization of new lignin streams derived from extractive-ammonia (EA) pretreatment0 aIsolation and characterization of new lignin streams derived fro aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcAUG a4205-42150 v183 a

One of the key challenges facing lignin conversion to fuels and chemicals is related to the level of carbohydrate and ash impurities found in extracted lignin. Structural modifications of lignin may also occur as a result of biomass pretreatment and harsh lignin extraction protocols. Extractive-Ammonia (EA) is a new pretreatment technology that uses liquid ammonia to cleave lignin-carbohydrate complexes, decrystallize cellulose, solubilize lignin, and selectively extract Lignin from lignocellulosic biomass, enabling better utilization of both lignin and carbohydrate components in a biorefinery. The EA-based biorefinery produces two different lignin-rich streams, with different properties, that could potentially be upgraded to fuels and chemicals using green processes. In this work, a water/ethanol-based fractionation method was developed to enrich the ammonia-soluble extractives, resulting in a major product stream containing 92% lignin. Detailed characterization of the various streams resulting from EA treatment, including compositional analysis, structural characterization by nuclear magnetic resonance (NMR) spectrometry, elemental analysis, molecular weight analysis, and thermo-gravimetric analysis provides a broad evaluation of the EA derived lignin product stream structures and properties, assessing their potential for commercial applications. In summary, EA-derived lignins preserve much of lignin's functionality, including the sensitive (3-aryl ether units. Nitrogen incorporation was observed in the lignin-rich streams, notably due to the presence of hydroxycinnamoyl amides formed during ammonia pretreatment.

1 aSousa, Leonardo, da Costa1 aFoston, Marcus1 aBokade, Vijay, V.1 aAzarpira, Ali1 aLu, Fachuang1 aRagauskas, Arthur, J.1 aRalph, John1 aDale, Bruce, E.1 aBalan, Venkatesh uhttps://library.ncl.res.in/content/isolation-and-characterization-new-lignin-streams-derived-extractive-ammonia-ea-pretreatment01834nas a2200193 4500008004100000245012300041210006900164260000800233300001200241490000600253520113000259100002401389700002101413700001501434700002201449700002201471700002001493856012701513 2016 eng d00aIsolation and virtual screening of antimicrobial prodigiosin pigment from oxalotrophic Serratia marcescens OX_R strain0 aIsolation and virtual screening of antimicrobial prodigiosin pig cNOV a052-0580 v63 aProdigiosin a multifaceted secondary metabolite produced by Serratia spp. having great potential as a pharmaceutical. In the present study we demonstrate that oxalate supplementation in peptone glycerol production media increased organoleptic characters and yield of prodigiosin pigment extracted from oxalotrophic Serratia marcescens OX_R isolated from Indian bat guano sample. The pigment was demonstrated in-vitro as an antibacterial agent against common opportunistic skin surface pathogen Staphylococcus aureus NCIM 5021 strain as killing activity by agar well diffusion method. The docking analysis and pharmacophore modelling indicated that the probable mechanism of action of the prodigiosin was against Staphylococcus aureus DNA gyrase protein. The pigment was also found to efficiently dye both cotton and latex polymer. In summary, we describe here an oxalotrophic Serratia marcescens which may serve as a potent and economical resource of prodigiosin which owing to its dyeing and anti-bacterial activities finds future avenues to be developed as dressing material for nosocomial subjects or burn victim patients.1 aSuryavanshi, M., V.1 aWaghmode, S., R.1 aBharti, N.1 aChoudhari, P., B.1 aHingamire, T., B.1 aShouche, Y., S. uhttps://library.ncl.res.in/content/isolation-and-virtual-screening-antimicrobial-prodigiosin-pigment-oxalotrophic-serratia00588nas a2200133 4500008004100000245013800041210006900179260000800248300001400256490000800270100002200278700002900300856012500329 2016 eng d00aIsolation of lignin by organosolv process from different varieties of rice husk: Understanding their physical and chemical properties0 aIsolation of lignin by organosolv process from different varieti cSEP a310–3170 v2211 aSingh, Sandip, K.1 aDhepe, Paresh, Laxmikant uhttps://library.ncl.res.in/content/isolation-lignin-organosolv-process-different-varieties-rice-husk-understanding-their01655nas 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-dilutions01870nas a2200181 4500008004100000245010100041210006900142260000800211300001400219490000700233520122200240100002201462700001901484700002001503700002001523700001701543856012801560 2017 eng d00aIdentification and functionality prediction of pathogenesis-related protein 1 from legume family0 aIdentification and functionality prediction of pathogenesisrelat cNOV a2066-20800 v853 aThe production and accumulation of pathogenesis-related (PR) proteins in plants is one of the important responses to biotic and abiotic stress. Large number of identified PR proteins has been categorized into 17 functional families based on their structure, phylogenetics, and biological activities. However, they are not widely studied in legume crops. Using 29 PR1 proteins from Arabidopsis thaliana, as query, here we have predicted 92 candidate PR1 proteins through the PSI-BLAST and HMMER programs. These candidate proteins were comprehensively analyzed with, multiple sequence alignment, domain architecture studies, signal peptide, and motif extraction followed by phylogenetic analysis. Further, response of two candidate PR1 proteins from chickpea against Fusarium oxysporum f.sp.ciceri attack was validated using qRT-PCR followed by their 3D structure prediction. To decipher mode of action for PR1s, docking of pathogen extracellular matrix components along with fungal elicitors was performed with two chickpea PR1 proteins. Based on these findings, we propose carbohydrate to be the unique pathogen-recognition feature for PR1 proteins and beta-glucanase activity via beta-glucan binding or modification.1 aTellis, Meenakshi1 aMathur, Monika1 aGurjar, Gayatri1 aKadoo, Narendra1 aGupta, Vidya uhttps://library.ncl.res.in/content/identification-and-functionality-prediction-pathogenesis-related-protein-1-legume-family01669nas a2200217 4500008004100000245012500041210006900166260000800235300001400243490000700257520088500264100002101149700002301170700002201193700002101215700002501236700001901261700002101280700002001301856013001321 2017 eng d00aIdentification and synthesis of mycalol analogues with improved potency against anaplastic thyroid carcinonia cell lines0 aIdentification and synthesis of mycalol analogues with improved  cAPR a1125-11330 v803 aThe marine metabolite mycalol (1) has a specific inhibitory activity on cells of anaplastic thyroid carcinoma (ATC), a very aggressive and rare cancer that does not have effective conventional therapy. In this study, we describe six new related analogues (2-7) that differ in the length of the terminal alkyl residue and the presence of acetate or 3S-hydroxybutyrate (3S)-3HB as a substituent at C-19. Despite the structural' analogies, some of the new members were significantly more-cytotokic than 1 on cell lines,derivecl from human ATC. Structures inclusive of the 2'R,3R,4S,7R,8S,19R absolute configuration were asigned to 2-7 on the basis of detailed spectroscopic analysis, synthesis of different isomers, and application of ECD and Mosher's methods. This work led to the identification of mycal61-578 (3) as the most potent analogue, with an IC50 of 2.3 mu M on FRO cells:1 aCutignano, Adele1 aSeetharamsingh, B.1 aD'Angelo, Daniela1 aNuzzo, Genoveffa1 aKhairnar, Pankaj, V.1 aFusco, Alfredo1 aReddy, Srinivasa1 aFontana, Angelo uhttps://library.ncl.res.in/content/identification-and-synthesis-mycalol-analogues-improved-potency-against-anaplastic-thyroid01904nas a2200193 4500008004100000245011500041210006900156260000800225300001400233490000700247520120900254100001301463700002601476700001701502700002101519700002101540700001701561856013201578 2017 eng d00aIdentification of biomolecules involved in the biosynthesis of gold nanoparticles from living peanut seedlings0 aIdentification of biomolecules involved in the biosynthesis of g cMAR a1787-17950 v173 aIn present work, we have fabricated gold nanoparticles by treating an aqueous solution of 10(-4) M HAuCl4 with the proteins extracted from roots of in vitro raised peanut seedlings and purified them by FPLC at room temperature. These proteins which tested positive for the reduction of 10(-4) M HAuCl4 were identified as Mannose glucose binding lectin and Ara h 8 allergen isoforms by ESI MS/MS. It is a well known fact that aromatic amino acids possess delocalized pi electrons in their ring structures, rendering them as the best electron donors which can transfer electrons and reduce the acceptor. These results suggest that the aromatic amino acids present in the proteins from the peanut seedlings are the primary biomolecules involved in the reduction of Au (III) to Au (0). We isolated different protein of molecular weight 16.4, 28.3 and 30 kDa involved in the formation of nanoparticles. The protein with molecular weight 16.4 kDa (allergens) yielded NPs of 25-60 nm whereas, the proteins with molecular weight 28.3 kDa and 30 kDa (lectins) yielded highly monodispersed NPs of 5-20 nm in size. The results clearly indicate that the size of nanoparticles can be controlled by different proteins.1 aRaju, D.1 aSiddiqui, Ejaz, Ahmad1 aPrasanth, S.1 aKhan, Bashir, M.1 aMehta, Urmil, J.1 aAhmad, Absar uhttps://library.ncl.res.in/content/identification-biomolecules-involved-biosynthesis-gold-nanoparticles-living-peanut-seedlings02000nas 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-marine01732nas a2200169 4500008004100000245015600041210006900197260000800266300001600274490000600290520104100296100002201337700002701359700002401386700002201410856013001432 2017 eng d00aImpact of rare-earth metal oxide (Eu 2 O 3 ) on the electrochemical properties of a polypyrrole/CuO polymeric composite for supercapacitor applications0 aImpact of rareearth metal oxide Eu 2 O 3 on the electrochemical  cMAR a20037-200480 v73 aA ternary composite of polypyrrole/copper oxide/europium oxide (PPY/CuO/Eu2O3), synthesized via a facile in situ chemical oxidative polymerization method, exhibits the maximum specific capacitance of 320 F g⁻¹ at the current density of 1 A g⁻¹. Incorporation of the rare-earth metal oxide Eu2O3 in the PPY/CuO matrix can promote charge transportation in the resulting ternary nanocomposite by enhancing the porosity. The interconnected mesoporous networks reduce the internal resistance and the charge transfer resistance (Rct) of the composite electrode material. Moreover, the incorporation of Eu2O3 in the PPY/CuO provides support to the fragile polymer backbone resulting in an excellent cycle stability and a markedly enhanced thermal stability. These together with the exhibition of an excellent coulombic efficiency demonstrates that incorporation of rare earth metal oxide can play a significant role in improving the performance of a polymeric composite opted as an electrode material for high-performance supercapacitor.1 aMajumder, Mandira1 aChoudhary, Ram, Bilash1 aThakur, Anukul., K.1 aKarbhal, Indrapal uhttps://library.ncl.res.in/content/impact-rare-earth-metal-oxide-eu-2-o-3-electrochemical-properties-polypyrrolecuo-polymeric00462nas a2200109 4500008004100000245008500041210006900126260000800195490000800203100003200211856010900243 2017 eng d00aImpact of science, technology and innovation on the economic and political power0 aImpact of science technology and innovation on the economic and  cMAY0 v3211 aMashelkar, Raghunath, Anant uhttps://library.ncl.res.in/content/impact-science-technology-and-innovation-economic-and-political-power00558nas a2200109 4500008004100000245009500041210006900136260009100205100002000296700002000316856011200336 2017 eng d00aImplementation of QbD for development of a downstream process for a therapeutic biosimilar0 aImplementation of QbD for development of a downstream process fo aSan Francisco, CAbAMER CHEMICAL SOC, 1155 16TH ST, NW, WASHINGTON, DC 20036 USAcAPR 1 aRathore, Anurag1 aBhambure, Rahul uhttps://library.ncl.res.in/content/implementation-qbd-development-downstream-process-therapeutic-biosimilar01937nas 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-multi02818nas a2200181 4500008004100000245012700041210006900168260000800237300001400245490000600259520210700265100002802372700002802400700002502428700002502453700002602478856013202504 2017 eng d00aIn situ grown nickel nanoparticles in a calixarene nanoreactor on a graphene-MoS2 support for efficient water electrolysis0 aIn situ grown nickel nanoparticles in a calixarene nanoreactor o cAUG a1329-13380 v13 aElectrochemical production of hydrogen, facilitated in electrolysers, holds great promise for energy storage and solar fuel production. Catalysis of the oxygen evolution reaction (OER) is a bottleneck of this process. However, the sluggish OER kinetics and the utilization of precious metal catalysts are key obstacles in the broad deployment of this energy technology. We report the preparation and use of an inexpensive GrMoS(2)SC(8)Ni nanocomposite material as a highly effective OER catalyst in an alkaline electrolyte. Experimental investigations have shown that improvements can be realized in the catalytic performance of Ni metal if it is a component of the composite material. We propose an explanation for these enhancements based on a hydrogen acceptor concept. This concept comprises the stabilization of an *-OOH intermediate, which effectively lowers the potential needed for breaking bonds on the surface. Herein, an inexpensive immobilized SC8 layer was used as the nanoreactor to synthesize metallic Ni nanoparticles (NPs) through an in situ redox process. The process was applied to form immobilized NPs on flat and curved 2D surfaces. The outstanding OER performance of Ni NPs could be attributed to their large surface area, efficient mass and charge transport, and high structural stability arising from the unique SC8 cage structure, built on the GrMoS(2) substrate. The GrMoS(2)SC(8)Ni nanocomposite shows the highest activity, exhibiting a 214 mV overpotential at 10 mA cm(-2) (equivalent to 10% efficiency of solarto-fuel conversion) and a Tafel slope of 31 mV dec(-1) in 1 M KOH solution. It further demonstrates high stability as there is no apparent OER activity loss (based on a chronoamperometry test) or particle aggregation (based on SEM image observation) after a 10 h anodization test. The facile preparation method and high efficiency and durability enable this electrocatalyst to be a promising candidate for future large-scale applications in water splitting. Thus, this work opens a new avenue toward the development of highly efficient, inexpensive OER catalysts.1 aWaghmode, Babasaheb, J.1 aBhange, Siddheshwar, N.1 aUnni, SreeKuttan, M.1 aPatil, Kashinath, R.1 aMalkhede, Dipalee, D. uhttps://library.ncl.res.in/content/situ-grown-nickel-nanoparticles-calixarene-nanoreactor-graphene-mos2-support-efficient-water01583nas a2200157 4500008004100000245011200041210006900153260000800222300002700230490000600257520096100263100002001224700003001244700002401274856012701298 2017 eng d00aIncreasing light coupling in a photovoltaic film by tuning nanoparticle shape with substrate surface energy0 aIncreasing light coupling in a photovoltaic film by tuning nanop cAUG aArticle Number: 0850220 v43 aTuning metal nanoparticle (MNP) contact angle on the surface it is formed can help maximise the useful optical coupling in photovoltaic films by localized surface plasmon (LSP) resonance-opening up the possibility of building improved photovoltaic cells. In this work experimental demonstration of optical absorption increase in copper phthalocyanine (CuPc) films by tuning silver MNP shape by changing its contact angles with substrate has been reported. Thin films of poly3,4 ethylenedioxythiophene: sodium dodecycl sulphate (PEDOT: SDS) with different surface energies were formed on indium tin oxide (ITO) coated glass by electro-deposition. Silver MNPs thermally evaporated directly on ozonised ITO as well as on the PEDOT: SDS films showed contact angles ranging from 60 degrees to 125 degrees. The CuPc layer was deposited on top of the MNPs. For the samples studied, best optical absorption in the CuPc layer was for a contact angle of 110 degrees.1 aKataria, Devika1 aKrishnamoorthy, Kothandam1 aIyer, Sundar, Kumar uhttps://library.ncl.res.in/content/increasing-light-coupling-photovoltaic-film-tuning-nanoparticle-shape-substrate-surface02623nas a2200409 4500008004100000022001400041245012500055210006900180260000800249490000800257520131500265653002101580653002101601653001401622653001301636653002501649653002801674653002401702653002201726653001901748653001501767653002301782653001801805653002601823653001701849653001301866653002501879653003101904653002201935653002301957100002101980700001402001700002102015700002402036700002902060856012402089 2017 eng d a0926-337300aInfluence of carbon based supports on selectivity behavior of diols and propanol in Ru catalyzed glycerol hydrogenolysis0 aInfluence of carbon based supports on selectivity behavior of di cMAY0 v2043 a

Activated carbon (AC) and three graphite materials were studied as supports for Ru catalyzed glycerol hydrogenolysis to propanediols and 1-propanol. Structural characteristics of AC and graphite materials were found to greatly affect the reducibility and particle size of supported Ru and hence, the activity and product distribution in glycerol hydrogenolysis. XRD of graphite materials showed distinctly (002) plane having highly organized layered structure and the peak intensity decreased in the order of Ru/KS150 > Ru/HSAG100 > Ru/KS6 due to decrease in the graphite sheet thickness. In Raman, the intense D band in HSAG100 compared to that in KS6 and KS150 samples indicated its highly amorphous nature or mixed carbon hybridization. Glycerol conversion for Ru on AC was higher than that on graphite and among different graphites, it showed a descending activity order of Ru/KS6 > Ru/HSAG100 > Ru/KS150. The product distribution for AC and HSAG100 supported Ru was similar, giving 1-propanol (45%) alongwith 1,2-propanediol (1,2-PDO) (37%) and 1,3-propanediol (1,3-PDO) (9–11%). For graphite supports, availability of Ru although bigger in size (4–5 nm), would be higher on the surface than in case of AC which formed deep hydrogenolysis products like 1-, 2- propanol, ethanol etc.

10aactivated carbon10aAmorphous carbon10acatalysis10aGlycerol10aGlycerol conversions10aGlycerol hydrogenolysis10agraphite composites10aGraphite supports10aHydrogenolysis10aHydrolysis10alayered structures10aParticle size10aProduct distributions10aPropanediols10aPropanol10aSelectivity behavior10aStructural characteristics10aStructural effect10aStructural effects1 aMane, Rasika, B.1 aPatil, S.1 aShirai, Masayuki1 aRayalu, Sadhana, S.1 aRode, Chandrashekhar, V. uhttps://library.ncl.res.in/content/influence-carbon-based-supports-selectivity-behavior-diols-and-propanol-ru-catalyzed03644nas a2200145 4500008004100000245011700041210006900158260000800227490000600235520294200241653014103183100001703324700002503341856013203366 2017 eng d00aInfluence of hyperglycemic conditions on self-association of the alzheimer's amyloid beta (a beta(1-42)) peptide0 aInfluence of hyperglycemic conditions on selfassociation of the  cMAY0 v23 a
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Clinical studies have identified a correlation between type-2 diabetes mellitus and cognitive decrements en route to the onset of Alzheimer’s disease (AD). Recent studies have established that post-translational modifications of the amyloid β (Aβ) peptide occur under hyperglycemic conditions; particularly, the process of glycation exacerbates its neurotoxicity and accelerates AD progression. In view of the assertion that macromolecular crowding has an altering effect on protein self-assembly, it is crucial to characterize the effects of hyperglycemic conditions via crowding on Aβ self-assembly. Toward this purpose, fully atomistic molecular dynamics simulations were performed to study the effects of glucose crowding on Aβ dimerization, which is the smallest known neurotoxic species. The dimers formed in the glucose-crowded environment were found to have weaker associations as compared to that of those formed in water. Binding free energy calculations show that the reduced binding strength of the dimers can be mainly attributed to the overall weakening of the dispersion interactions correlated with substantial loss of interpeptide contacts in the hydrophobic patches of the Aβ units. Analysis to discern the differential solvation pattern in the glucose-crowded and pure water systems revealed that glucose molecules cluster around the protein, at a distance of 5–7 Å, which traps the water molecules in close association with the protein surface. This preferential exclusion of glucose molecules and resulting hydration of the Aβ peptides has a screening effect on the hydrophobic interactions, which in turn diminishes the binding strength of the resulting dimers. Our results imply that physical effects attributed to crowded hyperglycemic environments are incapable of solely promoting Aβ self-assembly, indicating that further mechanistic studies are required to provide insights into the self-assembly of post-translationally modified Aβ peptides, known to possess aggravated toxicity, under these conditions.

10aConformation; Drug discovery and Drug delivery systems; Free energy; Glycoproteins; Molecular association; Molecular dynamics simulation1 aMenon, Sneha1 aSengupta, Neelanjana uhttps://library.ncl.res.in/content/influence-hyperglycemic-conditions-self-association-alzheimers-amyloid-beta-beta1-42-peptide02208nas a2200169 4500008004100000245013400041210006900175260000800244300001200252490000700264520154800271100002301819700001901842700001901861700002901880856012901909 2017 eng d00aInfluence of preparation method on activity and stability of Ni catalysts supported on Gd doped ceria in dry reforming of methane0 aInfluence of preparation method on activity and stability of Ni  cJUL a357-3670 v203 aNickel catalysts supported on Gd doped ceria (NGDC), with various Ni content, were prepared through different preparation routes and evaluated for dry reforming of methane (DRM). Their detailed characterization revealed that method of preparation plays an important role in Ni dispersion, with catalysts prepared through co-precipitation showing high Ni dispersion. The co-precipitated 12NGDC-cp catalyst with 12 wt% NiO was found to be superior in terms of high CO2 and CH4 conversions compared to catalysts prepared through citrate gel or impregnation methods Even H-2 and CO yields are high on this catalyst, while it shows excellent durability with stable activity even after 100 h on-stream. Thermogravimetric analysis of spent catalyst showed presence of coke, with transmission electron microscopic studies pointing to the presence of Ni crystallites at the mouth of the carbon whiskers. These Ni crystallites appear to be still active for DRM reaction. Among the spent catalysts, the carbon formation was high on catalysts that have bigger Ni crystallites, with the catalysts prepared through impregnation and citrate gel methods having higher coke. Investigations also reveal that the conversion of active (amorphous) carbon into stable (graphitic) carbon depends on the Ni crystallite size, temperature and duration of the reaction. These studies demonstrate that Gd doped ceria is a good support for Ni, to obtain high DRM activity and very good on-stream stability provided the catalysts are prepared through an appropriate method.1 aGurav, Hanmant, R.1 aDama, Srikanth1 aSamuel, Violet1 aChilukuri, Satyanarayana uhttps://library.ncl.res.in/content/influence-preparation-method-activity-and-stability-ni-catalysts-supported-gd-doped-ceria01448nas a2200169 4500008004100000245011300041210006900154260000800223300001200231490000800243520079400251100002601045700002901071700002601100700002301126856012901149 2017 eng d00aInfluence of thermocleavable functionality on organic field-effect transistor performance of small molecules0 aInfluence of thermocleavable functionality on organic fieldeffec cJUN a139-1450 v6783 aDiketopyrrolopyrrole based donor-acceptor-donor conjugated small molecules using ethylene dioxythiophene as a donor was synthesized. Electron deficient diketopyrrolopyrrole unit was substituted with thermocleavable (tert-butyl acetate) side chains. The thermal treatment of the molecules at 160 degrees C eliminated the tert-butyl ester group results in the formation of corresponding acid. Optical and theoretical studies revealed that the molecules adopted a change in molecular arrangement after thermolysis. The conjugated small molecules possessed p-channel charge transport characteristics in organic field effect transistors. The charge carrier mobility was increased after thermolysis of tert-butyl ester group to 5.07 x 10(-5) cm(2)/Vs. (C) 2017 Elsevier B.V. All rights reserved.1 aMahale, Rajashree, Y.1 aDharmapurikar, Satej, S.1 aChini, Mrinmoy, Kumar1 aVenugopalan, Vijay uhttps://library.ncl.res.in/content/influence-thermocleavable-functionality-organic-field-effect-transistor-performance-small01377nas 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-alcohol01720nas a2200169 4500008004100000245011700041210006900158260000800227300001200235490000800247520110600255100002201361700001401383700001401397700001401411856012501425 2017 eng d00aAn innovative approach to enhance methane hydrate formation kinetics with leucine for energy storage application0 ainnovative approach to enhance methane hydrate formation kinetic cFEB a190-1990 v1883 aNatural gas storage in dathrate hydrates or solidified natural gas (SNG) offers the safest, cleanest and the most compact mode of storage aided by the relative ease in natural gas (NG) recovery with minimal cost compared to known conventional methods of NG storage. The stochastic nature of hydrate nucleation and the slow kinetics of hydrate growth are major challenges that needs to be addressed on the SNG production side. A deterministic and fast nucleation coupled with rapid crystallization kinetics would empower this beneficial technology for commercial application. We propose a hybrid combinatorial approach of methane hydrate formation utilizing the beneficial aspect of environmentally benign amino acid (leucine) as a kinetic promoter by combining stirred and unstirred reactor operation. This hybrid approach is simple, can easily be implemented and scaled-up to develop an economical SNG technology for efficient storage of natural gas on a large scale. Added benefits include the minimal energy requirement during hydrate growth resulting in overall cost reduction for SNG technology. 1 aVeluswamy, H., P.1 aKumar, A.1 aKumar, R.1 aLinga, P. uhttps://library.ncl.res.in/content/innovative-approach-enhance-methane-hydrate-formation-kinetics-leucine-energy-storage01561nas a2200169 4500008004100000020002000041022002000061245008100081210006900162260001400231300001100245520097100256100002101227700001401248700001701262856011201279 2017 eng d a978-149876758-3 a978-149876757-600aInsertion or ziegler-natta polymerization of olefins: science and technology0 aInsertion or zieglernatta polymerization of olefins science and  bCRC Press a31-1163 a

One of the most disruptive discoveries of twentieth century has been metal-catalyzed polymerization of ethylene to polyethylene by Prof. Karl Ziegler from the Max Plank Institut Fuer Kohlenforschung, Mulheim, Germany. This discovery marked the beginning of an era, which revolutionized the field of chemistry, in particular, the field of polymer chemistry in many aspects and saw an avalanche of patents and publications. Unlike typical academic discoveries, this invention did not stop at the academic labs, but led to the development of a large-scale process that produces about 180 million tons of polyolefins (annually) today. 1 But the very obvious question that comes to our mind is what prompted Prof. Ziegler to react ethylene with the two components (that we will discuss later in this chapter)? It was not an overnight realization, but instead, it was rational analysis of a serendipitous observation and systematic experimentation by Prof. Ziegler.

1 aChikkali, S., H.1 aPatel, K.1 aNetalkar, S. uhttps://library.ncl.res.in/content/insertion-or-ziegler-natta-polymerization-olefins-science-and-technology01847nas a2200145 4500008004100000245011400041210006900155260000800224300001600232490000700248520126600255100002301521700003001544856012701574 2017 eng d00aInsights in the diffusion controlled interfacial flow synthesis of Au nanostructures in a microfluidic system0 aInsights in the diffusion controlled interfacial flow synthesis  cDEC a14315-143240 v333 aContinuous segmented flow interfacial synthesis of Au nanostructures is demonstrated in a microchannel reactor. This study brings new insights into the growth of nanostructures at continuous interfaces. The size as well as the shape of the nanostructures showed significant dependence on the reactant concentrations, reaction time, temperature, and surface tension, which actually controlled the interfacial mass transfer. The microchannel reactor assisted in achieving a high interfacial area, as well as uniformity in mass transfer effects. Hexagonal nanostructures were seen to be formed in synthesis times as short as 10 min. The wettability of the channel showed significant effect on the particle size as well as the actual shape. The hydrophobic channel yielded hexagonal structures of relatively smaller size than the hydrophilic microchannel, which yielded sharp hexagonal bipyramidal particles (diagonal distance of 30 nm). The evolution of particle size and shape for the case of hydrophilic microchannel is also shown as a function of the residence time. The interfacial synthesis approach based on a stable segmented flow promoted an excellent control on the reaction extent, reduction in axial dispersion as well as the particle size distribution.1 aKulkarni, Amol, A.1 aCabeza, Victor, Sebastian uhttps://library.ncl.res.in/content/insights-diffusion-controlled-interfacial-flow-synthesis-au-nanostructures-microfluidic02553nas a2200157 4500008004100000245014400041210006900185260000800254300001400262490000700276520191700283100001802200700002602218700002102244856013002265 2017 eng d00aIntegrative machine learning strategy for improved prediction of essential genes in Escherichia coli metabolism using flux-coupled features0 aIntegrative machine learning strategy for improved prediction of cAUG a1584-15960 v133 aPrediction of essential genes helps to identify a minimal set of genes that are absolutely required for the appropriate functioning and survival of a cell. The available machine learning techniques for essential gene prediction have inherent problems, like imbalanced provision of training datasets, biased choice of the best model for a given balanced dataset, choice of a complex machine learning algorithm, and data-based automated selection of biologically relevant features for classification. Here, we propose a simple support vector machine-based learning strategy for the prediction of essential genes in Escherichia coli K-12 MG1655 metabolism that integrates a non-conventional combination of an appropriate sample balanced training set, a unique organism-specific genotype, phenotype attributes that characterize essential genes, and optimal parameters of the learning algorithm to generate the best machine learning model (the model with the highest accuracy among all the models trained for different sample training sets). For the first time, we also introduce flux-coupled metabolic subnetwork-based features for enhancing the classification performance. Our strategy proves to be superior as compared to previous SVM-based strategies in obtaining a biologically relevant classification of genes with high sensitivity and specificity. This methodology was also trained with datasets of other recent supervised classification techniques for essential gene classification and tested using reported test datasets. The testing accuracy was always high as compared to the known techniques, proving that our method outperforms known methods. Observations from our study indicate that essential genes are conserved among homologous bacterial species, demonstrate high codon usage bias, GC content and gene expression, and predominantly possess a tendency to form physiological flux modules in metabolism.1 aNandi, Sutanu1 aSubramanian, Abhishek1 aSarkar, Ram, Rup uhttps://library.ncl.res.in/content/integrative-machine-learning-strategy-improved-prediction-essential-genes-escherichia-coli02574nas a2200373 4500008004100000022001400041245014200055210006900197260000800266490000700274520138700281653001501668653001501683653002401698653001101722653001601733653002601749653001301775653001401788653001801802653002101820653001701841653002301858653002801881653002801909653001501937100002101952700001801973700002001991700002102011700001802032700001902050856013102069 2017 eng d a1350-417700aIntensification of extraction of curcumin from Curcuma amada using ultrasound assisted approach: Effect of different operating parameters0 aIntensification of extraction of curcumin from Curcuma amada usi cSEP0 v383 a

Curcumin, a dietary phytochemical, has been extracted from rhizomes of Curcuma amada using ultrasound assisted extraction (UAE) and the results compared with the conventional extraction approach to establish the process intensification benefits. The effect of operating parameters such as type of solvent, extraction time, extraction temperature, solid to solvent ratio, particle size and ultrasonic power on the extraction yield have been investigated in details for the approach UAE. The maximum extraction yield as 72% was obtained in 1 h under optimized conditions of 35 degrees C temperature, solid to solvent ratio of 1:25, particle size of 0.09 mm, ultrasonic power of 250 W and ultrasound frequency of 22 kHz with ethanol as the solvent. The obtained yield was significantly higher as compared to the batch extraction where only about 62% yield was achieved in 8 h of treatment. Peleg's model was used to describe the kinetics of UAE and the model showed a good agreement with the experimental results. Overall, ultrasound has been established to be a green process for extraction of curcumin with benefits of reduction in time as compared to batch extraction and the operating temperature as compared to Soxhlet extraction.

10aAcrylamide10aCavitation10aCurcumin Extraction10aDesign10aEnhancement10aFunctionalized Silica10akinetics10aMicrowave10aNanoparticles10aNatural-products10aOptimization10aPhenolic-compounds10aProcess Intensification10aSolid-liquid Extraction10aUltrasound1 aShirsath, S., R.1 aSable, S., S.1 aGaikwad, S., G.1 aSonawane, S., H.1 aSaini, D., R.1 aGogate, P., R. uhttps://library.ncl.res.in/content/intensification-extraction-curcumin-curcuma-amada-using-ultrasound-assisted-approach-effect01565nas a2200145 4500008004100000245011300041210006900154260000800223300001400231490000700245520100700252100001601259700002101275856012301296 2017 eng d00aInteraction energy driven biased sampling technique: a faster route to ionization spectra in condensed phase0 aInteraction energy driven biased sampling technique a faster rou cOCT a2248-22570 v383 aWe introduce a computationally efficient approach for calculating spectroscopic properties, such as ionization energies (IEs) in the condensed phase. Discrete quantum mechanical/molecular mechanical (QM/MM) approaches for spectroscopic properties in a dynamic system, such as aqueous solution, need a large sample space to obtain converged estimates, especially for the cases where particle (electron) number is not conserved, such as IEs or electron affinities (EAs). We devise a biased sampling technique based on an approximate estimate of interaction energy between the solute and solvent, that accelerates the convergence and therefore, reduces the computational cost significantly. The approximate interaction energy also provides a good measure of the spectral width of the chromophores in the condensed phase. This technique has been tested and benchmarked for (i) phenol, (ii) HBDI anion (hydroxybenzylidene dimethyl imidazolinone), and (iii) thymine in water. (c) 2017 Wiley Periodicals, Inc.1 aBose, Samik1 aGhosh, Debashree uhttps://library.ncl.res.in/content/interaction-energy-driven-biased-sampling-technique-faster-route-ionization-spectra01789nas a2200157 4500008004100000245009300041210006900134260003200203300001200235490000700247520120400254100001701458700001801475700002201493856011601515 2017 eng d00aInteraction of membrane cholesterol with GPCRs: implications in receptor oligomerization0 aInteraction of membrane cholesterol with GPCRs implications in r aNew YorkbHumana Press Inc. a415-4290 v333 a

G protein-coupled receptors (GPCRs) are the largest family of proteins involved in signal transduction across cell membranes, and represent major drug targets in all clinical areas. Oligomerization of GPCRs and its implications in drug discovery constitute an exciting area in contemporary biology. In this review, we have highlighted the role of membrane cholesterol and the actin cytoskeleton in GPCR oligomerization, using a combined approach of homo-FRET and coarse-grain molecular dynamics simulations. In the process, we have highlighted experimental and computational methods that have been successful in analyzing different facets of GPCR association. Analysis of photobleaching homo-FRET data provided novel information about the presence of receptor oligomers under varying conditions. Molecular dynamics simulations have helped to pinpoint transmembrane helices that are involved in forming the receptor dimer interface, and this appears to be dependent on membrane cholesterol content. This gives rise to the exciting and challenging possibility of age and tissue dependence of drug efficacy. We envision that GPCR oligomerization could be a game changer in future drug discovery.

1 aSengupta, D.1 aKumar, G., A.1 aChattopadhyay, A. uhttps://library.ncl.res.in/content/interaction-membrane-cholesterol-gpcrs-implications-receptor-oligomerization01940nas a2200181 4500008004100000245008500041210006900126260000800195300002800203490000800231520127700239100003201516700001401548700001901562700003101581700002801612856011801640 2017 eng d00aInterfacial-active polymer nanoparticles, their assemblies, and SERS application0 aInterfacialactive polymer nanoparticles their assemblies and SER cDEC aArticle Number: 17002610 v2183 aIn this work, surface-active polymer nanoparticles as well as polymer-polymer and polymer-metal nanoassembly particles are synthesized, and different parameters such as their size, morphologies, and assembling strength are studied. Nanoassembly particles are attractive because of the coupled properties with a large surface to volume ratio. A key challenge is to produce the core-shell polymer nanoparticles via single-step processes. To address this concern, here, microfluidics approach and precise interfacial reaction strategies are used, and hence different types of surface layered polymer nanoparticles are obtained in one-step processes. An inner core material is hydrophobic, whereas a hydrophilic surface layer (in situ formed during the polymerization process) swells in the aqueous environment. Moreover, three different reaction setups (batch, flow, and in situ) are applied in order to architect the nanoassembling hierarchical structures via layer-by-layer strategy. On the other side, polymer-metal nanoassembly particles as well as metal catalyzed metal deposited four layered nanoassembly particles of tuned size and compositions are produced. It is shown that these particles can be used as nanosensor particles for surface-enhanced Raman spectroscopy.1 aVisaveliya, Nikunjkumar, R.1 aLi, Xiang1 aKnauer, Andrea1 aPrasad, Bhagavatula, L. V.1 aKohler, Johann, Michael uhttps://library.ncl.res.in/content/interfacial-active-polymer-nanoparticles-their-assemblies-and-sers-application02883nas a2200241 4500008004100000022001400041245023400055210006900289260000800358300001600366490000600382520186700388653002502255653003002280653003002310653002402340653003002364653002802394100002802422700003902450700002702489856012502516 2017 eng d a1944-824400aInterplay between pi-bridges and positions of branched alkyl groups of unsymmetrical D-A-D-pi-A squaraines in dye-sensitized solar cells: mode of dye anchoring and the charge transfer process at the TiO2/Dye/electrolyte interface0 aInterplay between pibridges and positions of branched alkyl grou cSEP a32698-327120 v93 a

Far-red-absorbing squaraines possessing high molar absorptivity (>10(5) M-1 cm(-1)) are being attracted as high-efficiency chromophores in dye-sensitized solar cells (DSSCs). A series of donor acceptor -donor-pi spacer-acceptor (D-A-D-pi-A) unsymmetrical squaraines, PSQ1-5, with indoline donor and squaric/cyanoacetic acid acceptor units, were designed for sensitized solar cells. For extending the absorption toward the near-infrared region (NIR) and controlling the orientation on the TiO2 surface, benzene (PSQ1 and PSQ2) and thiophene (PSQ3-5) 7r-spacers and out-of-plane branched alkyl groups at the indoline that are away (PSQ1, PSQ3, and PSQS) or near (PSQ2 and PSQ4) the anchoring group, respectively, were introduced. Dynamic aggregation tendency of PSQ1 and PSQ3 than that of their isomers systematically modulates the orientation on the TiO2 surface, which in turn enhances photovoltaic performance. Absorptance on a thin transparent TiO2 film shows a visible-to-NIR response with an onset around 800 nm for PSQ3-5. Although there is resemblance in electrochemical redox levels, their high injection efficiency and recombination resistance differentiated impact on the way of anchoring and the dihedral angle between D-A-D units and g-spacers. DSSCs sensitized with PSQS achieved a PCE of 8.15% under simulated AM 1.5G illumination (100 mW cm(-2)), with the current density (j) and open-circuit voltage (Voc) of 19.73 mA cm(-2) and 630 mV, respectively. A clear comparison of the incident-photon-to-current conversion efficiency versus the light-harvesting efficiency correlates the structure-property relationship with J obtained for PSQ dyes. Electrochemical impedance spectroscopy was carried out to examine the TiO2/dye/electrolyte interface for further confirmation of the enhanced PCE of top-se-alkylated PSQS over that of other dyes.

10aD-A-D-pi-A framework10adye-sensitized solar cell10aH- and J-type aggregation10aorientation of dyes10astatic/dynamic aggregates10aunsymmetrical squaraine1 aPunitharasu, Vellimalai1 aKavungathodi, Munavvar, Fairoos Me1 aNithyanandhan, Jayaraj uhttps://library.ncl.res.in/content/interplay-between-pi-bridges-and-positions-branched-alkyl-groups-unsymmetrical-d-d-pi01171nas a2200205 4500008004100000245009300041210006900134260000800203300001400211490000700225520047500232100001900707700001800726700001700744700002200761700002500783700001700808700002000825856012000845 2017 eng d00aInterplaying anions in a supramolecular metallohydrogel to form metal organic frameworks0 aInterplaying anions in a supramolecular metallohydrogel to form  cAPR a3705-37080 v533 aThe remarkable effect of anions on the transition from supramolecular gels to crystalline phases has been described. An amino acid-based metallohydrogel was transformed into different metal-organic frameworks through the selective picking of anions. The metallohydrogel and the resulting metal-organic frameworks (MOFs) were thoroughly characterized. The results demonstrated controlled access over the binding of a particular anion to selectively form a particular MOF.1 aKarak, Suvendu1 aKumar, Sushil1 aBera, Saibal1 aDiaz, David, Diaz1 aBanerjee, Subhrashis1 aVanka, Kumar1 aBanerjee, Rahul uhttps://library.ncl.res.in/content/interplaying-anions-supramolecular-metallohydrogel-form-metal-organic-frameworks01583nas a2200277 4500008004100000022001400041245008500055210006900140260000800209300001400217490000700231520069900238653002700937653002300964653002400987653003201011653001201043653001301055653001501068653002401083653001801107100002201125700001901147700002401166856011501190 2017 eng d a0022-326300aInterrupting base-mediated benzofuran ring transformation with michael acceptors0 aInterrupting basemediated benzofuran ring transformation with mi cSEP a9816-98230 v823 a

A simple two-stage approach for the synthesis of 3-(2-arylbenzofuran-3-yl)propanoates and propanamides has been developed employing simple acrylates and acrylamides and readily available 3-aroylbenzofurans. The key step of this process involves a base-mediated ring opening of the 3-aroylbenzofurans and subsequent Michael addition of the resulting 1,3-dicarbonyl intermediate with acrylate/acrylamide, followed by the deformylation in one-pot. The resulting products undergo an acid-mediated dehydrative cyclization to arrive at these targets.

10aAcyl Benzylic Bromides10aBeta-Ketoaldehydes10aEfficient Synthesis10aOrtho-Hydroxybenzyl Ketones10aPhenols10aPosition10aPrecursors10aSur Le Benzofuranne10aTransposition1 aSrinivas, Kolluru1 aSharma, Rashmi1 aRamana, Chepuri, V. uhttps://library.ncl.res.in/content/interrupting-base-mediated-benzofuran-ring-transformation-michael-acceptors01076nas a2200169 4500008004100000245016900041210006900210260000800279300001400287490000700301520038500308100002500693700002200718700002400740700002100764856012100785 2017 eng d00aIntramolecular ipso-arylative cyclization of aryl-alkynoates and N-arylpropiolamides with aryldiazonium salts through merged gold/visible light photoredox catalysis0 aIntramolecular ipsoarylative cyclization of arylalkynoates and N cAUG a9081-90840 v533 aA visible-light-promoted merged gold/photoredox catalyzed ipsoarylative cyclization has been reported. For instance, the reaction of aryl-alkynoates and N-arylpropiolamides with aryldiazonium salts in the presence of catalytic amounts of [(4-OCH3)C6H4](3)PAuCl and Ru(bpy)(3)(PF6)(2) under irradiation using a 32WCFL bulb gave arylated spirocarbocycles in moderate to good yields.1 aBansode, Avinash, H.1 aShaikh, Samir, R.1 aGonnade, Rajesh, G.1 aPatil, Nitin, T. uhttps://library.ncl.res.in/content/intramolecular-ipso-arylative-cyclization-aryl-alkynoates-and-n-arylpropiolamides02583nas a2200145 4500008004100000245010900041210006900150260000800219300001600227490000800243520202600251100001902277700001602296856012502312 2017 eng d00aIntroducing the bipolar solvent media using the aqueous mixtures of amino acid anion-based ionic liquids0 aIntroducing the bipolar solvent media using the aqueous mixtures cDEC a11367-113750 v1213 aTo carry out a chemical reaction between the reactants with largely different polarities, it becomes important to have a reaction medium that possesses both the polar and nonpolar solvation environments. In an attempt to explore the reaction media with such unique polarity properties, the present study provides a thorough understanding of the bipolar solvent media using the aqueous mixtures of amino acid anion-based ionic liquids. The highly polar behavior of the binary mixtures used in the study has been ascribed to the pure ionic liquid state. However, the less polar solvation shells have been attributed to the presence of a neutral form of the anions. Addition of water in the amino acid anion-based ionic liquids causes the protonation of a certain fraction of the anions of the ionic liquids, resulting into the formation of a less polar nonionic protonated form along with the highly polar natural anionic form. This results into the formation of two solvation spheres with different polarities, which can be seen very clearly from the presence of two absorption bands (lower wavelength absorption band and higher wavelength absorption band) in the UV-vis absorption spectrum of Reichardt's E-T(30) dye and two emission bands (lower wavelength emission band and higher wavelength emission band) in the fluorescence emission spectrum of C481 dye. The values of the E-T(N) polarity parameter corresponding to the two solvation shells having different polarities have been calculated from the deconvoluted absorption spectra of the Reichardt's E-T(30) and were analyzed in three amino acid anion-based ionic liquids. Generation of the neutral form of anions in the aqueous mixtures formed via a protonation transfer reaction has been confirmed by the H-1 NMR spectroscopy and UV-vis absorption spectrum of 18DHAQ dye. The study also establishes that the Reichardt's E-T(30) dye can be used as a valid polarity probe to study the solvatochromic behavior of the binary mixtures of amino acid-based ionic liquids.1 aBeniwal, Vijay1 aKumar, Anil uhttps://library.ncl.res.in/content/introducing-bipolar-solvent-media-using-aqueous-mixtures-amino-acid-anion-based-ionic01150nas a2200133 4500008004100000245003600041210003600077260001400113300000900127520077600136100001900912700001700931856006800948 2017 eng d00aIntroduction to organometallics0 aIntroduction to organometallics bCRC Press a1-303 a

Polymers are gigantic macromolecules that are constructed by linking together a large number of smaller molecules called monomers through the process of polymerization. Polymer chemistry has evolved from a primitive, pragmatic discipline in the early 1920s to a well-established academic course today. The early efforts by Hermann Staudinger laid the foundation of rational polymer science and today it is nearly well understood as any other contemporary science. The fundamentals of chemistry and physics of polymers are detailed in many text books and we refer the reader to dedicated main stream polymer science books. 1 Nevertheless, the subject is forging ahead and is conquering new territories, and understanding of these new frontiers is equally important.

1 aChikkali, S.H.1 aNetalkar, S. uhttps://library.ncl.res.in/content/introduction-organometallics02587nas a2200301 4500008004100000022001400041245014900055210006900204260000800273300001200281490000800293520153000301653001301831653002901844653001401873653002901887100001801916700002201934700001401956700002001970700002001990700002702010700002602037700002902063700002402092700003002116856013902146 2017 eng d a0723-202000aInvestigation into the taxonomy of “ B. aminovorans” and its reclassification to the genus Domibacillus as Domibacillus aminovorans sp. nov.0 aInvestigation into the taxonomy of B aminovorans and its reclass cAUG a458-4670 v40 3 aThe species "Bacillus aminovorans" was categorized as species Incertae Sedis meaning taxa with uncertain taxonomic position because of insufficient description of phenotypic properties and lack of understanding of its phylogenetic relationship (Claus and Berkeley [5]). In this study two strains "B. aminovorans" DSM 1314T and DSM 4337 were phenotypically and phylogenomically analyzed. The strains are Gram-staining-positive, spore forming rods and unable to utilize/ferment most of the sugars tested except glucose. The major fatty acids are anteiso-C15:0 and iso-C15:0. The major polar lipids are diphosphatidylglycerol, phosphatidylglycerol and an aminophosphoglycolipid. The cell wall peptidoglycan is of A1γ type with meso-Dpm as the diamino acid. The menaquinone type present is MK-6. The G+C content of the genomic DNA of the type strain is 40.8mol%. These characteristics were found to be in line with description of the genus Domibacillus. Moreover phylogenetic analysis based on 16S rRNA gene sequence retrieved "B. aminovorans" within the genus Domibacillus with D. antri XD 80T as the closest relative. Additionally genome sequencing of the strains and their comparison with whole genome sequences of other Domibacillus spp. confirmed their distinctiveness and separate species status within the genus based on parameters of genome to genome distance calculator (GGDC) and average nucleotide identity (ANI) values. Therefore a novel species Domibacillus aminovorans sp. nov. (DSM 1314T =LMG 16796T) is proposed.10a16S rRNA10aDomibacillus aminovorans10aMALDI-TOF10a``Bacillus aminovorans''1 aVerma, Ashish1 aOjha, Anup, Kumar1 aPal, Yash1 aKumari, Parveen1 aSchumann, Peter1 aGruber-Vodicka, Harald1 aDastager, Syed, Gulam1 aNatarajan, Ramesh, Kumar1 aMayilraj, Shanmugam1 aKrishnamurthi, Srinivasan uhttps://library.ncl.res.in/content/investigation-taxonomy-%E2%80%9C-b-aminovorans%E2%80%9D-and-its-reclassification-genus-domibacillus02092nas a2200181 4500008004100000245013800041210006900179260000800248300001200256490000800268520138400276100002201660700002501682700002001707700002501727700002801752856013001780 2017 eng d00aInvestigation of the biocompatibility and cytotoxicity associated with ROP initiator and its role in bulk polymerization of L-lactide0 aInvestigation of the biocompatibility and cytotoxicity associate cFEB a244-2510 v1113 aPoly (L-lactide) (PLLA) is one of the most attractive polymers for use in biomedical applications. In such applications it is necessary to reduce the use of toxic chemicals and catalysts used in PLLA synthesis, to minimize any adverse effects. In view of this, we have performed ring opening polymerization (ROP) of Llactide (LA) using biocompatible initiator, namely, Zinc L-Proline (ZnP) in bulk. High molecular weight PLLA (Mw up to 1.45 x 10(5) Da) was obtained using the ZnP complex. The ZnP complex is safe, easy to prepare, store and handle. H-1 and C-13 NMR spectra of PLLA were used to determine the extent of monomer conversion and stereo sequence respectively. Differential Scanning Calorimetry (DSC) and Size Exclusion Chromatography (SEC) were used to determine thermal properties, Mn, Mw and polydispersity index respectively. The mechanism of ROP of LA in the presence of ZnP was studied using Density Functional Theory (DFf) which was in good agreement with results from H-1 NMR and Matrix-Assisted Laser Desorption/Ionization Spectrometry (MALDI-TOF). Biocompatibility/non toxicity of PLLA prepared using ZnP was studied in-vitro using MTT assay by examining the proliferation rate of mouse myoblast C2C12 cell line. Escherichia coli and Staphylococcus aureus were used for the study of antibacterial activity of PLLA. (C) 2017 Elsevier Ltd. All rights reserved.1 aParwe, Sharad, P.1 aWarkad, Shrikant, D.1 aMane, Manoj, V.1 aShedage, Pranita, S.1 aGarnaik, Baijayantimala uhttps://library.ncl.res.in/content/investigation-biocompatibility-and-cytotoxicity-associated-rop-initiator-and-its-role-bulk01481nas a2200145 4500008004100000245013800041210006900179260000800248300001400256490000900270520087900279100002601158700002101184856013001205 2017 eng d00aIonic hydrogenation-directed stereoselective construction of C-20(H) stereogenic center in steroid side chains: Scope and limitations0 aIonic hydrogenationdirected stereoselective construction of C20H cAPR a2396-24140 v73 3 aStereoselective synthesis of steroidal C-20 tertiary alcohols with n-butyl, vinyl, furyl, thienyl, thiazolyl, aryl and pyridyl side chains via Grignard reaction or organolithium reagents have been realized starting from readily available 16-dehydropregnenolone acetate. The ionic hydrogenation of steroidal C-20 tertiary alcohols having furyl, methylfuryl, thienyl, phenyl and 4-methoxyphenyl side chains, resulted into the deoxygenated product with C-20 natural configuration in excellent yields. However, the alkyl, thiazolyl and pyridyl incorporated steroidal C-20 tertiary alcohols were failed under the same reaction condition. The scope of ionic hydrogenation is further highlighted through the stereoselective reduction of steroidal C-20,21-ene compounds with furyl, thienyl and 4-methoxyphenyl side chains gave the saturated compounds with C-20 natural configuration1 aShingate, Bapurao, B.1 aHazra, Braja, G. uhttps://library.ncl.res.in/content/ionic-hydrogenation-directed-stereoselective-construction-c-20h-stereogenic-center-steroid02297nas a2200193 4500008004100000245012200041210006900163260000800232300001000240490000900250520157900259100002001838700002201858700003101880700002201911700002001933700002501953856012501978 2017 eng d00aIonic strength-dependent changes in tentacular ion exchangers with variable ligand density. II. functional properties0 aIonic strengthdependent changes in tentacular ion exchangers wit cJUL a55-640 v15063 aThe effect of ligand density was studied on protein adsorption and transport behavior in tentacular cation-exchange sorbents at different ionic strengths. Results were obtained for lysozyme, lactoferrin and a monoclonal antibody (mAb) in order to examine the effects of protein size and charge. The combination of ligand density and ionic strength results in extensive variability of the static and dynamic binding capacities, transport rate and binding affinity of the proteins. Uptake and elution experiments were performed to quantify the transport behavior of selected proteins, specifically to estimate intraparticle protein diffusivities. The observed trend of decreasing uptake diffusivities with an increase in ligand density was correlated to structural properties of the ligand-density variants, particularly the accessible porosity. Increasing the ionic strength of the equilibration buffer led to enhanced mass transfer during uptake, independent of the transport model used, and specifically for larger proteins like lactoferrin and mAb, the most significant effects were evident in the sorbent of the highest ligand density. For lysozyme, higher ligand density leads to higher static and dynamic binding capacities whereas for lactoferrin and the mAb, the binding capacity is a complex function of accessible porosity due to ionic strength-dependent changes. Ligand density has a less pronounced effect on the elution rate, presumably due to ionic strength dependent changes in the pore architecture of the sorbents. (C) 2017 Elsevier B.V. All rights reserved.1 aShambure, Rahul1 aAngelo, James, M.1 aGillespie, Christopher, M.1 aPhillips, Michael1 aGraalfs, Heiner1 aLenhoff, Abraham, M. uhttps://library.ncl.res.in/content/ionic-strength-dependent-changes-tentacular-ion-exchangers-variable-ligand-density-ii01428nas 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-931302171nas a2200193 4500008004100000245015500041210006900196260000800265300001000273490000800283520141800291100002601709700002501735700002201760700002301782700002001805700002101825856013101846 2017 eng d00aIsolation and characterization of 9-lipoxygenase and epoxide hydrolase 2 genes: insight into lactone biosynthesis in mango fruit (Mangifera indica L.)0 aIsolation and characterization of 9lipoxygenase and epoxide hydr cJUN a65-750 v1383 aUniqueness and diversity of mango flavour across various cultivars are well known. Among various flavour metabolites lactones form an important class of aroma volatiles in certain mango varieties due to their ripening specific appearance and lower odour detection threshold. In spite of their biological and biochemical importance, lactone biosynthetic pathway in plants remains elusive. Present study encompasses quantitative real-time analysis of 9-lipoxygenase (Mi9LOX), epoxide hydrolase 2 (MiEH2), peroxygenase, hydroperoxide lyase and acyl-CoA-oxidase genes during various developmental and ripening stages in fruit of Alphonso, Paid and Kent cultivars with high, low and no lactone content and explains their variable lactone content. Study also covers isolation, recombinant protein characterization and transient over-expression of Mi9LOX and MiEH2 genes in mango fruits. Recombinant Mi9LOX utilized linoleic and linolenic acids, while MiEH2 utilized aromatic and fatty acid epoxides as their respective substrates depicting their role in fatty acid metabolism. Significant increase in concentration of delta-valerolactone and gamma-decalactone upon Mi9LOX over-expression and that of delta-valerolactone, gamma-hexalactone and delta-hexalactone upon MiEH2 over-expression further suggested probable involvement of these genes in lactone biosynthesis in mango. (C) 2017 Elsevier Ltd. All rights reserved.1 aDeshpande, Ashish, B.1 aChidley, Hemangi, G.1 aOak, Pranjali, S.1 aPujari, Keshav, H.1 aGiri, Ashok, P.1 aGupta, Vidya, S. uhttps://library.ncl.res.in/content/isolation-and-characterization-9-lipoxygenase-and-epoxide-hydrolase-2-genes-insight-lactone01629nas a2200157 4500008004100000245006000041210006000101260000800161300001400169490000600183520112100189100002201310700002301332700002401355856009201379 2017 eng d00aIsomerizing hydroformylation of cashew nut shell liquid0 aIsomerizing hydroformylation of cashew nut shell liquid cOCT a3997-40040 v93 aA small library of bisphosphorus ligands was evaluated in the rhodium-catalyzed isomerizing hydroformylation (I-HF) of cashew nut shell liquid (CNSL). The rhodium complex of 1,2-bis((di-tert-butylphosphanyl)methyl)benzene (BDTBPMB; L4) outperformed the other bisphosphite and bisphosphine ligands and unveiled a moderate selectivity of 28% and 50% in the I-HF of CNSL monoene and methoxy-protected monoene, respectively. The resultant aldehyde 16-(3-methoxyphenyl)hexadecanal P1 was isolated and its identity was fully established. Application of bis-phosphine ligand L4 in the I-HF of highly challenging CNSL cardanol (S3) and methoxy-protected CNSL cardanol yielded a linear selectivity of 74%, although with reduced conversion. To demonstrate the synthetic utility of our strategy, the obtained aldehyde (derived from S3) was subjected to hydrogenation and the resultant 3-(16-hydroxyhexadecyl) phenol (P8) was isolated in 89% isolated yield. High-pressure NMR investigation revealed selective formation of a bis-equatorial BDTBPMB-rhodium complex, which might be responsible for the excellent linear selectivity.1 aPandey, Swechchha1 aShinde, Dinesh, R.1 aChikkali, Samir, H. uhttps://library.ncl.res.in/content/isomerizing-hydroformylation-cashew-nut-shell-liquid01472nas a2200217 4500008004100000245009700041210006900138260000800207300002700215490000600242520073600248100002100984700001801005700001801023700001501041700002001056700001901076700001501095700002201110856012201132 2018 eng d00aIdentification of potent chromone embedded [1,2,3]-triazoles as novel anti-tubercular agents0 aIdentification of potent chromone embedded 123triazoles as novel cAPR aArticle Number: 1717500 v53 aA series of 20 novel chromone embedded [1,2,3]-triazoles derivatives were synthesized via an easy and convenient synthetic procedure starting from 2-hydroxy acetophenone. The in vitro anti-mycobacterial evaluation studies carried out in this work reveal that seven compounds exhibit significant inhibition against Mycobacterium tuberculosis H37Rv strain with MIC in the range of 1.56-12.5 mu g ml(-1). Noticeably, compound 6s was the most potent compound in vitro with a MIC value of 1.56 mu g ml(-1). Molecular docking and chemoinformatics studies revealed that compound 6s displayed drug-like properties against the enoyl-acyl carrier protein reductase of M. tuberculosis further establishing its potential as a potent inhibitor.1 aNalla, Viswanadh1 aShaikh, Aslam1 aBapat, Sanket1 aVyas, Renu1 aKarthikeyan, M.1 aYogeeswari, P.1 aSriram, D.1 aMuthukrishnan, M. uhttps://library.ncl.res.in/content/identification-potent-chromone-embedded-123-triazoles-novel-anti-tubercular-agents01217nas a2200205 4500008004100000022001400041245007900055210006900134260000800203300001400211490000700225520052200232100002700754700002200781700002400803700002100827700002300848700003000871856011000901 2018 eng d a1359-734500aImido-P(V) trianion supported enantiopure neutral tetrahedral Pd(II) cages0 aImidoPV trianion supported enantiopure neutral tetrahedral PdII  cFEB a1873-18760 v543 a

Charge-neutral chiral hosts are attractive due to their ability to recognize a wide range of guest functionalities and support enantio-selective processes. However, reports on such charge-neutral cages are very scarce in the literature. Here, we report an enantiomeric pair of tetrahedral Pd(II) cages built from chiral tris(imido) phosphate trianions and oxalate linkers, which exhibit enantioselective separation capabilities for epichlorohydrin, beta-butyrolactone, and 3-methyl- and 3-ethyl cyclopentanone.

1 aRajasekar, Prabhakaran1 aPandey, Swechchha1 aPaithankar, Harshad1 aChugh, Jeetender1 aSteiner, Alexander1 aBoomishankar, Ramamoorthy uhttps://library.ncl.res.in/content/imido-pv-trianion-supported-enantiopure-neutral-tetrahedral-pdii-cages01580nas a2200193 4500008004100000022001400041245019600055210006900251260000800320300001400328490000700342520081000349100001901159700001601178700002201194700002301216700001701239856013001256 2018 eng d a1744-683X00aImpact of half-crown/two carbonyl:-Ca2+ metal ion interactions of a low molecular weight gelator (LMWG) on its fiber to nanosphere morphology transformation with a gel-to-sol phase transition0 aImpact of halfcrowntwo carbonylCa2 metal ion interactions of a l cJUL a5821-58310 v143 a

We report here a smart functional low molecular weight gelator (LMWG) L, containing an unusual metal ion coordination site, i.e. ``half-crown/two carbonyl''. The gelator L shows excellent gelation behavior with typical fibrillar morphology in acetonitrile, methanol and ethanol media. Upon Ca2+ ion binding with its ``half-crown/two carbonyl'' coordination site, the acetonitrile gel of L exhibits a fiber to nanosphere morphology transformation along with a gel-to-sol phase transition as confirmed by microscopic investigation and by direct naked eye visualization, respectively. The mechanism involved in this morphology transformation and gel-to-sol phase transition process was studied thoroughly with the help of computational calculations and various spectroscopic experiments and discussed.

1 aMaity, Arunava1 aDey, Ananta1 aSi, Mrinal, Kanti1 aGanguly, Bishwajit1 aDas, Amitava uhttps://library.ncl.res.in/content/impact-half-crowntwo-carbonyl-ca2-metal-ion-interactions-low-molecular-weight-gelator-lmwg00612nas a2200157 4500008004100000245006100041210006100102260007400163100001900237700003300256700001700289700002000306700002200326700001600348856009000364 2018 eng d00aImpact of stereochemistry on sharing chemical structures0 aImpact of stereochemistry on sharing chemical structures aNew Orleans, LAbACS, 1155 16TH ST, NW, Washington, DC 20036 USAcMAR1 aBanik, Gregory1 aKarthikeyan, Muthukumarasamy1 aNedwed, Karl1 aKunitsky, Keith1 aD'Souza, Michelle1 aAbshear, Ty uhttps://library.ncl.res.in/content/impact-stereochemistry-sharing-chemical-structures01805nas a2200193 4500008004100000022001400041245009300055210007100148260000900219300001600228490000600244520115600250100001401406700001801420700001501438700001701453700001301470856012801483 2018 eng d a2470-134300aImpairing powerhouse in colon cancer cells by hydrazide–hydrazone-based small molecule0 aImpairing powerhouse in colon cancer cells by hydrazide–hydrazon cFEB  a1470–14810 v33 aMitochondrion has emerged as one of the unconventional targets in next-generation cancer therapy. Hence, small molecules targeting mitochondria in cancer cells have immense potential in the next-generation anticancer therapeutics. In this report, we have synthesized a library of hydrazide–hydrazone-based small molecules and identified a novel compound that induces mitochondrial outer membrane permeabilization by inhibiting antiapoptotic B-cell CLL/lymphoma 2 (Bcl-2) family proteins followed by sequestration of proapoptotic cytochrome c. The new small molecule triggered programmed cell death (early and late apoptosis) through cell cycle arrest in the G2/M phase and caspase-9/3 cleavage in HCT-116 colon cancer cells, confirmed by an array of fluorescence confocal microscopy, cell sorting, and immunoblotting analysis. Furthermore, cell viability studies have verified that the small molecule rendered toxicity to a panel of colon cancer cells (HCT-116, DLD-1, and SW-620), keeping healthy L929 fibroblast cells unharmed. The novel small molecule has the potential to form a new understudied class of mitochondria targeting anticancer agent.1 aPatil, S.1 aKuman, M., M.1 aPalvai, S.1 aSengupta, P.1 aBasu, S. uhttps://library.ncl.res.in/content/impairing-powerhouse-colon-cancer-cells-hydrazide%E2%80%93hydrazone-based-small-molecule02374nas a2200193 4500008004100000022001400041245017000055210006900225260000800294300001400302490000800316520160800324100002501932700002101957700002901978700002402007700002602031856012302057 2018 eng d a1520-610600aImproved nonenzymatic glucose sensing properties of Pd/MnO2 nanosheets: synthesis by facile microwave-assisted route and theoretical insight from quantum simulations0 aImproved nonenzymatic glucose sensing properties of PdMnO2 nanos cAUG a7636-76460 v1223 a

The electrocatalytic properties of manganese oxide (MnO2) can be improved significantly by making hybrids/composites with noble metals (Au, Pd). Here, efforts have been made to synthesize the MnO2/Au and MnO2/Pd nanocomposites by a facile, rapid microwave irradiation method. The products characterized by X-ray diffraction and transmission electron microscopy exhibited their tetragonal phase and nanosheet morphology. The efficiency of the prepared composite materials as glucose sensor was tested by cyclic voltammetry and chronoamperometry measurements, and the results are discussed. The study revealed that successful modification of MnO2 by Pd led to excellent sensing performance by the reduction of size and the synergistic effect between MnO2 and PdO, which expedites the electron transfer. Besides, the wide detection range, good selectivity, and stability demonstrate its robustness in the design of electrochemical sensor platform. To get theoretical insight into the excellent sensing performance of MnO2/Pd, we have performed detailed density functional theory simulations to explore the charge transfer and bonding mechanism of glucose on MnO2 and Pd/Au-doped MnO2 surface. Pd is bonded strongly on MnO2 and makes MnO2/Pd more conducting due to the enhancement of density of states near Fermi level. The higher binding energy of glucose and enhanced charge transfer from glucose to Pd-doped MnO2 compared to bare MnO2 infer that Pd-doped MnO2 possess superior charge-transfer kinetics, resulting in higher glucose sensing performance, which supports our experimental observations.

1 aPonnusamy, Rajeswari1 aGangan, Abhijeet1 aChakraborty, Brahmananda1 aLate, Dattatray, J.1 aRout, Chandra, Sekhar uhttps://library.ncl.res.in/content/improved-nonenzymatic-glucose-sensing-properties-pdmno2-nanosheets-synthesis-facile01943nas a2200133 4500008004100000245015000041210006900191260000800260300000900268520137100277100001901648700001901667856012301686 2018 eng d00aImproved performance and reproducibility of perovskite solar cells by jointly tuning the hole transport layer and the perovskite layer deposition0 aImproved performance and reproducibility of perovskite solar cel cMAY a1-103 aSolution processed organometal trihalide materials spur tremendous attention due to their unprecedented performance in photovoltaic applications. However, submicron thick perovskite films are prone to morphological defects in the form of cracks, pinholes and porosity; the traits originated from their solution phase processing and subsequent crystallization. Moreover, pinholes and cracks in the thin film of spincoated Spiro-OMeTAD hole transport layer reduce the performance reliability by forming micro shorts and weaken the defense against moisture ingress to the perovskite layer. For the large scale processing of perovskite solar cell from the economically prudent solution phase processing, morphological shortcomings of both perovskite and hole transport layers need an urgent address. By selecting non-conventional lead precursor (lead acetate) and implementing anti-solvent treatment during film deposition, we able to form pinhole free and compact perovskite film. Crack free hole conducting layer is obtained by blending Spiro-OMeTAD with a conducting polymer without compromising in the solar cell performance. A detail investigation of the charge transport and charge extraction properties of the developed hole transport layers have been carried out. The developed CH3NH3PbI3 based perovskite solar cells show improved repeatability and performance.1 aSharma, Ashish1 aRath, Arup, K. uhttps://library.ncl.res.in/content/improved-performance-and-reproducibility-perovskite-solar-cells-jointly-tuning-hole01994nas a2200157 4500008004100000245012400041210006900165260000800234300001400242490000800256520136500264100002001629700002801649700002701677856013201704 2018 eng d00aImproved stability of tuberculosis drug fixed-dose combination using isoniazid-caffeic acid and vanillic acid cocrystal0 aImproved stability of tuberculosis drug fixeddose combination us cJUN a1667-16790 v1073 aThe classic fixed-dose combination (FDC) of 4 tuberculosis drugs, namely rifampicin (RIF), isoniazid (INH), pyrazinamide (PZA), and ethambutol dihydrochloride (EDH) has the twin issues of physical stability and RIF cross-reaction in the 4-FDC. The major reason for these quality issues is the interaction between RIF and INH to yield isonicotinyl hydrazone in drug tablets. Pharmaceutical cocrystals of INH with caffeic acid (CFA) (PZA + EDH + RIF + INH-CFA cocrystal) and vanillic acid (VLA) (PZA + EDH + RIF + INH-VLA cocrystal) are able to stabilize the FDC formulation compared with the reference batch (PZA + EDH + RIF + INH). Stability studies under accelerated humidity and temperature stress conditions of 40°C and 75% relative humidity showed that the physical stability of the cocrystal formulation was superior by powder X-ray diffraction and scanning electron microscopy analysis, and chemical purity was analyzed by high-performance liquid chromatography. Changes in the composition and structure were monitored on samples drawn at 7, 15, 22, and 30 days of storage. FDC-INH-CFA cocrystal batch exhibited greater stability compared with FDC-INH-VLA cocrystal and FDC reference drug batches. The superior stability of INH-CFA cocrystal is attributed to the presence of stronger hydrogen bonds and cyclic O−H⋯O synthon in the crystal structure.1 aBattini, Swapna1 aMannava, M., K. Chaitan1 aNangia, Ashwini, Kumar uhttps://library.ncl.res.in/content/improved-stability-tuberculosis-drug-fixed-dose-combination-using-isoniazid-caffeic-acid-and02297nas a2200217 4500008004100000022001400041245012800055210006900183260000800252300001400260490000700274520150600281100003701787700002401824700002201848700002401870700001801894700001701912700001901929856013101948 2018 eng d a0268-257500a In situ base release for pH maintenance can allow shake flasks to better mimic bioreactor performance for CHO cell culture0 aIn situ base release for pH maintenance can allow shake flasks t cOCT a2842-28500 v933 aBACKGROUNDShake flasks are widely used for evaluating mammalian cells in suspension. Lack of pH control can contribute to differences in culture performance between them and bioreactors. This study evaluates whether a previously reported in situ base releasing hydrogel (pHmH) to counter pH decrease can enable shake flask cultures to better mimic bioreactor cultures. RESULTSCompared with bioreactor culture, fed-batch cultures of a recombinant Chinese hamster ovary (CHO) cell-line in shake flasks without pHmH showed a decrease in pH to 6.6, accompanied by 40, 60 and 22% lower peak cell density, lactate accumulation, and immunoglobulin G (IgG) titer, respectively. Use of pHmH allowed shake flasks to maintain pH above 6.8 and reduced this difference to 20, 30, and 15%, respectively, thus enabling culture performance in shake flasks to better mimic the bioreactor. IgG glycosylation profiles were similar in identically fed cultures across all three platforms. Application of pHmH hydrogel during clone screening was evaluated by comparing correlation between titers for five recombinant CHO clones in bioreactors and shake flasks with and without pHmH; a higher correlation was found in shake flasks with pHmH than without. CONCLUSIONIn situ base release through hydrogel can allow identically fed fed-batch cultures in shake flasks to better mimic cell growth, lactate accumulation and IgG titers in bioreactors, without additional infrastructure. (c) 2018 Society of Chemical Industry.1 aMaralingannavar, Vishwanathgouda1 aShenoy, Bharath, R.1 aHazarika, Jahnabi1 aUnnikrishnan, Divya1 aPrabhu, Anuja1 aMaity, Sunit1 aGadgil, Mugdha uhttps://library.ncl.res.in/content/situ-base-release-ph-maintenance-can-allow-shake-flasks-better-mimic-bioreactor-performance01721nas a2200265 4500008004100000022001400041245007400055210006900129260000800198300001200206490000700218520090400225653001901129653001401148653001501162653002701177653001001204100002201214700002401236700002101260700002601281700002601307700002301333856009901356 2018 eng d a0935-964800aIn situ nanoparticle embedding for authentication of epoxy composites0 aIn situ nanoparticle embedding for authentication of epoxy compo cAUG a18015230 v303 a

In situ reduction of chloroauric acid inside an amine-cured epoxy matrix leads to formation of gold nanoparticles which are embedded inside the part. This phenomenon is leveraged to design an authentication system for composites wherein the particles are embedded spatially and are invisible to the naked eye. Under UV light, the particles diffract light and create an easily visible path. The particles penetrate inside the part and create a permanent, cost-effective, tamper-proof code. The advantage of this technique is that this authentication system can be built in composite parts after fabrication of the composite structure. As very small amount (nanograms) of particles are present in the part, negligible change in the thermal characteristics of the parent matrix is observed. The particles can be embedded easily in carbon fiber as well as glass fiber reinforced epoxy structures.

10aauthentication10abarcoding10acomposites10aembedded nanoparticles10aEpoxy1 aPansare, Amol, V.1 aKhairkar, Shyam, R.1 aShedge, Amol, A.1 aChhatre, Shraddha, Y.1 aPatil, Vishwanath, R.1 aNagarkar, Amit, A. uhttps://library.ncl.res.in/content/situ-nanoparticle-embedding-authentication-epoxy-composites01679nas 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-photocatalyst01597nas a2200193 4500008004100000022001400041245011800055210006900173260000800242300001200250490000700262520088300269100002301152700002701175700002301202700002601225700002501251856012701276 2018 eng d a0887-062400aIn situ synthesis of nitrogen- and sulfur-enriched hierarchical porous carbon for high-performance supercapacitor0 aIn situ synthesis of nitrogen and sulfurenriched hierarchical po cJAN a908-9150 v323 a

In this work, we present a simple and facile method for the nitrogen (N)- and sulfur (S)- doped porous three-dimensional (3D) spongelike carbon materials via direct pyrolysis of N and S containing polymer N,N'-methylene-bis-acrylamide cross-linked poly(acrylamide-co-2-acrylamido-2-methyl-1-propanesulfonic acid) at varying temperatures under inert atmosphere. The obtained nitrogen- and sulfur-doped porous carbons (NSPCs) possess 3D hierarchical porous structure and contain a significantly high amount of N and S species. The concurrent incorporation of N and S successfully modified the surface properties of carbon materials and lead to enhanced capacitive performance. The presented NSPC exhibits specific capacitance of 230 F g(-1) at a current density of 1 A g(-1) and showed excellent cycling stability, depicting a promising material for energy storage devices.

1 aMehare, Rupali, S.1 aRanganath, Suresha, P.1 aChaturvedi, Vikash1 aBadiger, Manohar., V.1 aShelke, Manjusha, V. uhttps://library.ncl.res.in/content/situ-synthesis-nitrogen-and-sulfur-enriched-hierarchical-porous-carbon-high-performance02110nas a2200157 4500008004100000020002200041245005800063210005800121260002700179300001200206490000600218520160800224100002201832700001901854856007901873 2018 eng d a978-3-319-78282-900aIn vitro approaches for the improvement of eucalyptus0 aIn vitro approaches for the improvement of eucalyptus aSwitzerlandbSpringer  a159-2140 v13 a

Eucalyptus is an economically important hardwood tree. The ever-increasing demand for Eucalyptus wood for industrial uses has necessitated better and faster methods of propagation of genetically superior trees with better qualities. Micropropagation has been considered as a potential method for the mass propagation of mature, difficult-to-propagate/difficult-to-root trees and natural hybrids resulting in the production of quality propagules for plantation forestry, afforestation programmes, etc. In vitro culture of Eucalyptus dates back to the 1960s with successful culture of juvenile tissue and eventually with mature tree-derived explants in the last few decades. Although mass propagation through axillary meristem proliferation has witnessed the success, the full potential of organogenesis and somatic embryogenesis is yet to be realized. These modes will have the wider application like cryopreservation, synseed development, somaclonal variation and genetic transformation. Clonal propagation of Eucalyptus is a commercial reality being practiced for large-scale multiplication of identified, superior clones and their field planting. The great potential of micropropagation for large-scale plant multiplication can be tapped by cutting down the cost of production per plant by reducing the unit cost of micropropagule and plant production without compromising the quality. With the ever increased rate in which the forest cover is getting disappeared from the earth, it is an urgent call to restore at least a few percentage of the lost plantation to avoid severe climatic changes.

1 aKendurkar, S., V.1 aRangaswamy, M. uhttps://library.ncl.res.in/content/vitro-approaches-improvement-eucalyptus02050nas 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-cardiotonic02261nas a2200181 4500008004100000022001400041245014200055210006900197300001400266490000800280520154500288100002101833700002401854700002401878700002201902700002701924856012801951 2018 eng d a1043-180200aIn vivo examination of folic acid-conjugated gold-silica nanohybrids as contrast agents for localized tumor diagnosis and biodistribution0 aIn vivo examination of folic acidconjugated goldsilica nanohybri a4012-40190 v 293 aEnhanced biocompatibility of nanosized contrast agent with high radiodensity and specific biodistribution is an important parameter for localized tumor imaging and organ safety. Various nanoparticles, especially gold nanorods (GNRs), have been applied for tumor diagnosis. However, their toxicity, nonspecific biodistribution, and easy aggregation are critical issues in cancer medicine. To avoid these issues, encapsulation of the GNRs in the core of nanoscopic mesoporous silica (MS) under ambient conditions, yielding multifunctional nanomaterials for cancer nanomedicine, is a recent and active development. Interestingly, GNR embedded MS nanohybrid (GNR-MS), though a promising material in nanomedicine, is rarely examined for tumor diagnosis, in vivo toxicity, organ safety, contrast ability, and excretion. Herein, we report a systematic in vivo examination of folic acid functionalized GNR-MS (GNR-MS-FA) for localized 4T1 breast tumor diagnosis, organ safety, and excretion using a one-time dose administration. The nanomaterials show good aqueous dispersibility, biocompatibility, high radiodensity, and tumor specific targeting ability (in vitro as well as in vivo). The in vivo tumor diagnosis and specific biodistribution of injected nanomaterials clearly demonstrates their potential for the visualization of tumors deep in the body of mice. In addition, all organs including the healthy glomerulus of the kidney are observed to be free of tissue injuries thereby indicating the superior biocompatibility of the nanomaterials.1 aPrasad, Rajendra1 aAgawane, Sachin, B.1 aChauhan, Deepak, S.1 aSrivastava, Rohit1 aSelvaraj, Kaliaperumal uhttps://library.ncl.res.in/content/vivo-examination-folic-acid-conjugated-gold-silica-nanohybrids-contrast-agents-localized11308nas a2200133 45000080041000000220014000412450130000552100069001852600008002544900017002625201075100279100002011030856012411050 2018 eng d a1097-462800aIncorporation of carbon nanofibers into a matrimid polymer matrix: effects on the gas permeability and selectivity properties0 aIncorporation of carbon nanofibers into a matrimid polymer matri cMAR0 vVolume 135, 3 a

Composite membranes containing carbon nanofibers (CNFs) and Matrimid were prepared by a solution-casting method. Prepared Matrimid–CNF composite membranes were characterized with X-ray diffraction, thermogravimetric analysis, differential scanning calorimetry, Fourier transform infrared spectroscopy, scanning electron microscopy, transmission electron microscopy, and mechanical testing techniques. The mechanical properties of the composite membranes increased over that of the pristine polymeric membranes. To develop a broad fundamental understanding of the connection between the composite architecture and gas-transport properties, both the gas-permeability and gas-separation characteristics were evaluated. The gas-transport properties of the Matrimid–CNF composite membrane was measured with a single gas-permeation setup (He, H2, N2, CH4 and CO2) at ambient temperature with the variable-volume method. The incorporation of CNFs (0.5–10 wt %) into the Matrimid matrix resulted in approximately a 22% reduction in the gas permeation of various gases, (H2, He, CO2, N2, and CH4). Moreover, an improvement of 1.5 times in the gas selectivity was observed for CO2/CH4, H2/CH4, He/CH4, and H2/N2 compared to pristine polymeric membrane. Hence, such polymer–CNF composite membranes could be suitable for gas-separation applications with high purity requirements. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018135, 46019.

1 aDohade, Manisha uhttps://library.ncl.res.in/content/incorporation-carbon-nanofibers-matrimid-polymer-matrix-effects-gas-permeability-and02198nas a2200169 4500008004100000022001500041245016400056210006900220260000800289300001600297490000700313520149400320100001801814700003901832700002701871856013001898 2018 eng d a 0947-653900aIndenoquinaldine-based unsymmetrical squaraine dyes for near-infrared absorption: investigating the steric and electronic effects in dye-sensitized solar cells0 aIndenoquinaldinebased unsymmetrical squaraine dyes for nearinfra cNOV a16368-163780 v243 aA series of near-infrared (NIR)-responsive unsymmetrical squaraine dyes (ISQ1-3) incorporating a fused indenoquinaldine-based donor have been designed and synthesized. C-12 alkyl chains were incorporated at the sp(3)-hybridized carbon center of the indene unit of the indenoquinaldine in an out-of-plane orientation to control dye aggregation on the surface of titanium dioxide, and indole (ISQ1), benzo[e]indole (ISQ2), and quinoline (ISQ3) moieties were included as the donor component bearing the anchoring carboxy group to extend the absorption in the NIR region and to systematically study the effect of the electronic modification on the performance of dye-sensitized solar cells (DSSC). All the dyes exhibit intense absorption (epsilon >= 10(5) m(-1) cm(-1)) in the NIR region, and the dye-adsorbed TiO2 films exhibit broad panchromatic absorption. The incident photon-to-current efficiency (IPCE) spectrum of the ISQ3-based DSSC device displays a panchromatic IPCE response up to 880 nm. Additionally, the ISQ3-sensitized device provides the best efficiency of 4.15% with a short circuit current density (J(SC)) of 10.02 mA cm(-2), open-circuit voltage (V-OC) of 0.58V, and fill factor (ff) of 72% in the presence of 10 equivalents of 3 alpha,7 alpha-dihydroxy-5 beta-cholanic acid (CDCA). Electrochemical impedance spectroscopy analysis showed attenuated charge recombination in the ISQ3-sensitized DSSC, which contributes to its higher value of V-OC compared with the other dyes.1 aBisht, Rajesh1 aKavungathodi, Munavvar, Fairoos Me1 aNithyanandhan, Jayaraj uhttps://library.ncl.res.in/content/indenoquinaldine-based-unsymmetrical-squaraine-dyes-near-infrared-absorption-investigating01778nas a2200157 4500008004100000022001500041245013800056210006900194260000800263300001200271490000800283520116900291100001701460700001701477856012601494 2018 eng d a 0927-775700aInfluence of chain length of long-chain fatty acid surfactant on the thermal conductivity of magnetite nanofluids in a magnetic field0 aInfluence of chain length of longchain fatty acid surfactant on  cOCT a525-5310 v5553 a

Stable magnetic nanofluids are prepared by dispersing long-chain fatty acid surfactants coated magnetite (Fe3O4) nanoparticles in toluene and investigated the effect of chain length of the surfactant molecules on the thermal conductivity of the magnetite nanofluids in a magnetic field. Superparamagnetic magnetite nanoparticles having a comparable particle size (similar to 10 nm) are coated with three different long-chain fatty acid surfactants; myristic acid (C13H27COOH), palmitic acid (C15H31COOH) and stearic acid (C17H35COOH). The thermal conductivity of the nanofluids, in a magnetic field, is found to decrease with increasing the chain length of the surfactant molecule. Among the three fluids, the shorter chain myristic acid coated nanofluid showed larger enhancement in the thermal conductivity at smaller fields as compared to the other fluids. The results indicated that the chain length of the surfactant molecule present on the surface of the magnetite nanoparticles affect the thermal conductivity of the magnetic nanofluid in an external magnetic field, due to the difference in the extent of interdigitation of the surfactant molecules.

1 aDadwal, Arun1 aDadwal, Arun uhttps://library.ncl.res.in/content/influence-chain-length-long-chain-fatty-acid-surfactant-thermal-conductivity-magnetite02473nas a2200193 4500008004100000245014300041210006900184260000800253300001200261490000600273520172200279100002702001700002602028700002102054700003302075700002402108700002102132856012602153 2018 eng d00aInfluence of silver nanoparticles morphologies on density, viscosity and thermal conductivity of silver nanofluids and silver ionanofluids0 aInfluence of silver nanoparticles morphologies on density viscos cAPR a246-2570 v73 aThis paper explores the consequence of silver nanoparticles morphology (nanowires, nanoplates, and nanospheres) on density, viscosity and thermal conductivity of nanofluids and IoNanoFluids. Nuclear magnetic resonance spectroscopy results reveal that hydroxyl group in cation relates to silver nanoparticle surface of silver IoNanoFluid. Effect on bonding of silver nanoparticles after solvation in an ionic liquid was investigated with Infrared spectroscopy. UV-Visible spectroscopy analysis observed variations in color and optical properties of silver IoNanoFluids compared with nanofluids. Structural and morphological characterization of silver nanofluids and silver IoNanoFluids were carried out with Scanning electron microscopy and Transmission electron microscopy techniques. The presence of silver nanoparticles from the aqueous phase of nanofluids to viscous ionic liquid phase was confirmed by X-ray photoelectron spectroscopy and Energy dispersive analysis. The thermal stability study unveils that Choline bis(trifluromethylsulfonyl)imide ionic liquid, and its derived silver IoNanoFluids, are more stable than silver nanofluids. There was no considerable impact was observed for the silver nanoparticles morphology on the density of IoNanofluids. Moreover, two-dimensional silver structures raise the viscosity further compare to other two morphologies of silver nanoparticles in a base ionic liquid. Among all three studied morphologies, silver nanowires influence additional in the enhancement of thermal conductivity for silver nanofluids and IoNanoFluids. Enhanced thermal conductivity and reduced viscosity of silver nanowires based IoNanoFluid sorts this fluid as a potential heat transfer fluid.1 aPatil, Virendra, Sudam1 aAndry, Cera-Manjarres1 aSalavera, Daniel1 aRode, Chandrashekhar, Vasant1 aPatil, Kashinath, R1 aCoronas, Alberto uhttps://library.ncl.res.in/content/influence-silver-nanoparticles-morphologies-density-viscosity-and-thermal-conductivity01305nas a2200169 4500008004100000245007900041210006900120260000800189300001000197490000800207520071400215100002300929700002700952700002500979700002401004856010701028 2018 eng d00aInositol to aromatics -benzene free synthesis of poly oxygenated aromatics0 aInositol to aromatics benzene free synthesis of poly oxygenated  cMAY a38-440 v4613 aA method for the preparation of benzene derivatives from myo-inositol, an abundantly available phyto chemical is described. 1,3-Bridged acetals of inososes undergo step-wise elimination leading to the formation of polyoxygenated benzene derivatives. This aromatization reaction proceeds through the intermediacy of a beta-alkoxyenone, which could be isolated. This sequence of reactions starting from myoinositol, provides a novel route for the preparation of polyoxygenated benzene derivatives including polyoxygenated biphenyl. This scheme of synthesis demonstrates the potential of myo-inositol as a sustainable non-petrochemical resource for aromatic compounds. (C) 2018 Elsevier Ltd. All rights reserved.1 aGurale, Bharat, P.1 aShashidhar, Mysore, S.1 aSardessai, Richa, S.1 aGonnade, Rajesh, G. uhttps://library.ncl.res.in/content/inositol-aromatics-benzene-free-synthesis-poly-oxygenated-aromatics01851nas a2200169 4500008004100000245009800041210006900139260000800208300001000216490000800226520121500234100003201449700002501481700003101506700002101537856012301558 2018 eng d00a Integrated constraints based analysis of an engineered violacein pathway in escherichia coli0 aIntegrated constraints based analysis of an engineered violacein cSEP a10-190 v1713 aStrategies towards optimal violacein biosynthesis, a potential drug molecule, need systems level coordination of enzymatic activities of individual genes in a multigene operon vioABCDE. Constraints-based flux balance analysis of an extended iAF1260 model (iAF1260vio) with a reconstructed violacein module predicted growth and violacein yields in Escherichia coli accurately. Shadow price (SP) analysis identified tryptophan metabolism and NADPH as limiting. Increased tryptophan levels in Delta pgi & Delta pheA were validated using in silico gene deletion analysis. Phenotypic phase plane (PhPP) analysis highlighted sensitivity between tryptophan and NADPH for violacein synthesis at molar growth yields. A synthetic VioABCDE operon (SYNO) sequence was designed to maximize Codon Adaptive Index (CAI: 0.9) and tune translation initiation rates (TIR: 2-50 fold higher) in E. coli. All pSYN E. coli transformants produced higher violacein, with a maximum six-fold increase in yields. The rational design E. coli: Delta pheA SYN: gave the highest violacein titers (33.8 mg/I). Such integrated approaches targeting multiple molecular hierarchies in the cell can be extended further to increase violacein yields.1 aImmanuel, Selva, Rupa Chris1 aBanerjee, Deepanwita1 aRajankar, Mayooreshwar, P.1 aRaghunathan, Anu uhttps://library.ncl.res.in/content/integrated-constraints-based-analysis-engineered-violacein-pathway-escherichia-coli01916nas a2200145 4500008004100000022001400041245015100055210006900206260000800275300001600283490000600299520130800305100001701613856014001630 2018 eng d a2470-134300aIntegrated electronic, optical, and structural features in pseudo-3D mesoporous TiO2–X delivering enhanced dye-sensitized solar cell performance0 aIntegrated electronic optical and structural features in pseudo3 cFEB a1645 - 16520 v33 aThe performance of a dye-sensitized solar cell (DSSC) is strongly affected by optical, structural, and electronic features of a photoanode. In this article, meso-TiO2–X was prepared by a solution combustion method and hydrogenation at high pressure. The properties of DSSCs with meso-TiO2–X photoanodes were investigated by photocurrent–voltage, incident photon-to-current conversion efficiency, and electrochemical impedance spectroscopy (EIS) measurements. The meso-TiO2–X materials exhibit new electronic states and aided to absorb in the visible region because of the narrow band gap. Facile charge transfer from the N719 dye to the TiO2 photoanode was assisted by low-lying mid-gap states. Electrically integrated nanoparticles, with a small-channel mesoporous framework, facilitates fast charge transport across the material. Furthermore, EIS has shown that chemical capacitance, recombination resistance, and electron lifetime were affected by hydrogenation, thus indicating an effect on the photoanode material charge dynamics of DSSCs. An η of 7.2% under AM 1.5G illumination is obtained and an improvement by 75.6% over Degussa P25 titania. This is attributed to improved light harvesting and charge collection by the meso-TiO2–X photoanode obtained via simple combustion synthesis.1 aNegi, S., S. uhttps://library.ncl.res.in/content/integrated-electronic-optical-and-structural-features-pseudo-3d-mesoporous-tio2%E2%80%93x-delivering01531nas 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-reconstructions01095nas a2200145 4500008004100000245011100041210006900152260000800221300001400229490000600243520052000249100002200769700002900791856012900820 2018 eng d00aIntegrated production of diesel fuel precursors from carbohydrates and 2-methylfuran over Sn-mont catalyst0 aIntegrated production of diesel fuel precursors from carbohydrat cAPR a4039-40460 v33 aA TfOH-catalyzed highly efficient synthesis of biologically active (E)-2-cyanoacrylamides and 3-substituted azetidine-2,4-diones has been reported with 64-94% yields under metal-free conditions. The reaction proceeds through sequential Knoevenagel condensation/stereoselective in situ monohydration of nitrile or C-N cyclization protocol in one-pot. The attractive features of this tandem process are moderate reaction conditions, high atom economy, broad substrate scope, gram-scale reaction and ease of operation.1 aShinde, Suhas, H.1 aRode, Chandrashekhar, V. uhttps://library.ncl.res.in/content/integrated-production-diesel-fuel-precursors-carbohydrates-and-2-methylfuran-over-sn-mont02197nas a2200229 4500008004100000245018300041210006900224260000800293300001400301490000700315520133000322100002801652700002001680700002201700700002001722700002301742700001301765700001801778700002101796700002001817856013001837 2018 eng d00aIntegrated transcriptomic and proteomic analyses suggest the participation of endogenous protease inhibitors in the regulation of protease gene expression in helicoverpa armigera0 aIntegrated transcriptomic and proteomic analyses suggest the par cJUL a1324-13360 v173 aInsects adapt to plant protease inhibitors (PIs) present in their diet by differentially regulating multiple digestive proteases. However, mechanisms regulating protease gene expression in insects are largely enigmatic. Ingestion of multi-domain recombinant Capsicum annuum protease inhibitor-7 (CanPI-7) arrests growth and development of Helicoverpa armigera (Lepidoptera: Noctuidae). Using de novo RNA sequencing and proteomic analysis, we examined the response of H. armigera larvae fed on recombinant CanPI-7 at different time intervals. Here, we present evidence supporting a dynamic transition in H. armigera protease expression on CanPI-7 feeding with general down-regulation of protease genes at early time points (0.5 to 6 h) and significant up-regulation of specific trypsin, chymotrypsin and aminopeptidase genes at later time points (12 to 48 h). Further, coexpression of H. armigera endogenous PIs with several digestive protease genes were apparent. In addition to the differential expression of endogenous H. armigera PIs, we also observed a distinct novel isoform of endogenous PI in CanPI-7 fed H. armigera larvae. Based on present and earlier studies, we propose potential mechanism of protease regulation in H. armigera and subsequent adaptation strategy to cope with anti-nutritional components of plants.1 aLomate, Purushottam, R.1 aDewangan, Veena1 aMahajan, Neha, S.1 aKumar, Yashwant1 aKulkarni, Abhijeet1 aWang, Li1 aSaxena, Smita1 aGupta, Vidya, S.1 aGiri, Ashok, P. uhttps://library.ncl.res.in/content/integrated-transcriptomic-and-proteomic-analyses-suggest-participation-endogenous-protease02198nas a2200289 4500008004100000022001400041245008700055210006900142260000800211300001400219490000800233520125800241653001401499653002301513653002501536653002001561653002801581653001001609100002901619700002501648700003001673700002001703700003101723700001701754700002101771856011601792 2018 eng d a0006-291X00aIntegrative analysis of rewired central metabolism in temozolomide resistant cells0 aIntegrative analysis of rewired central metabolism in temozolomi cJAN a2010-20160 v4953 a

An authenticated U87MG clonal glioblastoma cell line was investigated to identify a sub-population of neurospheroidal (NSP) cells within the main epithelial population (U87MG). The NSP cells sorted using Fluorescence Assisted Cell Sorting (FACS) showed varied morphology, 30% lower growth rates, 40% higher IC50 values for temozolomide drug and could differentiate into the glial cell type (NDx). Metabolite profiling using HR-LCMS identified glucose, glutamine and serine in both populations and tryptophan only in U87MG as growth limiting substrates. Glycine, alanine, glutamate and proline were secreted by U87MG, however proline and glycine were re-utilized in NSP. Exo-metabolite profiling and phenotypic microarrays identified differential metabolism of primary carbon sources glucose and derived pyruvate for U87MG; glutamine and derived glutamate metabolism in NSP. Differential mRNA abundance of AKT1, PTEN, PIK3CA controlling metabolism, drug efflux, nutrient transport and epigenetic control MDM2 are potentially critical in shaping DNA methylation effects of temozolomide. Our study provides a new insight into the combined effect of these factors leading to temozolomide resistance in NSP. (C) 2017 Elsevier Inc. All rights reserved.

10aGlutamine10aMetabolic rewiring10aMetabolite profiling10amRNA abundances10aTemozolomide resistance10aU87MG1 aImmanuel, Selva, Rupa C.1 aGhanate, Avinash, D.1 aParmar, Dharmeshkumar, S.1 aMarriage, Fiona1 aPanchagnula, Venkateswarlu1 aDay, Nap, J.1 aRaghunathan, Anu uhttps://library.ncl.res.in/content/integrative-analysis-rewired-central-metabolism-temozolomide-resistant-cells02648nas a2200217 4500008004100000245016900041210006900210260000800279300002400287490000600311520182800317100002102145700002002166700001802186700002102204700002302225700001902248700001702267700001902284856012702303 2018 eng d00aIntegrative approaches to understand the Mastery in manipulation of host cytokine networks by protozoan parasites with emphasis on Plasmodium and Leishmania species0 aIntegrative approaches to understand the Mastery in manipulation cFEB aArticle Number: 2960 v93 acDiseases by protozoan pathogens pose a significant public health concern, particularly in tropical and subtropical countries, where these are responsible for significant morbidity and mortality. Protozoan pathogens tend to establish chronic infections underscoring their competence at subversion of host immune processes, an important component of disease pathogenesis and of their virulence. Modulation of cytokine and chemokine levels, their crosstalks and downstream signaling pathways, and thereby influencing recruitment and activation of immune cells is crucial to immune evasion and subversion. Many protozoans are now known to secrete effector molecules that actively modulate host immune transcriptome and bring about alterations in host epigenome to alter cytokine levels and signaling. The complexity of multi-dimensional events during interaction of hosts and protozoan parasites ranges from microscopic molecular levels to macroscopic ecological and epidemiological levels that includes disrupting metabolic pathways, cell cycle (Toxoplasma and Theileria sp.), respiratory burst, and antigen presentation (Leishmania spp.) to manipulation of signaling hubs. This requires an integrative systems biology approach to combine the knowledge from all these levels to identify the complex mechanisms of protozoan evolution via immune escape during host-parasite coevolution. Considering the diversity of protozoan parasites, in this review, we have focused on Leishmania and Plasmodium infections. Along with the biological understanding, we further elucidate the current efforts in generating, integrating, and modeling of multi-dimensional data to explain the modulation of cytokine networks by these two protozoan parasites to achieve their persistence in host via immune escape during host-parasite coevolution.1 aMahanta, Anusree1 aGanguli, Piyali1 aBarah, Pankaj1 aSarkar, Ram, Rup1 aSarmah, Neelanjana1 aPhukan, Saurav1 aBora, Mayuri1 aBaruah, Shashi uhttps://library.ncl.res.in/content/integrative-approaches-understand-mastery-manipulation-host-cytokine-networks-protozoan01835nas a2200217 4500008004100000022001400041245005600055210005600111260000800167300001000175490000700185520121100192653001201403653003101415653001201446653001201458653001801470100002601488700002001514856008301534 2018 eng d a0959-810300aInteraction of polymers with amyloidogenic peptides0 aInteraction of polymers with amyloidogenic peptides cJAN a15-240 v673 a

With this review, the aim was to gather recent representative publications which describe the interaction of polymers with amyloidogenic peptides/proteins. When functional, these take part in for instance bacterial adhesion and biofilm formation. However, several of the peptides/proteins have been identified in various diseases. One of the current approaches to discover a cure against these relies on therapeutics which either prevent or accelerate peptide/protein aggregation and/or clear readily formed aggregates. Owing to the common interest of scientists from all disciplines to identify a cure against the diseases of public health concern, there are overwhelming numbers of publications dealing with these two approaches. Since amyloid aggregation could be regarded as a nucleated polymerization, which is an established mechanism of polymer self-assembly, we recently tackled the issue of amyloid aggregation using the theories and methods established in polymer science. In this review, we hence focus on gathering relevant and recent publications which describe the role of polymers in modulating the aggregation of amyloidogenic peptides/proteins. (c) 2017 Society of Chemical Industry

10aamyloid10aneurodegenerative diseases10aPolymer10aprotein10aSelf-assembly1 aAbraham, Jancy, Nixon1 aNardin, Corinne uhttps://library.ncl.res.in/content/interaction-polymers-amyloidogenic-peptides01542nas 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-direct01783nas a2200229 4500008004100000245009500041210006900136260000800205300001700213490000800230520100100238100001801239700001701257700002201274700001701296700002201313700002801335700001901363700002401382700002001406856012701426 2018 eng d00aInterlayer hydrogen-bonded covalent organic frameworks as high-performance supercapacitors0 aInterlayer hydrogenbonded covalent organic frameworks as highper cSEP a 10941-109450 v1403 aCovalent organic frameworks (COFs) have emerged as promising electrode materials in supercapacitors (SCs). However, their insoluble powder-like nature, poor capacitive performance in pristine form, integrated with inferior electrochemical stability is a primary concern for their long-term use in electrochemical devices. Keeping this in perspective, herein we report a redox active and hydrogen bonded COF with ultrahigh stability in conc. H2SO4 (18 M), conc. HCl (12 M) and NaOH (9 M). The as-synthesized COF fabricated as thin sheets were efficiently employed as a free-standing supercapacitor electrode material using 3 M aq. H2SO4 as an electrolyte. Moreover, the pristine COF sheet showcased outstanding areal capacitance 1600 mF cm(-2) (gravimetric 169 F g(-1)) and excellent cyclic stability (>100 000) without compromising its capacitive performance or Coulombic efficiency. Moreover, as a proof-of-concept, a solid-state supercapacitor device was also assembled and subsequently tested.1 aHalder, Arjun1 aGhosh, Meena1 aKhayum, Abdul, M.1 aBera, Saibal1 aAddicoat, Matthew1 aSasmal, Himadri, Sekhar1 aKarak, Suvendu1 aKurungot, Sreekumar1 aBanerjee, Rahul uhttps://library.ncl.res.in/content/interlayer-hydrogen-bonded-covalent-organic-frameworks-high-performance-supercapacitors02538nas a2200229 4500008004100000022001400041245014600055210006900201260000900270300001200279490000700291520170500298653002102003653002802024653001502052653001902067100002102086700001902107700002202126700002802148856013202176 2018 eng d a0887-624X00aIntrinsically microporous polyimides containing spirobisindane and phenazine units: synthesis, characterization and gas permeation properties0 aIntrinsically microporous polyimides containing spirobisindane a cAPR  a766-7750 v563 aA new diamine containing spirobisindane and phenazine units, namely, 3,3,3,3-tetramethyl-2,2,3,3-tetrahydro-1,1-spirobi[cyclopenta[b]phen azine]-7,7-diamine (TTSBIDA) was synthesized starting from commercially available 5,5,6,6-tetrahydroxy-3,3,3,3-tetramethyl-1,1-spirobisindane (TTSBI). TTSBI was oxidized to 3,3,3,3-tetramethyl-2,2,3,3-tetrahydro-1,1-spirobi[indene]-5,5,6,6-tet raone (TTSBIQ) which was subsequently condensed with 4-nitro-1,2-phenylenediamine to obtain 3,3,3,3-tetramethyl-7,7-dinitro-2,2,3,3-tetrahydro-1,1-spirobi[cyclope nta[b]phenazine] (TTSBIDN). TTSBIDN was converted into TTSBIDA by reduction of the nitro groups using hydrazine hydrate in the presence of Pd/C as the catalyst. A series of new polyimides of intrinsic microporosity (PIM-PIs) were synthesized by polycondensation of TTSBIDA with commercially available aromatic dianhydrides. PIM-PIs exhibited amorphous nature, high thermal stability (T-10>480 degrees C) and intrinsic microporosity (BET surface area=59-289 m(2)/g). The gas permeation characteristics of films of selected PIM-PIs were evaluated and they exhibited appreciable gas permeability as well as high selectivity. The CO2 and O-2 permeability of PIM-PIs were in the range 185.4-39.2 and 30.6-6.2 Barrer, respectively. Notably, polyimide derived from TTSBIDA and 4,4-(hexafluoroisopropylidene)diphthalic anhydride (PIM-PI-6FDA) exhibited high CO2 and O-2 permeability of 185.4 and 30.6 Barrer with CO2/CH4 and O-2/N-2 selectivity of 43.1 and 5.1, respectively. The data of PIM-PI-6FDA for CO2/CH4 and O-2/N-2 gas pairs were located near Robeson upper bound. (c) 2018 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2018, 56, 766-77510aGas permeability10aintrinsic microporosity10apolyimides10aspirobisindane1 aShrimant, Bharat1 aDangat, Yuvraj1 aKharul, Ulhas, K.1 aWadgaonkar, Prakash, P. uhttps://library.ncl.res.in/content/intrinsically-microporous-polyimides-containing-spirobisindane-and-phenazine-units-synthesis02242nas a2200181 4500008004100000022001400041245014200055210006900197260000800266300001400274490000700288520155800295100002201853700001901875700002201894700001701916856012701933 2018 eng d a0888-588500aInvestigating adsorptive deep desulfurization of fuels using metal-modified adsorbents and process intensification by acoustic cavitation0 aInvestigating adsorptive deep desulfurization of fuels using met cMAY a7593-76060 v583 a

The harmful impact on the environment due to SOx emissions from fuels and increasingly strict norms over the years have amplified deep-desulfurization challenges, consequently enhancing attractiveness of adsorptive separations. The present work focuses on investigating metal modifications and process intensification using acoustic cavitation for improving sulfur removal behavior and selectivity. The proof of concept was elucidated using two model adsorbents: one commercial Shirasagi TAC adsorbent and another newer adsorbent derived from Cassia fistula biomass. Single- and double-metal modifications were studied using zinc, cobalt, nickel, and copper. An attempt was made to further improve the sulfur removal using process intensification using acoustic cavitation coupled with adsorption. The removal of three refractory sulfur compounds (viz. thiophene, benzothiophene, and dibenzothiophene) was studied, and the performance was compared for both single- and double-metal modifications apart from process intensification. In the case of TAC, a high capacity for sulfur removal, up to 23 mg S/g, was obtained, especially for dibenzothiophene. Process intensification using cavitation coupled with adsorption further improved sulfur removal to the extent of 100%, and for metal-modified TAC, a capacity increase up to 38 mg S/g for dibenzothiophene was obtained. The results indicate that the combined effect of metal modification and process intensification can substantially improve the sulfur-removal efficiency of carbon adsorbents.

1 aSuryawanshi, N.B.1 aBhandari, V.M.1 aSorokhaibam, L.G.1 aRanade, V.V. uhttps://library.ncl.res.in/content/investigating-adsorptive-deep-desulfurization-fuels-using-metal-modified-adsorbents-and02524nas a2200253 4500008004100000022001400041245009000055210006900145260000800214300001400222490000700236520166400243653003001907653002901937653003401966653003602000100001802036700001902054700001802073700002502091700001902116700002602135856010902161 2018 eng d a1533-488000aInvestigation of disorder in mixed phase, sp(2)-sp(3) bonded graphene-like nanocarbon0 aInvestigation of disorder in mixed phase sp2sp3 bonded graphenel cAPR a2504-25120 v183 a

Disorder in a mixed phase, sp(2)-sp(3) bonded graphene-like nanocarbon (GNC) lattice has been extensively studied for its electronic and field emission properties. Morphological investigations are performed using scanning electron microscopy (SEM) which depicts microstructures comprising of atomically flat terraces (c-planes) with an abundance of edges (ab planes which are orthogonal to c-planes). Scanning tunneling microscopy (STM) is used to observe the atomic structure of basal planes whereas field emission microscopy (FEM) is found to be suitable for resolving nanotopography of edges. STM images revealed the hexagonal and non-hexagonal atomic arrangements in addition to a variety of defect structures. Scanning tunneling spectroscopy is carried out to study the effect of this short-range disorder on the local density of states. Current versus voltage (I-V) characteristics have been recorded at different defect sites and are compared with respect to the extent of the defect. As sharp edges of GNC are expected to be excellent field emitters, because of low work function and high electric field, enhancement in current is observed particularly when applied electric field is along basal planes. Therefore, it is worthwhile to investigate field emission from these samples. The FEM images show a cluster of bright spots at low voltages which later transformed into an array resembling ledges of ab-planes with increasing voltage. Reproducible I-V curves yield linear Fowler-Nordheim plots supporting field emission as the dominant mechanism of electron emission. Turn on field for 10 mu A current is estimated to be similar to 3 V/mu m.

10aField emission microscopy10aGraphene-Like Nanocarbon10aScanning tunneling microscopy10aScanning Tunneling Spectroscopy1 aPatil, Sumati1 aKolekar, Sadhu1 aKumar, Arvind1 aAlegaonkar, Prashant1 aDatar, Suwarna1 aDharmadhikari, C., V. uhttps://library.ncl.res.in/content/investigation-disorder-mixed-phase-sp2-sp3-bonded-graphene-nanocarbon02661nas a2200193 4500008004100000245012100041210006900162260000800231300001000239490000800249520196700257100002202224700001702246700002302263700001702286700002002303700001502323856012902338 2018 eng d00a Investigations on optical properties of ZnO decorated graphene oxide (ZnO@GO) and reduced graphene oxide (ZnO@r-GO)0 aInvestigations on optical properties of ZnO decorated graphene o cMAY a64-740 v7443 aThe present investigation is based on the production of reduced graphene oxide (r-GO) from the graphene oxide using Hummer's (GO) and improved Hummer's methods (IGO) at elaborated conditions, named as GO and IGO, respectively hereafter. In contrast to previously known techniques, the presented process does not generate toxic gas. Meanwhile, the reduction temperature can be easily controlled. This approach provides a more significant amount of hydrophilic oxidized graphene as compared to GO and IGO with the use of additional KMnO4. Thus synthesized IGO was used to produce r-GO by thermal treatment. The morphological characteristics show that the obtained samples have a wrinkled paper-like morphology with severely folded lines. However, r-GO has double layers and multilayer at the edges. All the products (GO, IGO, and r-GO) have been decorated with ZnO nanoparticles (NPs). The XRD patterns of ZnO@GO composites have confirmed the characteristic peaks of wurtzite ZnO indicating the formation of ZnO nanoparticles onto the surface of graphene. The microscopic studies confirm the random growth/decoration of ZnO NPs on the surface of GO/IGO/r-GO sheets. However, in IGO and r-GO, loading/growth of ZnO NPs are less as compared to ZnO@GO. Overall structural studies indicate the oxidation of graphite and reduction of graphene oxide into r-GO sheets and ZnO decoration. Upon UV excitations, a bright blue emission has been exhibited by the GO that originates from geminate recombination of localized e-h pairs in sp(2) clusters those primarily act as the luminescent centers. The noteworthy enhancement in the emission intensities after the incorporation of ZnO nanoparticles on the surface of GO is observed. The improved synthesis method and low-temperature reduction technique of GO may be essential for the large-scale production of r-GO as well as the construction of devices composed of ZnO@GO/IGO/r-GO. (C) 2018 Elsevier B.V. All rights reserved.1 aKumar, Pushpendra1 aSom, Sudipta1 aPandey, Mukesh, K.1 aDas, Subrata1 aChanda, Anupama1 aSingh, Jai uhttps://library.ncl.res.in/content/investigations-optical-properties-zno-decorated-graphene-oxide-znogo-and-reduced-graphene02348nas a2200169 4500008004100000245010600041210006900147260000800216300001600224490000700240520170100247100002301948700003701971700002402008700002102032856012502053 2018 eng d00aIon pairing in 1-butyl-3-methylpyridinium halide ionic liquids studied using NMR and DFT calculations0 aIon pairing in 1butyl3methylpyridinium halide ionic liquids stud cAPR a11470-114800 v203 aWe present the H-1, C-13 and N-15 NMR chemical shifts of bulk ionic liquids based on 1-butyl-3-methylimidazolium (the cation also known as 1-butyl-3-picolinium) halides (Cl-, Br- and I-) and tribromide (Br-3(-)) salts. A characterization in solution of the analogous ICl2- and I-3(-) salts is also reported. A series of DFT calculations has been run to predict the features of the NMR spectra of the pure ILs based on a few selected supramolecular ionic aggregates. To test the effect of temperature, and vibrational and conformational motions, only for the chloride salt, we also run first-principles molecular dynamics simulations of the ion pair in the gas phase, using the ADMP scheme (Atom Centered Density Matrix Propagation molecular dynamics model). The aim of our investigation is to test whether a simple DFT based approach of ion-pairing in ionic liquids is capable of providing reliable results and under which conditions the protocol is robust. We obtained a very good agreement between the calculated and experimental spectra for the three halides, where the bulk structure of the ILs is dominated by H-bond interactions between the X- anion (X = Cl, Br and I) and the ortho protons of the pyridinium ring (a structural arrangement not too different from the solid-state structure of pyridinium halides). In contrast, when the H-bond is weak, as in the Br-3(-) case, a number of supramolecular arrangements exist in solution and the simple DFT calculations of a few selected cases cannot exhaustively explore the complete energy landscape. Moreover, the dynamic effects due to thermal motion, evaluated by ADMP MD simulations of the chloride salt, appear to be not very significant.1 aSwamy, Vincent, P.1 aThulasiram, Hirekodathakallu, V.1 aRastrelli, Federico1 aSaielli, Giacomo uhttps://library.ncl.res.in/content/ion-pairing-1-butyl-3-methylpyridinium-halide-ionic-liquids-studied-using-nmr-and-dft02690nas a2200229 4500008004100000022001400041245011000055210006900165260000900234300001400243490000800257520190300265100002202168700001502190700002302205700001702228700002402245700002402269700001802293700002402311856012502335 2018 eng d a0002-786300aIron Catalyzed Hydroformylation of Alkenes under Mild Conditions: Evidence of an Fe(II) Catalyzed Process0 aIron Catalyzed Hydroformylation of Alkenes under Mild Conditions cMAR  a4430-44390 v1403 a

Earth abundant, first row transition metals offer a cheap and sustainable alternative to the rare and precious metals. However, utilization of first row metals in catalysis requires harsh reaction conditions, suffers from limited activity, and fails to tolerate functional groups. Reported here is a highly efficient iron catalyzed hydroformylation of alkenes under mild conditions. This protocol operates at 10-30 bar syngas pressure below 100 degrees C, utilizes readily available ligands, and applies to an array of olefins. Thus, the iron precursor [HFe(CO)(4)](-)[Ph3PNPPh3](+) (1) in the presence of triphenyl phosphine catalyzes the hydroformylation of 1-hexene (S2), 1-octene (S1), 1-decene (S3), 1-dodecene (S4), 1-octadecene (S5), trimethoxy(vinyl)silane (S6), trimethyl(vinyl)silane (S7), cardanol (S8), 2,3-dihydrofuran (S9), allyl malonic acid (S10), styrene (S11), 4-methylstyrene (S12), 4-iBu-styrene (S13), 4-tBu-styrene (S14), 4-methoxy styrene (S15), 4-acetoxy styrene (S16), 4-bromo styrene (S17), 4-chloro styrene (S18), 4-vinylbenzonitrile (S19), 4-vinylbenzoic acid (S20), and allyl benzene (S21) to corresponding aldehydes in good to excellent yields. Both electron donating and electron withdrawing substituents could be tolerated and excellent conversions were obtained for S11-S20. Remarkably, the addition of 1 mol % acetic acid promotes the reaction to completion within 16-24 h. Detailed mechanistic investigations revealed in situ formation of an iron-dihydride complex [H2Fe(CO)(2)(PPh3)(2)] (A) as an active catalytic species. This finding was further supported by cyclic voltammetry investigations and intermediacy of an Fe(0)-Fe(II) species was established. Combined experimental and computational investigations support the existence of an iron-dihydride as the catalyst resting state, which then follows a Fe(II) based catalytic cycle to produce aldehyde.

1 aPandey, Swechchha1 aRaj, Vipin1 aShinde, Dinesh, R.1 aVanka, Kumar1 aKashyap, Varchaswal1 aKurungot, Sreekumar1 aVinod, C., P.1 aChikkali, Samir, H. uhttps://library.ncl.res.in/content/iron-catalyzed-hydroformylation-alkenes-under-mild-conditions-evidence-feii-catalyzed01077nas a2200145 4500008004100000245013600041210006900177260000800246300001400254490000700268520048100275100002200756700002400778856012900802 2018 eng d00aIsa-NHC-catalyzed intermolecular stetter reaction of aromatic aldehydes with maleimides: an efficient access to 3-aroylsuccinimides0 aIsaNHCcatalyzed intermolecular stetter reaction of aromatic alde cAPR a2079-20840 v763 aAn intermolecular Stetter reaction of aromatic aldehydes with maleimides has been developed using thiazolylidene salt derived Isa-NHC as an efficient organocatalyst. The synthesized Stetter products "3-aroylsuccinimides" are important building blocks for the synthesis of natural products and bioactive compounds. The reaction conditions are mild, and various substituents on aromatic aldehyde and maleimide nitrogen were tolerated. (C) 2018 Elsevier Ltd. All rights reserved.1 aAhire, Milind, M.1 aMhaske, Santosh, B. uhttps://library.ncl.res.in/content/isa-nhc-catalyzed-intermolecular-stetter-reaction-aromatic-aldehydes-maleimides-efficient01293nas 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-n02056nas a2200241 4500008004100000022001400041245009200055210006900147260000800216300001600224490000800240520121300248100003801461700002601499700002901525700001801554700003301572700001801605700001501623700002401638700003001662856012201692 2019 eng d a0002-786300aImidazole-linked crystalline two-dimensional polymer with ultrahigh proton-conductivity0 aImidazolelinked crystalline twodimensional polymer with ultrahig cSEP a14950-149540 v1413 a

Proton-exchange membrane fuel cells are promising energy devices for a sustainable future due to green features, high power density, and mild operating conditions. A facile proton-conducting membrane plays a pivotal role to boost the efficiency of fuel cells, and hence focused research in this area is highly desirable. Major issues associated with the successful example of Nafion resulted in the search for alternate proton conducting materials. Even though proton carrier loaded crystalline porous organic frameworks have been used for protonconduction, the weak host-guest interactions limited their practical use. Herein, we developed a crystalline 2D-polymer composed of benzimidazole units as the integral part, prepared by the condensation of aryl acid and diamine in polyphosphoric acid medium. The imidazole linked-2D-polymer exhibits ultrahigh proton conductivity (3.2 X 10(-2) S cm(-1)) (at 95% relative humidity and 95 degrees C) in the pristine state, which is highest among the undoped porous organic frameworks so far reported. The present strategy of a crystalline proton-conducting 2D-polymer will lead to the development of new high performing crystalline solid proton conductor.

1 aRanjeesh, Kayaramkodath, Chandran1 aIlathvalappil, Rajith1 aVeer, Sairam, Dnyaneshwa1 aPeter, Joseph1 aWakchaure, Vivek, Chandrakan1 aGoudappagouda1 aRaj, Vipin1 aKurungot, Sreekumar1 aBabu, Sukumaran, Santhosh uhttps://library.ncl.res.in/content/imidazole-linked-crystalline-two-dimensional-polymer-ultrahigh-proton-conductivity03578nas a2200181 4500008004100000245012100041210006900162260000800231300001400239490000700253520288500260100002503145700000503170700003103175700002703206700003303233856013003266 2019 eng d00aImmobilization studies of Candida Antarctica lipase B on gallic acid resin-grafted magnetic iron oxide nanoparticles0 aImmobilization studies of Candida Antarctica lipase B on gallic  cMAY a3235-32440 v143 a

Purpose: Here, we present the successful preparation of a highly efficient gallic acid resin grafted with magnetic nanoparticles (MNPs) and containing a branched brush polymeric shell.

Methods: Using a convenient co-precipitation method, we prepared Fe3O4 nanoparticles stabilized by citric acid. These nanoparticles underwent further silica modification and amino functionalization followed by gallic acid functionalization on their surface. Under alkaline conditions, we used a condensation reaction that combined formaldehyde and gallic, to graft the gallic acid-formaldehyde resin on the surface. We then evaluated the polymer-grafted MNPs to assay the Candida Antarctica B lipase(Cal-B) immobilization via physical adsorption.

Conclusion: Furthermore, during optimization of parameters that defined conditions of immobilization, we found that the optimum immobilization was achieved in 15 mins Also, optimal immobilization temperature and pH were 38 degrees C and 7.5, respectively. In addition, the reusability study of immobilized lipase polymer-grafted MNPs was done by isolating the MNPs from the reaction medium using magnetic separation, which showed that grafted MNPs reached 5 cycles with 91% activity retention.

1 aSreeHarsha, Nagaraja1 a1 aAlzahrani, Abdullah, Mossa1 aAl-Dhubiab, Bandar, E.1 aVenugopala, Katharigatta, N. uhttps://library.ncl.res.in/content/immobilization-studies-candida-antarctica-lipase-b-gallic-acid-resin-grafted-magnetic-iron02347nas a2200241 4500008004100000022001400041245013800055210006900193260000800262300001200270490000700282520146200289653003301751653001801784653002301802653002501825653001601850653003801866100002001904700001501924700003401939856013201973 2019 eng d a1022-134400aImpact of plasticizer addition on molecular properties of polybutadiene rubber and its manifestations to glass transition temperature0 aImpact of plasticizer addition on molecular properties of polybu cJUL a19000030 v283 a

Effect of blending low and high T-g polymer on the structural, spatial, and temporal properties of the polybutadiene rubber are investigated using molecular dynamics simulations. It is elucidated that smaller chain length counterpart of polybutadiene (5mer-OB) acts as plasticizer for the polybutadiene rubber matrix (32mer-PB). Observed flexibility at macroscopic level by plasticizer addition is corroborated at the molecular level in the form of lower conformational rigidity and faster diffusion of polybutadiene chains in the mixtures. It is inferred that plasticizers decreases T-g of the matrix, due to cooperative influence of decreased chain packing and rigidity. Opposite effect is observed in mixtures with high T-g polymer, polystyrene. T-g of the mixtures showed substantial dependence on the type, concentration, chain length as well as miscibility of plasticizers in the matrix. However, the effect of increasing chain length is more pronounced but counter-controlled by the spatially heterogeneous distribution of the plasticizer. Clustering of polystyrene chains induced significant dynamic heterogeneity in the homogeneous polybutadiene matrix, which apparently lead to reduced plasticization effect. Addition of plasticizers in rubber induce discernible changes in the structural and dynamic properties of the rubber matrix, which manifest as the variation in glass transition and explains the real-life activity of plasticizers.

10aGlass transition temperature10aMD Simulation10aplasticizer action10apolybutadiene rubber10aPolystyrene10aspatial and dynamic heterogeneity1 aSharma, Pragati1 aRoy, Sudip1 aKarimi-Varzaneh, Hossein, Ali uhttps://library.ncl.res.in/content/impact-plasticizer-addition-molecular-properties-polybutadiene-rubber-and-its-manifestations02577nas a2200145 4500008004100000245014900041210006900190260003200259520192000291100002102211700002302232700002302255700002502278856012802303 2019 eng d00aImpedance analysis and equivalent circuit modelling of cells subjected to sinusoidal vibration test using electrochemical impedance spectroscopy0 aImpedance analysis and equivalent circuit modelling of cells sub aBengaluru, IndiabIEEEcDEC3 aElectrochemical impedance spectroscopy is a multipurpose and non-destructive characterization technique in the analysis of electrochemical power sources such as Li-ion cells. The nyquist curve obtained by EIS spectrum of the cell gives information about its overall health. Curve fitting of the EIS nyquist plots further helps in determining the Equivalent Circuit Model (ECM) for a particular cell. In this paper commercial Li-ion cells from three different chemistries; Lithium Nickel Manganese Cobalt Oxide (NMC), Lithium Cobalt Oxide (LCO) and Lithium Iron Phosphate (LFP) are subjected to sinusoidal vibration test as per testing standard mentioned in United States Advanced Battery Consortium (USABC). The EIS measurement of the test cells have been carried out before and after the vibration tests. Curve fitting is carried out on the EIS plots and ECM for the cells is obtained. The components present in ECM and their actual values are estimated from the curve fitting analysis. The magnitude of various resistances like equivalent series resistance (R s ), charge transfer resistance (R ct ) and solid electrolyte interphase resistance (R sei ) is evaluated. This technique is also used in determining the capacitances inside the cell, mainly capacitance (C sei ) due to Solid Electrolyte Interphase layer (SEI) and capacitance due to double layer (C dl ) formation at electrode surface. The resistance in the cell is found to be increased and the capacitances values are decreased after vibration test. Bode plot for the cells are analysed and the overall change in the impedance of cell due to the vibration test is investigated as well. Scanning electron microscopy technique is used on cell electrodes, after vibration test, to validate the actual damage that took place within the cell. The study reveals that the EIS can be used as a non-destructive tool to check cell health after mechanical abuse.1 aBangal, Ojas, A.1 aChaturvedi, Vikash1 aBabu, P., K. Ajeet1 aShelke, Manjusha, V. uhttps://library.ncl.res.in/content/impedance-analysis-and-equivalent-circuit-modelling-cells-subjected-sinusoidal-vibration02486nas 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-northern01649nas a2200229 4500008004100000022001400041245006600055210006600121260000800187300001200195490000800207520093000215653002501145653003001170653000901200100002101209700001701230700002501247700002301272700002601295856009801321 2019 eng d a0025-540800aImproved efficiency of DSSC using combustion synthesized TiO20 aImproved efficiency of DSSC using combustion synthesized TiO2 cJAN a222-2260 v1093 a

Combustion synthesis method is an economic, one step and an effective method for the synthesis of nanomaterials. In this work, titanium dioxide nanoparticles were synthesized by combustion method. The synthesized material was characterized by XRD, SEM and BET. Dye sensitized solar cell was fabricated using the synthesized material and its performance was compared with the solar cell fabricated using commercial TiO2. In order to evaluate the photovoltaic performance of DSSCs, photocurrent density to photovoltage (J-V) characteristic and electrochemical impedance spectroscopy (EIS) measurements were carried out. The DSSC fabricated using combustion synthesized and commercial TiO2 exhibited a power conversion efficiency of 6.11% and 6.62%, respectively. Combustion synthesized TiO2 which displayed similar efficiency to that of commercial material is least studied in the literature for solar cell applications.

10aCombustion synthesis10aDye sensitized solar cell10aTiO21 aUmale, Sanjivani1 aSudhakar, V.1 aSontakke, Sharad, M.1 aKrishnamoorthy, K.1 aPandit, Aniruddha, B. uhttps://library.ncl.res.in/content/improved-efficiency-dssc-using-combustion-synthesized-tio202145nas a2200265 4500008004100000022001400041245015500055210006900210260000800279300001400287490000700301520116100308653002601469653003001495653003501525653003501560653003301595100002601628700002001654700002201674700001801696700002201714700001801736856012501754 2019 eng d a0018-938300aIn situ study of radiation stability and associated conduction mechanisms of Nb-Doped TiO2/p-Si heterojunction diode under swift heavy ion irradiation0 aIn situ study of radiation stability and associated conduction m cMAR a1475-14810 v663 a

In situ current-voltage characteristics of Nb-doped TiO2/p-Si-based heterojunction diode have been studied under dense electronic excitations of 84-MeV Si6+ ions. The diode parameters such as ideality factor (eta), barrier height (phi(B)), reverse saturation current (J(s)), and series resistance (R-s) are found to be a strong function of ion irradiation fluence. The observed anomalies of fluence dependence of barrier height and ideality factor are explained in terms of irradiation-induced created defects complexes, modification of interface states and structural properties of Nbdoped-TiO2 (NTO) layer. Several mechanisms suchas barrier height inhomogeneity, donor defects-induced enchantment in n-NTO layer conductivity, and various current conduction mechanisms involved at different voltage ranges are discussed as a function of fluence with the help of constructed energy band diagram. Such in situ studies on n-NTO/p-Si heterojunction diode under radiation harsh environment are very appropriate for the better understanding of heterojunction interface properties and make it suitable for use in aerospace industry and nuclear reactors.

10aBarrier height tuning10an-NTO/p-Si heterojunction10aradiation stability of devices10asecondary electron irradiation10aspace-charge limited current1 aGautam, Subodh, Kumar1 aSingh, Jitendra1 aSingh, Ram, Gopal1 aGautam, Naina1 aTrivedi, Priyanka1 aSingh, Fouran uhttps://library.ncl.res.in/content/situ-study-radiation-stability-and-associated-conduction-mechanisms-nb-doped-tio2p-si02237nas 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-thionin02493nas a2200217 4500008004100000022001400041245014700055210006900202260000900271300001400280490000800294520171100302100001902013700001702032700001702049700001802066700001702084700002702101700002002128856012702148 2019 eng d a0002-786300aInducing disorder in order: hierarchically porous covalent organic framework nanostructures for rapid removal of persistent organic pollutants0 aInducing disorder in order hierarchically porous covalent organi cMAY  a7572-75810 v1413 a

The key factor responsible for fast diffusion and mass transfer through a porous material is the availability of a widely open pore interior having complete accessibility from their surface. However, because of their highly stacked nature, ordered two-dimensional (2D) materials fail to find real-world applicability, as it is difficult to take advantage of their complete structure, especially the inner cores. In this regard, three-dimensional (3D) nanostructures constructed from layered two-dimensional crystallites could prove to be advantageous. However, the real challenge is to cultivate a porous nanostructure with ordered pores where the pores are surrounded by crystalline walls. Herein, a simple yet versatile in situ gas-phase foaming technique has been employed to address these cardinal issues. The use of baking soda leads to the continuous effervescence of CO2 during the crystallization of foam, which creates ripples and fluctuations on the surface of the 2D crystallites. The induction of ordered micropores within the disordered 3D architecture synergistically renders fast diffusion of various guests through the interconnected pore network. The high-density defects in the hierarchically porous structure help in ultrafast adsorption (<10 s) of various pollutants (removal efficiency of 99%) from water, all of which would lead to significant environmental benefit. The pseudo-second-order rate constant for the BPA pollutant is 182.3 g mg(-1) min(-1), which is the highest among all the literature reports to date. The high removal efficiency (highest efficiency of 94% and average efficiency of 70%) of a persistent organic pollutant has been attended for the first time.

1 aKarak, Suvendu1 aDey, Kaushik1 aTorris, Arun1 aHalder, Arjun1 aBera, Saibal1 aKanheerampockil, Fayis1 aBanerjee, Rahul uhttps://library.ncl.res.in/content/inducing-disorder-order-hierarchically-porous-covalent-organic-framework-nanostructures03152nas a2200145 4500008004100000245009800041210006900139260000800208300001200216490000900228520260500237100001702842700002502859856012202884 2019 eng d00a Influence of crowding and surfaces on protein amyloidogenesis: A thermo-kinetic perspective 0 aInfluence of crowding and surfaces on protein amyloidogenesis A  cOCT a941-9530 v18673 a

The last few decades have irreversibly implicated protein self-assembly and aggregation leading to amyloid fibril formation in proteopathies that include several neurodegenerative diseases. Emerging studies recognize the importance of eliciting the pathways leading to protein aggregation in the context of the crowded intracellular environment rather than in conventional in vitro conditions. It is found that crowded environments can have acceleratory as well as inhibitory effects on protein aggregation, depending on the interplay of underlying factors on the crucial rate limiting steps. The aggregation mechanism and transient species formed along the pathway are further altered when they interface with natural and artificial surfaces in the cellular milieu. An increasing number of studies probe the autocatalytic nature of amyloid surfaces as well as membrane bilayer effects on amyloidogenesis. Moreover, exposure to modern nanosurfaces via nanomedicines and other sources potentially invokes beneficial or deleterious biological response that needs rigorous investigation. Mounting evidences indicate that nanoparticles can either promote or impede amyloid aggregation, spurring efforts to tune their interactions for developing effective anti-amyloid strategies. Mechanistic insights into nanoparticle mediated aggregation pathways are therefore crucial for engineering anti-amyloid nanoparticle strategies that are biocompatible and sustainable. This review is a compilation of studies that contribute to the current understanding of the altering effects of molecular crowding as well as natural and artificial surfaces on protein amyloidogenesis.

1 aMenon, Sneha1 aSengupta, Neelanjana uhttps://library.ncl.res.in/content/influence-crowding-and-surfaces-protein-amyloidogenesis-thermo-kinetic-perspective02021nas a2200241 4500008004100000022001400041245008900055210006900144260000800213300001200221490000700233520126300240653001401503653001501517653001801532653001301550100001701563700001701580700001501597700003101612700002101643856011501664 2019 eng d a1751-616100aInfluence of nanocellulose on mechanics and morphology of polyvinyl alcohol xerogels0 aInfluence of nanocellulose on mechanics and morphology of polyvi cFEB a275-2830 v903 a

Xerogels are porous networks of crosslinked polymers that are useful for biomedical applications such as drug delivery, scaffold engineering, tissue regeneration, cell culture and wound dressing. However, inferior mechanical properties curtail their applications to a considerable extent. Nanocellulose fibers and crystals are often added into the polymer matrix to improve their mechanical strength. Here, nanocellulose in the mass ratios of 7%, 13% and 18% are loaded into polyvinyl alcohol (PVA) matrix followed by thermo-morpho-mechanical characterization. With increase in nanocellulose content, thermal degradation occurs at a lower temperature. It is observed that addition of higher quantity of nanocellulose crystals leads to the formation of weak cellulose rich regions causing xerogel rupture. This is predominantly observed for xerogel loaded with 18% nanocellulose crystals. Similarly, addition of higher quantity of nanocellulose fibers increase brittleness of the xerogels causing fracture. This is predominantly observed for xerogel loaded with 18% nanocellulose fibers. Creep strain and stress relaxation is observed to decrease with addition of nanocellulose loading owing to molecular chain restriction and polymer chain immobility.

10aMechanics10aMorphology10aNanocellulose10aXerogels1 aPramanik, R.1 aGanivada, B.1 aRam, Farsa1 aShanmuganathan, Kadhiravan1 aArockiarajan, A. uhttps://library.ncl.res.in/content/influence-nanocellulose-mechanics-and-morphology-polyvinyl-alcohol-xerogels01986nas a2200157 4500008004100000245009800041210006900139260000800208300001600216490000700232520139200239100002901631700002001660700001901680856012901699 2019 eng d00aInorganic metal iodide mediated solution phase surface passivation for quantum dot solar cell0 aInorganic metal iodide mediated solution phase surface passivati cSEP a16234-162430 v303 a

The recent advancements in solution phase surface passivation of quantum dots (QDs) enable the development of production compatible QD ink for their large-area deposition, of a single coating. Surface passivation and colloidal stability of the QDs in polar solvents have been achieved using inorganic-organic hybrid halometallate ligands. The inorganic halometallate anions bind to the unsaturated metal sites of the QD surface, while the organic counter cations provide the colloidal stability and charge balance to the QDs. Organic ligands is a reason for concern though for the stability of the QD solar cells processed from solution-phase ligand exchange. Here, we report a solution-phase ligand exchange strategy using alkali metal halides as a substitution for the organic counterpart to facilitate solution-phase ligand exchange using all-inorganic halometallate ligands. Considering the limited solubility of the alkali halides in organic solvents a two-stage ligand-exchanged process has been commenced to help remove the excess ligands, preserve the electronic purity and allow the formation of highly passivated QD films from solution-phase deposition. A twofold increase in solar cell performance is shown with the help of the modified ligand exchange approach. The solar cell properties are further analysed through detailed characterizations of the QD solar cells.

1 aTulsani, Srikanth, Reddy1 aGanguly, Saptam1 aRath, Arup, K. uhttps://library.ncl.res.in/content/inorganic-metal-iodide-mediated-solution-phase-surface-passivation-quantum-dot-solar-cell01608nas 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-based01786nas a2200157 4500008004100000245006900041210006700110260000800177300001400185490000600199520128500205100001501490700002101505700001701526856008501543 2019 eng d00aInsights into the origin of life: did it begin from HCN and H2O?0 aInsights into the origin of life did it begin from HCN and H2O cSEP a1532-15400 v53 a

The seminal Urey-Miller experiments showed that molecules crucial to life such as HCN could have formed in the reducing atmosphere of the Hadean Earth and then dissolved in the oceans. Subsequent proponents of the "RNA World" hypothesis have shown aqueous HCN to be the starting point for the formation of the precursors of RNA and proteins. However, the conditions of early Earth suggest that aqueous HCN would have had to react under a significant number of constraints. Therefore, given the limiting conditions, could RNA and protein precursors still have formed from aqueous HCN? If so, what mechanistic routes would have been followed? The current computational study, with the aid of the ab initio nanoreactor (AINR), a powerful new tool in computational chemistry, addresses these crucial questions. Gratifyingly, not only do the results from the AINR approach show that aqueous HCN could indeed have been the source of RNA and protein precursors, but they also indicate that just the interaction of HCN with water would have sufficed to begin a series of reactions leading to the precursors. The current work therefore provides important missing links in the story of prebiotic chemistry and charts the road from aqueous HCN to the precursors of RNA and proteins.

1 aDas, Tamal1 aGhule, Siddharth1 aVanka, Kumar uhttps://library.ncl.res.in/content/insights-origin-life-did-it-begin-hcn-and-h2o02382nas 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-and02127nas a2200193 4500008004100000022001400041245013300055210006900188260000900257300002400266490000600290520140700296100001601703700002501719700002301744700002001767700002401787856012201811 2019 eng d a2045-232200aIntegrative omics analysis in Pandanus odorifer (Forssk.) Kuntze reveals the role of Asparagine synthetase in salinity tolerance0 aIntegrative omics analysis in Pandanus odorifer Forssk Kuntze re cJAN  aArticle Number: 9320 v93 a

Pandanus odorifer (Forssk) Kuntze grows naturally along the coastal regions and withstands salt-sprays as well as strong winds. A combination of omics approaches and enzyme activity studies was employed to comprehend the mechanistic basis of high salinity tolerance in P. odorifer. The young seedlings of P. odorifer were exposed to 1 M salt stress for up to three weeks and analyzed using RNAsequencing (RNAseq) and LC-MS. Integrative omics analysis revealed high expression of the Asparagine synthetase (AS) (EC 6.3.5.4) (8.95 fold) and remarkable levels of Asparagine (Asn) (28.5 fold). This indicated that salt stress promoted Asn accumulation in P. odorifer. To understand this further, the Asn biosynthesis pathway was traced out in P. odorifer. It was noticed that seven genes involved in Asn bisynthetic pathway namely glutamine synthetase (GS) (EC 6.3.1.2) glutamate synthase (GOGAT) (EC 1.4.1.14), aspartate kinase (EC 2.7.2.4), pyruvate kinase (EC 2.7.1.40), aspartate aminotransferase (AspAT) (EC 2.6.1.1), phosphoenolpyruvate carboxylase (PEPC) (EC 4.1.1.31) and AS were up-regulated under salt stress. AS transcripts were most abundant thereby showed its highest activity and thus were generating maximal Asn under salt stress. Also, an up-regulated Na+/H+ antiporter (NHX1) facilitated compartmentalization of Na+ into vacuoles, suggesting P. odorifer as salt accumulator species.

1 aRashmi, Deo1 aBarvkar, Vitthal, T.1 aNadaf, Altafhusain1 aMundhe, Swapnil1 aKadoo, Narendra, Y. uhttps://library.ncl.res.in/content/integrative-omics-analysis-pandanus-odorifer-forssk-kuntze-reveals-role-asparagine09146nas a2200145 4500008004100000245006700041210006400108260000800172300001200180490000700192520865000199100002708849700002708876856009708903 2019 eng d00a Intermolecular acyl-transfer reactions in molecular crystals 0 aIntermolecular acyltransfer reactions in molecular crystals cFEB a437-4460 v523 a

CONSPECTUS: It is far more difficult to recognize and predict the chemical reactions that a molecule of an organic compound can undergo in crystalline (solid) state as compared to the solution state (the "organic functional group" approach), since the published data on solid-state structure reactivity investigations and correlations are scant. The discovery of the first intermolecular acyl-transfer reaction in molecular crystals of racemic 2,4-di-O-benzoyl-myo-inositol-1,3,5-orthoformate (DiBz) during our attempts to develop methods for the synthesis of phosphoinositols, motivated us to find other molecular crystals capable of supporting similar reactions. Small changes to the molecular structure of DiBz yielded analogues with different crystal structures which showed varying degrees of acyl transfer reactivity as compared to the crystals of DiBz. A systematic investigation of the structures, polymorphism, cocrystallization behavior, and the corresponding reactivity of these crystals allowed us to correlate the acyl transfer reactivity with their structures and inherent noncovalent interactions and provided crucial insights into the mechanism of these reactions. Polymorphs or cocrystals of these compounds exhibited dissimilar reactivities due to differences in the molecular conformation and/or arrangements in their crystals. The knowledge of phase transitions between polymorphs enabled us to control and tune the reactivity in the solid state. We could identify three conditions essential for intermolecular acyl transfer: (i) favorable relative geometry of the electrophile (ester C=O) and the nucleophile (OH), (ii) noncovalent interactions (C-H center dot center dot center dot pi) between the reacting molecules which help in maintaining the facility and specificity of the reaction, and (iii) the presence of channels in the lattice which enable propagation of the reaction in the crystal. Based on this supramolecular structure reactivity correlation, we identified other molecular crystals (composed of molecules of widely different molecular structure from that of DiBz) from a survey of the Cambridge Structural Database (CSD) and predicted their acyl transfer reactivity. The increased availability of user-friendly modern X-ray diffractometers and related software has enabled efficient collection, analysis and interpretation of single crystal X-ray diffraction data, essential for such studies. The rapidly expanding CSD facilitates the identification of crystals with similar structures and reactivity patterns. In a wider perspective, facile reactions in molecular crystals fascinate chemists because these reactions usually exhibit unique product selectivity and have the potential to be developed as sustainable green reactions. We are optimistic that similar approaches for the study of other group transfer reactions in molecular crystals would augment and widen the scope of chemical reactions in molecular crystals in particular and the solid state in general. The ability to predict the reactivity of molecules in their crystals could find applications in organic synthesis, material science and industry. Realization of the involvement of inositol derivatives in cellular processes led to the discovery of cellular signal transduction mechanisms. The ability of inositol derivatives to support facile acyl-transfer reactions in the crystalline state might well have opened a new avenue for research in the area of organic solid-state reactions.

1 aShashidhar, Mysore, S.1 aKrishnaswamy, Shobhana uhttps://library.ncl.res.in/content/intermolecular-acyl-transfer-reactions-molecular-crystals01972nas a2200157 4500008004100000022001400041245009100055210006900146260000900215300001000224490000800234520141000242100002001652700002001672856012201692 2019 eng d a0006-349500aInterplay between membrane curvature and cholesterol: role of palmitoylated caveolin-10 aInterplay between membrane curvature and cholesterol role of pal cJAN  a69-780 v1163 a

Caveolin-1 (cav-1) is an important player in cell signaling and endocytosis that has been shown to colocalize with cholesterol-rich membrane domains. Experimental studies with varying cav-1 constructs have suggested that it can induce both cholesterol clustering and membrane curvature. Here, we probe the molecular origin of membrane curvature and cholesterol clustering by cav-1 by using coarse-grain molecular dynamics simulations. We have performed a series of simulations of a functionally important cav-1 construct, comprising the membrane-interacting domains and a C-terminal palmitoyl tail. Our results suggest that cav-1 is able to induce cholesterol clustering in the membrane leaflet to which it is bound as well as the opposing leaflet. A positive membrane curvature is observed upon cav-1 binding in cholesterol-containing bilayers. Interestingly, we observe an interplay between cholesterol clustering and membrane curvature such that cav-1 is able to induce higher membrane curvature in cholesterol-rich membranes. The role of the cav-1 palmitoyl tail is less clear and appears to increase the membrane contacts. Further, we address the importance of the secondary structure of cav-1 domains and show that it could play an important role in membrane curvature and cholesterol clustering. Our work is an important step toward a molecular picture of caveolae and vesicular endocytosis.

1 aKrishna, Anjali1 aSengupta, Durba uhttps://library.ncl.res.in/content/interplay-between-membrane-curvature-and-cholesterol-role-palmitoylated-caveolin-100614nas a2200145 4500008004100000245001700041210001700058260001300075300000800088520025600096100001800352700002200370700002400392856005200416 2019 eng d00aIntroduction0 aIntroduction bElsevier a1-33 aThe book provides comprehensive and updated research contribution about advances in synthesis/growth of 2D materials for various sensor applications, their working principles, and mechanism behind the sensor as well physics and chemistry of materials.1 aMorgan, Hywel1 aRout, Chandra, S.1 aLate, Dattatray, J. uhttps://library.ncl.res.in/content/introduction02220nas a2200241 4500008004100000022001400041245012000055210006900175260000900244300001200253490000800265520138800273653001701661653001901678653001101697653001901708653002301727653002401750100002801774700002101802700002501823856013001848 2019 eng d a0003-986100aInvestigation of structural and saccharide binding transitions of Bauhinia purpurea and Wisteria floribunda lectins0 aInvestigation of structural and saccharide binding transitions o cFEB  a134-1420 v6623 a

Two novel medicinally important legume lectins from Bauhinia purpurea (BPL) and Wisteria floribunda (WFL) possessing extended sugar binding site were investigated for functional and conformational transitions using biochemical and biophysical techniques as well as bioinformatical tools. Homology model of BPL was constructed using the Schrodinger suite and docked with N-acetyl galactosamine and T-antigen disaccharide (Gal beta 1-3GalNAc alpha O-Me). The longer loop D in the structure of WFL compared to that in BPL was found to be responsible for its specificity to LacdiNac (beta-D-GalNAc-[1 -> 4]-DGlcNAc) over Gal beta 1-3GalNAc. BPL remained functionally stable up to 40 degrees C whereas WFL remained stable upto 70 degrees C indicating the strength of the sugar binding site geometry. Both the lectins showed intense but non-specific secondary structure in the range of 65-90 degrees C. WFL showed rapid aggregation above 80 degrees C as indicated by light scattering intensity. The lectins showed simultaneous dissociation and multistate unfolding in the vicinity of GdnHCl. At pH 1.0, both the lectins exhibited molten globule like structures, which were characterized further and were found to respond in a different way towards denaturants. The results have provided valuable insights into the molecular basis of the activity and stability of the two lectins.

10aConformation10aHomology model10aLectin10aMolten globule10asaccharide binding10aThermal aggregation1 aAgrawal, Sanskruthi, B.1 aGhosh, Deepanjan1 aGaikwad, Sushama, M. uhttps://library.ncl.res.in/content/investigation-structural-and-saccharide-binding-transitions-bauhinia-purpurea-and-wisteria01073nas a2200157 4500008004100000022001400041245012600055210006900181260000800250300001400258490000600272520045900278100002200737700002600759856013000785 2019 eng d a2470-134300aIodine-mediated oxidative rearrangement of alpha,beta-unsaturated diaryl ketones: a facile access to 1,2-diaryl diketones0 aIodinemediated oxidative rearrangement of alphabetaunsaturated d cJUN a9636-96440 v43 a

A metal-free oxidative rearrangement was explored for the synthesis of 1,2-diaryl diketones by utilizing alpha, beta-unsaturated diaryl ketones and I-2/TBHP in good to high yields. The reaction proceeds via oxidative aryl migration, followed by C-C bond cleavage. A simple and high-yielding protocol was developed for the synthesis of a wide range of 1,2-diaryl diketones, which are the backbone for a variety of medicinally important molecules.

1 aBansode, Ajay, H.1 aSuryavanshi, Gurunath uhttps://library.ncl.res.in/content/iodine-mediated-oxidative-rearrangement-alphabeta-unsaturated-diaryl-ketones-facile-access03153nas a2200193 4500008004100000245008500041210006900126260000900195300001400204490000700218520248400225100002202709700002302731700001902754700002502773700002002798700002502818856011602843 2019 eng d00aIonic liquid-responsive phase transfer of gold nanoparticles: anionic metathesis0 aIonic liquidresponsive phase transfer of gold nanoparticles anio cJULY a9213-92180 v353 a

In this work, a fresh approach has been proposed for the efficient transfer of gold nanoparticles (AuNPs) from an aqueous to organic phase by the metathesis reaction or anion exchange reaction. Here, we synthesized ionic liquid 1-butyl 3-hexadecyl imidazolium bromide [C(4)C1(6I)m]-Br-stabilized AuNPs which exhibit excellent stability in solution. Transfer of Au@[C(4)C(16)Im]Br from an aqueous to organic phase was investigated by the metathesis reaction with different hydrophobic ionic liquid-forming salts such as LiNTf2, LiClO4, and KPF6. The anionic exchange process in ionic liquids at the AuNP surface to make hydrophilic to hydrophobic AuNPs is demonstrated. It was found that hydrophobic ionic liquids provide the most effective transfer of AuNPs from the aqueous to organic phase. Interestingly, we have noticed no change in color, size, and shape of AuNPs for more than a month, indicating more efficient transfer of AuNPs in organic solvents, which remained stable for over a month. The ionic liquids with anions NTf2-, ClO4-, and PF6- make the AuNP surface hydrophobic, indicating their good dispersibility in nonpolar solvents. Finally, these AuNPs exhibit excellent sensitivity toward the refractive index of organic solvents, which is correlated with the surface plasmon resonance (SPR) lambda(SPR) bands.

1 aThawarkar, Sachin1 aNirmale, Trupti, C1 aMore, Sahebrao1 aAmbekar, Jalindar, D1 aKale, Bharat, B1 aKhupse, Nageshwar, D uhttps://library.ncl.res.in/content/ionic-liquid-responsive-phase-transfer-gold-nanoparticles-anionic-metathesis02414nas a2200205 4500008004100000022001400041245009600055210006900151260000900220300001400229490000700243520169500250100002201945700002401967700002301991700002302014700002502037700002102062856012502083 2019 eng d a0022-326300aIonic pyridinium-oxazole dyads: design, synthesis, and application in mitochondrial imaging0 aIonic pyridiniumoxazole dyads design synthesis and application i cFEB  a1766-17770 v843 a

We recently developed an oxidative intramolecular 1,2-amino-oxygenation reaction, combining gold(I)/gold(III) catalysis, for accessing structurally unique ionic pyridinium-oxazole dyads (PODs) with tunable emission wavelengths. On further investigation, these fluorophores turned out to be potential biomarkers; in particular, the one containing -NMe2 functionality (NMe2-POD) was highly selective for mitochondrial imaging. Of note, because of mitochondria's involvement in early-stage apoptosis and degenerative conditions, tracking the dynamics of mitochondrial morphology with such imaging technology has attracted much interest. Along this line, we wanted to build a library of such PODs which are potential mitochondria trackers. However, Au/Selecfluor, our first-generation catalyst system, suffers from undesired fluorination of electronically rich PODs resulting in an inseparable mixture (1:1) of the PODs and their fluorinated derivatives. In our attempt to search for a better alternative to circumvent this issue, we developed a second-generation approach for the synthesis of PODs by employing Cu(II)/PhI(OAC)(2)-mediated oxidative 1,2-amino-oxygenation of alkynes. Thes newly synthesized PODs exhibit tunable emissions as well as excellent quantum efficiency up to 0.96. Further, this powerful process gives rapid access to a library of NMe2-PODs which are potential mitochondrial imaging agents. Out of the library, the randomly chosen POD-3g was studied for cell-imaging experiments which showed high mitochondrial specificity, superior photostability, and appreciable tolerance to microenvironment changes with respect to commercially available MitoTracker green.

1 aShaikh, Aslam, C.1 aVarma, Mokshada, E.1 aMule, Ravindra, D.1 aBanerjee, Somsuvra1 aKulkarni, Prasad, P.1 aPatil, Nitin, T. uhttps://library.ncl.res.in/content/ionic-pyridinium-oxazole-dyads-design-synthesis-and-application-mitochondrial-imaging01069nas a2200169 4500008004100000022001400041245010800055210006900163260000900232300001400241490000700255520042800262100002700690700002600717700002400743856013200767 2019 eng d a0022-326300aIridium(III)-catalyzed alkynylation of 2-(Hetero)arylquinazolin-4-one scaffolds via C-H bond activation0 aIridiumIIIcatalyzed alkynylation of 2Heteroarylquinazolin4one sc cMAR  a2951-29610 v843 a

The directed C-H alkynylation of 2-(hetero)arylquinazolin-4-ones has been explored with the ethynylbenziodoxolone reagent TIPS-EBX employing an Ir(III) catalyst. Complementary conditions for either monoalkynylation or dialkynylation have been developed. Also demonstrated is the broad scope of this reaction and the compatibility of various functional groups such as -F, -Cl, -Br, -CF3, -OMe, -NO2, and alkyl, etc.

1 aRohokale, Rajendra, S.1 aKalshetti, Rupali, G.1 aRamana, Chepuri, V. uhttps://library.ncl.res.in/content/iridiumiii-catalyzed-alkynylation-2-heteroarylquinazolin-4-one-scaffolds-c-h-bond-activation01253nas a2200181 4500008004100000245012600041210006900167260000800236300001400244490000700258520056900265100002500834700001900859700002000878700002300898700002500921856012500946 2019 eng d00aIsolation and molecular characterization of thermophilic coprophilous fungus malbranchea cinnamomea GSMBKU from goat dung0 aIsolation and molecular characterization of thermophilic coproph cDEC a2227-22330 v133 a

Thermophilic fungi, found in the varied habitats are valuable sources for potential enzymes and other biochemical metabolites throwing challenges to the mycologists. A study of such fungi will not only enables the biochemists, microbiologists, and the biotechnologists to understand the basic molecular process but also search for novel genes, gene products and reactions. In this study, Malbranchea cinnamomea was isolated from goat dung and characterized based on its morphological and physiological characters, and later confirmed molecularly.

1 aAjmera, Shanthipriya1 aRao, Koteswara1 aRanipadmini, V.1 aMerugu, Ramchander1 aGirisham, Sivadevuni uhttps://library.ncl.res.in/content/isolation-and-molecular-characterization-thermophilic-coprophilous-fungus-malbranchea02372nas a2200193 4500008004100000022001400041245014400055210006900199260000900268300001100277490000800288520163500296100002701931700002101958700001601979700002801995700002602023856012902049 2020 eng d a0021-897900aIce templated nanocomposites containing rod-like hematite particles: Interplay between particle anisotropy and particle-matrix interactions0 aIce templated nanocomposites containing rodlike hematite particl cJUL  a0347020 v1283 a

We demonstrate that the mechanical response of ice templated nanocomposite scaffolds prepared from ellipsoidal hematite particles is determined by both the particle aspect ratio and the interaction between the particles and the matrix polymer. We ice template aqueous dispersions of hematite particles, polyethyleneimine, and diepoxy crosslinker and crosslink the polymer in the frozen state. This protocol results in the formation of elastic macroporous monoliths capable of complete recovery from large compressive strains. Hematite particles show an inversion of their surface charge with pH: they are negatively charged at a basic pH and positively charged under acidic conditions. This allows us to change the interaction between hematite particles and crosslinked matrix polymer that they are embedded in, simply by immersing the monoliths in aqueous solutions with different pH's. We report that under basic conditions, viz, when polyethyleneimine adsorbs on the particle surface, there is a decrease in the monolith modulus with an increase in the particle aspect ratio. We demonstrate that this correlates with a change in the mechanism of monolith response: from wall compression for isotropic particles to wall bending for anisotropic particles with an aspect ratio of 4. Under acidic conditions (pH=2), where hematite particles show a positive zeta potential, the monolith modulus increases with the aspect ratio of the ellipsoidal fillers. Understanding the interplay between filler aspect ratio and filler-matrix interaction has important implications for the control of nanocomposite mechanical properties.

1 aKumaraswamy, Guruswamy1 aSuresh, Karthika1 aLama, Hisay1 aBasavaraj, Madivala, G.1 aSatapathy, Dillip, K. uhttps://library.ncl.res.in/content/ice-templated-nanocomposites-containing-rod-hematite-particles-interplay-between-particle02736nas a2200217 4500008004100000022001400041245015600055210006900211260000800280300001300288490000700301520191100308100002102219700002802240700002602268700001902294700002102313700002502334700002702359856013202386 2020 eng d a1932-620300aIdentification and expression analysis of miRNAs and elucidation of their role in salt tolerance in rice varieties susceptible and tolerant to salinity0 aIdentification and expression analysis of miRNAs and elucidation cAPR ae02309580 v153 a

Soil salinization is a serious problem for cultivation of rice, as among cereals rice is the most salt sensitive crop, and more than 40% of the total agricultural land amounting to approximately 80 million ha the world over is salt affected. Salinity affects a plant in a varieties of ways, including ion toxicity, osmotic stress and oxidative damage. Since miRNAs occupy the top place in biochemical events determining a trait, understanding their role in salt tolerance is highly desirable, which may allow introduction of the trait in the rice cultivars of choice through biotechnological interventions. High throughput sequencing of sRNAs in the root and shoot tissues of the seedlings of the control and NaCl treated Pokkali, a salt-tolerant rice variety, identified 75 conserved miRNAs and mapped 200 sRNAs to the rice genome as novel miRNAs. Expression of nine novel miRNAs and two conserved miRNAs were confirmed by Northern blotting. Several of both conserved and novel miRNAs that expressed differentially in root and/or shoot tissues targeted transcription factors like AP2/EREBP domain protein, ARF, NAC, MYB, NF-YA, HD-Zip III, TCP and SBP reported to be involved in salt tolerance or in abiotic stress tolerance in general. Most of the novel miRNAs expressed in the salt tolerant wild rice Oryza coarctata, suggesting conservation of miRNAs in taxonomically related species. One of the novel miRNAs, osa-miR12477, also targeted L- upon salt treatment, which was confirmed by DAB staining. Thus, salt tolerance might involve miRNA-mediated regulation of 1) cellular abundance of the hormone signaling components like EREBP and ARF, 2) synthesis of abiotic stress related transcription factors, and 3) antioxidative component like LAO for mitigation of oxidative damage. The study clearly indicated importance of osa-miR12477 regulated expression of LAO in salt tolerance in the plant.

1 aParmar, Shaifaly1 aGharat, Sachin, Ashruba1 aTagirasa, Ravichandra1 aChandra, Tilak1 aBehera, Lambodar1 aDash, Sushant, Kumar1 aShaw, Birendra, Prasad uhttps://library.ncl.res.in/content/identification-and-expression-analysis-mirnas-and-elucidation-their-role-salt-tolerance-rice01473nas a2200157 4500008004100000022001400041245008300055210006900138260000900207300001400216490000700230520092400237100002201161700002201183856011001205 2020 eng d a1359-734500aImines as acceptors and donors in N-heterocyclic carbene (NHC) organocatalysis0 aImines as acceptors and donors in Nheterocyclic carbene NHC orga cAUG  a8537-85520 v563 a

The synthetic potential of imines as electrophiles or as a source of nucleophilic coupling partner in N-heterocyclic carbene (NHC) catalysis for the synthesis of various nitrogen heterocycles and functionalized amines is highlighted in this Feature Article. Electrophilic imines are suitable candidates for intercepting the NHC-derived acyl anions, homoenolate equivalents, and (di)enolates for the synthesis of alpha-amino ketones and a variety of lactam derivatives. Moreover, enamines generated from imines bearing alpha-hydrogen could be trapped with alpha,beta-unsaturated acylazoliums for the synthesis of functionalized dihydropyridinones. NHCs are also useful for the umpolung of imines for the generation of aza-Breslow intermediates thus leading to the synthesis of indoles, quinolines, dihydroquinoxalinesetc.A concise account of the diverse reactivity of imines in NHC catalysis has been presented.

1 aDas, Tamal, Kanti1 aBiju, Akkattu, T. uhttps://library.ncl.res.in/content/imines-acceptors-and-donors-n-heterocyclic-carbene-nhc-organocatalysis02664nas a2200181 4500008004100000022001400041245006900055210006900124260000800193300001400201490000700215520207400222100001902296700002202315700002802337700002402365856009302389 2020 eng d a1528-748300aImproving the dissolution rate of the anticancer drug dabrafenib0 aImproving the dissolution rate of the anticancer drug dabrafenib cFEB a1035-10460 v203 a

Dabrafenib (DBF) is an anticancer drug with selective B-Raf (BRAF) inhibition activity. In 2013, DBF was approved by the U.S. Food and Drug Administration (US-FDA) as a dabrafenib mesylate salt (DBF center dot MS). Because of insolubility in aqueous medium, specifically at the pH 4-8 biorelevant range, DBF is a Biopharmaceutics Classification System (BCS) Class II drug (i.e., low solubility and high permeability). Therefore, screening of novel salts and cocrystals was carried out using Generally Recognized as Safe (GRAS) coformers. A total of 10 salts/cocrystals including the mesylate salt were found to be stable under the crystallization conditions. Among acidic coformers, methane sulfonic acid (MS) and saccharin (SACH) formed salts, while fumaric acid (FA), succinic acid (SA), and adipic acid (ADA) gave cocrystals. However, monoamines formed a monohydrate salt where the water molecule is hydrogen bonded with the aminopyrimidine moiety of DBF. The replacement of monoamines with ethylenediamine (EN) dislocated the water molecule near the free amine of EN in the crystal structure with a change in space group from triclinic (P (1) over bar) to monoclinic (P2(1)/n). Dissolution measurements at pH 1.2 (0.1 N HCl) showed that DBF center dot EN superset of H2O dissolved rapidly compared to the DBF.MS salt (the dissolution rate of DBF center dot EN superset of H2O and DBF center dot MS is 11 and 2 times faster than that of DBF). Structure-activity relationship analysis showed that bonding of the aminopyrimidine moiety with strong hydrogen bond synthons inhibited dissolution, whereas a loosely bound or free site at the aminopyrimidine moiety enhanced the dissolution rate. Finally, a cytotoxicity study was performed for DBF, DBF center dot MS, and DBF center dot EN superset of H2O, which showed that DBF center dot EN superset of H2O is safe for normal cells and yet equally potent against cancer cells. Crystal engineering of an improved formulation of dabrafenib center dot ethylenediamine hydrate is presented as a new anticancer drug.

1 aRai, Sunil, K.1 aGunnam, Anilkumar1 aMannava, M., K. Chaitan1 aNangia, Ashwini, K. uhttps://library.ncl.res.in/content/improving-dissolution-rate-anticancer-drug-dabrafenib02416nas a2200301 4500008004100000022001400041245011600055210006900171260000800240300001200248490000700260520140900267653002801676653002501704653002601729653002001755653002501775100002701800700001701827700001801844700001701862700001901879700002101898700001901919700002401938700002401962856012801986 2020 eng d a1613-681000aIn situ cross-linked nonaqueous polymer electrolyte for zinc-metal polymer batteries and hybrid supercapacitors0 aIn situ crosslinked nonaqueous polymer electrolyte for zincmetal cSEP a20025280 v163 a

This work reports the facile synthesis of nonaqueous zinc-ion conducting polymer electrolyte (ZIP) membranes using an ultraviolet (UV)-light-induced photopolymerization technique, with room temperature (RT) ionic conductivity values in the order of 10(-3)S cm(-1). The ZIP membranes demonstrate excellent physicochemical and electrochemical properties, including an electrochemical stability window of >2.4 V versus Zn|Zn(2+)and dendrite-free plating/stripping processes in symmetric Zn||Zn cells. Besides, a UV-polymerization-assisted in situ process is developed to produce ZIP (abbreviated i-ZIP), which is adopted for the first time to fabricate a nonaqueous zinc-metal polymer battery (ZMPB; VOPO4|i-ZIP|Zn) and zinc-metal hybrid polymer supercapacitor (ZMPS; activated carbon|i-ZIP|Zn) cells. The VOPO(4)cathode employed in ZMPB possesses a layered morphology, exhibiting a high average operating voltage of approximate to 1.2 V. As compared to the conventional polymer cell assembling approach using the ex situ process, the in situ process is simple and it enhances the overall electrochemical performance, which enables the widespread intrusion of ZMPBs and ZMPSs into the application domain. Indeed, considering the promising aspects of the proposed ZIP and its easy processability, this work opens up a new direction for the emergence of the zinc-based energy storage technologies.

10anonaqueous electrolytes10apolymer electrolytes10apostlithium batteries10aSupercapacitors10azinc-metal batteries1 aVijayakumar, Vidyanand1 aGhosh, Meena1 aKurian, Maria1 aTorris, Arun1 aDilwale, Swati1 aBadiger, Manohar1 aWinter, Martin1 aNair, Jijeesh, Ravi1 aKurungot, Sreekumar uhttps://library.ncl.res.in/content/situ-cross-linked-nonaqueous-polymer-electrolyte-zinc-metal-polymer-batteries-and-hybrid01955nas a2200145 4500008004100000245007300041210006900114300001200183490000700195520130500202653012601507100003601633700003301669856010701702 2020 eng d00aIndole-based subincanadine alkaloids and their biogenetic congeners 0 aIndolebased subincanadine alkaloids and their biogenetic congene a187-2230 v833 a

The tryptamine-derived polycyclic bridged bioactive indole alkaloids subincanadines A-G were isolated in 2002 by Ohsaki and coworkers from the bark of the Brazilian medicinal plant Aspidosperma subincanum. Kobayashi proposed that subincanadines D-F could be biosynthetically resulting from stemmadenine via two different pathways and, furthermore, that the subincanadines A-C could be biogenetically resulting from subincanadines D and E. Kam and coworkers, in their focused efforts, isolated five indole alkaloids from Malaysian Kopsia arborea species, namely valparicine, apparicine, arboridinine, arborisidine, and arbornamine in combination with subincanadine E. On the basis of structural features, it has been proposed and proved in some examples that subincanadine E is a biogenetic precursor of these five different bioactive indole alkaloids bearing complex structural architectures. All important information on isolation, characterization, bioactivity, probable biogenetic pathways, and more specifically racemic and enantioselective total synthesis of subincanadine alkaloids and their biogenetic congeners are summarized in the present chapter. Special importance is given to the total synthesis and the synthetic strategies intended therein, comprising a set of main reactions.

10aAspidosperma subincanum species; Bioactive indole alkaloids; Biogenesis; Congeners; Subincanadines A–G; Total syntheses1 aKalshetti, Manojkumar, Gulabrao1 aArgade, Narshinha, Panditrao uhttps://library.ncl.res.in/content/indole-based-subincanadine-alkaloids-and-their-biogenetic-congeners00641nas 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-and01852nas a2200241 4500008004100000022001400041245009300055210006900148260000800217300001200225490000700237520110600244653001201350653001201362653001701374653001601391653000801407653000801415100002201423700002401445700002901469856011201498 2020 eng d a1002-072100aInfluence of cobalt on performance of Cu-CeO2 catalysts for preferential oxidation of CO0 aInfluence of cobalt on performance of CuCeO2 catalysts for prefe cSEP a941-9500 v383 a

{Copper and cobalt oxides supported on CeO2 were investigated for preferential oxidation of carbon monoxide (CO-PROX) in the presence of excess hydrogen and CO2. (CuO)(1-x)(Co3O4)(x/3)-(CeO2)(2.5) (x = 0, 0.25, 0.50, 0.75, 0.85 and 1) catalysts were prepared by coprecipitation method. These mixed oxide catalysts were characterized by several physicochemical techniques, such as BET surface area (SBET), X-ray diffraction (XRD), high resolution transmission electron microscopy (HRTEM), temperature programmed reduction (TPR) and X-ray photoelectron spectroscopy (XPS). XRD studies show the peaks related to CuO and Co3O4 phases in copper and cobalt containing CeO2 catalysts. The average particle size of the CeO2 crystallites is in the range of 8-10 nm as evaluated from HRTEM studies. XPS studies demonstrate that Cu, Co and Ce in (CuO)(1-x)(Co3O4)(x/3)-(CeO2)(2.5) catalysts are presented in +2 and +1, +3 and +2 and +4 and +3 oxidation states, respectively. The catalyst with x = 0.75 shows better activity and selectivity towards CO-PROX. Though the catalyst with only copper (CuO-CeO2

10aCO-PROX10aCu-CeO210aH2O addition10aMethanation10aXPS10aXRD1 aMalwadkar, Sachin1 aBera, Parthasarathi1 aSatyanarayana, C., V. V. uhttps://library.ncl.res.in/content/influence-cobalt-performance-cu-ceo2-catalysts-preferential-oxidation-co01481nas a2200253 4500008004100000022001400041245010900055210006900164260000800233300000900241490000700250520061800257653002200875653002200897653002900919653002000948653001200968100002200980700002401002700002601026700002401052700002401076856012701100 2020 eng d a2053-229600aInfluence of fluorine substitution on the molecular conformation of 3 `-deoxy-3 `-fluoro-5-methyluriaine0 aInfluence of fluorine substitution on the molecular conformation cAPR a346+0 v763 a

{Fluorine substitutions on the furanose ring of nucleosides are known to strongly influence the conformational properties of oligonucleotides. In order to assess the effect of fluorine on the conformation of 3'-deoxy-3'-fluoro-5-methyluridine (T-R(F)), C-10 H13FN2O5, we studied its stereochemistry in the crystalline state using X-ray crystallography. The compound crystallizes in the chiral orthorhombic space group P2(1)2(1)2(1) and contains two symmetry-independent molecules (A and B) in the asymmetric unit. The furanose ring in molecules A and B adopts conformations between envelope (E-2, 2'-endo

10acrystal structure10afluoro nucleoside10apseudorotation parameter10asugar puckering10auridine1 aAher, Manisha, N.1 aErande, Namrata, D.1 aKumar, Vaijayanti, A.1 aFernandes, Moneesha1 aGonnade, Rajesh, G. uhttps://library.ncl.res.in/content/influence-fluorine-substitution-molecular-conformation-3-deoxy-3-fluoro-5-methyluriaine02808nas a2200277 4500008004100000022001400041245012400055210006900179260000900248300001100257490000800268520186200276653002402138653001802162653001802180653001602198653002602214100002102240700002402261700002202285700002302307700001902330700003002349700002002379856013102399 2020 eng d a0167-732200aInfluence of gold nanorods on the structure and photonic bandgap in a twist grain boundary phase with smectic C* blocks0 aInfluence of gold nanorods on the structure and photonic bandgap cFEB  a1121170 v2993 a

We describe the first report of the influence of gold nanorods (GNR) on the induced twist grain boundary smectic C* (TGBC*) phase in a binary mixture of achiral bent-core and chiral linear liquid crystals. The GNR concentration-dependent phase diagram of these nanocomposites shows that the thermal range of this twist grain boundary phase having smectic C* blocks phase increases by 50% for an intermediate composition compared to that for the host binary mixture without nanorods. The inclusion of the nanorods is seen to have substantial effect on the structural and photonic bandgap features of the TGBC* phase. For example, the helical periodidty gets altered in all the three dimensions: while those within the block undergo a huge increase, the one which is orthogonal to the blocks, shrinks. The spacing of the square grid pattern arising normal to the TGB helix direction increases for the nanocomposites getting even doubled for a certain composition, a feature evidenced by optical microscopy as well as optical diffraction. Xray diffraction clearly brings out the feature that the presence of GNR alters the thermal character of the transition between the TGBC* and the cholesteric phase. Quantitative analysis of the data indicates that the system would remain in the vicinity of a possible tricritical point, a behavior having wider ramifications to understand the underlying critical phenomenon. Based on the experimental observations, and capturing the essence of the reported adaptive defect core targeting mechanism we propose a model wherein GNRs get confined in the grain boundary region. This feature offers a potential to have periodic and anisotropic plasmonic structure arising out of the synergetic interactions between the metal nanorod and the twisted grain boundary structure. (C) 2019 Elsevier B.V. All rights reserved.

10a3D photonic bandgap10aGold nanorods10aInduced phase10aTGBC* phase10aTricritical phenomena1 aSahoo, Rajalaxmi1 aRao, D., S. Shankar1 aHiremath, Uma, S.1 aYelamaggad, V., C.1 aShinde, Pravin1 aPrasad, Bhagavatula L. V.1 aPrasad, Krishna uhttps://library.ncl.res.in/content/influence-gold-nanorods-structure-and-photonic-bandgap-twist-grain-boundary-phase-smectic-c02053nas a2200205 4500008004100000022001400041245009300055210006900148260000800217300001200225490000700237520137800244100001401622700002501636700002001661700002301681700001801704700002101722856010401743 2020 eng d a1744-683X00aInfluence of the ion size on the stability of the smectic phase of ionic liquid crystals0 aInfluence of the ion size on the stability of the smectic phase  cJAN a411-4200 v163 a

The thermotropic phase behavior of ionic liquids and ionic liquid crystals based on novel N-alkyl-3-methylpyridinium halides, trihalides and dichloroiodates was experimentally studied by polarized optical spectroscopy (POM) and differential scanning calorimetry (DSC) as well as by molecular dynamics (MD) simulation. In the experiments, the existence and thermal range of stability of the smectic phase of these ionic liquid crystals are found to strongly depend on the volume ratio between the cation and anion, that is their relative size. Only compounds with a relatively large volume ratio of the cation to anion, i.e., those with longer cationic alkyl chains and monoatomic halide anions, have a stable smectic A phase. Both melting points and clearing points increase with such a ratio. The MD simulation results qualitatively agree very well with the experimental data and provide molecular details which can explain the experimentally observed phenomena: the stronger van der Waals interactions from the longer alkyl chains and the stronger electrostatic interactions from the smaller anions with a higher charge density increase the stability of both the crystal phase and the smectic phase; this also prevents the ionic layers from easily mixing with the hydrophobic regions, a mechanism that ultimately leads to a nanosegregated isotropic liquid phase.

1 aCao, Wudi1 aSenthilkumar, Beeran1 aCausin, Valerio1 aSwamy, Vincent, P.1 aWang, Yanting1 aSaielli, Giacomo uhttps://library.ncl.res.in/content/influence-ion-size-stability-smectic-phase-ionic-liquid-crystals02416nas a2200301 4500008004100000020001400041022001400055245012000069210006900189260000800258300001600266490000700282520145200289653001501741653001201756653001901768653000601787653001901793653002201812100002401834700001601858700002401874700001701898700002401915700002301939700002201962856013001984 2020 eng d a1572-8862 a1040-727800aInhibition of quorum sensing, motility and biofilm formation ofpseudomonas aeruginosaby copper oxide nanostructures0 aInhibition of quorum sensing motility and biofilm formation ofps cOCT a1531 - 15410 v323 a

Quorum sensing (QS) is the communication between bacterial cells governed by their population density and regulated by the genes controlling virulence factors and biofilm formation. Multiple mechanisms of biofilms are resistive to antimicrobial chemotherapy; therefore novel strategies are required to overcome its limitations. Here, we report the effect of various copper oxide nanostructures (CuO-NSs) on quorum sensing inhibition. The two-dimensional CuO-NSs such as interlaced nanodiscs, nanodiscs and leaf-shaped nanosheets are prepared via a simple chemical method. The Quorum sensing inhibition (QSI) activity of all the CuO-NS are examined using reporter strainChromobacterium violaceumCV026 andEscherichia colipSB1142. We found that the CuO-interlaced nanodisc structures exhibit better QSI activity than nanodiscs and leaf-shaped sheets. The interlaced nanodisc structures are inhibited various long-chainN-acyl homoserine lactones (AHLs) mediated QS individually and confirmed by other QS-associated phenomena forPseudomonas aeruginosa, including biofilm inhibition, inhibition of virulence factors such as pyocyanin, protease production and swarming motility. Thus QSI activity of CuO-NSs is solely dependent on specific shape offering large surface area and more active sites. The CuO-NS is effective quorum sensing inhibitors, which has potential clinical applications in the management ofP. aeruginosaassociated infections.

10aaeruginosa10aBiofilm10aNanostructures10aP10aquorum sensing10aVirulence factors1 aDesai, Dnyanada, G.1 aSwarali, H.1 aNavale, Govinda, R.1 aPrabhune, A.1 aLate, Dattatray, J.1 aDharne, Mahesh, S.1 aWalke, Pravin, S. uhttps://library.ncl.res.in/content/inhibition-quorum-sensing-motility-and-biofilm-formation-ofpseudomonas-aeruginosaby-copper01974nas a2200193 4500008004100000022001400041245012200055210006900177260000900246300001200255490000600267520126000273100001901533700002201552700002101574700002901595700002601624856013001650 2020 eng d a2398-490200aInsights into the catalytic activity of Ru/NaY catalysts for efficient H-2 production through aqueous phase reforming0 aInsights into the catalytic activity of RuNaY catalysts for effi cFEB  a678-6900 v43 a

Ruthenium nanoparticles supported on NaY zeolite catalysts were synthesized by a simple ion exchange method. The structural and morphological features of the catalysts were systematically investigated using numerous techniques such as N-2-sorption, XRD, CO2-TPD, H-2-TPR, TEM, SEM, ICP-OES, TGA, CHN analysis, XPS, in situ CO-FTIR and NMR spectroscopy. These novel Ru-NaY catalysts were highly active and selective for H-2 production through aqueous phase reforming (APR) of glycerol and ethylene glycol. Among the various catalysts evaluated for H-2 production, the 3 wt% Ru-NaY catalyst demonstrated the highest catalytic performance with excellent H-2 selectivity and this catalyst exhibits better activity as compared to many state of the art catalysts reported so far. The superior catalytic activity of 3 wt% Ru-NaY was attributed to the appropriate Ru metal loading, good metal dispersion, small size of Ru nanoparticles, better metal-support interaction, and higher availability of catalytically active sites (Ru-0) and facilitated water gas shift (WGS) reaction. This catalytic activity result clearly shows that NaY zeolite supported Ru nanoparticles catalysts have excellent potential for H-2 production from biomass-derived compounds.

1 aGogoi, Pranjal1 aNagpure, Atul, S.1 aKandasamy, Prabu1 aSatyanarayana, C., V. V.1 aRaja, Thirumalaiswamy uhttps://library.ncl.res.in/content/insights-catalytic-activity-runay-catalysts-efficient-h-2-production-through-aqueous-phase02045nas a2200229 4500008004100000022001400041245006700055210006600122260000800188300001400196490000700210520132400217653002501541653001701566653002601583653002301609653001401632100002201646700002401668700002401692856009901716 2020 eng d a0006-308800aInsights of Bipolaris sorokinianasecretome-anin silicoapproach0 aInsights of Bipolaris sorokinianasecretomeanin silicoapproach cDEC a2367-23810 v753 a

The plant pathogen,Bipolaris sorokiniana(teleomorph:Cochliobolus sativus), is of global concern as it attacks many economically important cereals and grasses. During the infection process, phytopathogenic fungi are known to secrete a variety of proteins collectively known as the secretome, analyzing which can help in deciphering the mechanism of fungal pathogenesis. In this study, we performedin silicosecretome analysis ofC. sativusstrain ND90Pr using established secretome prediction pipeline involving software tools such as SignalP, TargetP, TMHMM, big-PI Fungal Predictor, ProtComp, and WoLF PSORT. Using these software and other prediction criteria, we identified 196 probable secretory proteins from theB. sorokinianaproteome. Characterization of the predicted secretome revealed proteins that may have probable functions in degradation of the plant cell wall, lipids, proteins, and nucleic acids, as well as in pathogenesis and metabolism. Further, the PHI-base analysis identified 38 proteins having a possible role in pathogenicity and virulence. This study helped to predict the composition of the secretome ofB. sorokinianaand extrapolate its role in plant infection and pathogen survival. It may provide clues for developing new control strategies targeting the vital fungal secretory proteins.

10aCochliobolus sativus10apathogenesis10aPhytopathogenic fungi10aSecretory proteins10aVirulence1 aPathak, Gauri, M.1 aGurjar, Gayatri, S.1 aKadoo, Narendra, Y. uhttps://library.ncl.res.in/content/insights-bipolaris-sorokinianasecretome-anin-silicoapproach02422nas 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-oxide02024nas a2200241 4500008004100000022001400041245011800055210006900173260000900242300001200251490000600263520120900269653003301478653001601511653001501527653002301542653001401565100001801579700001801597700001801615700002501633856012401658 2020 eng d a2365-654900aIntegration of heterogeneous acid and base catalysis for clean synthesis of jet-fuel precursor from carbohydrates0 aIntegration of heterogeneous acid and base catalysis for clean s cJAN  a392-4000 v53 a

C-12 branched alkane fuel precursor was produced from carbohydrates using an efficient integrated solid acid and base catalysis approach involving: i) isomerisation-dehydration of carbohydrates to 5-(hydroxymethyl)furfural (HMF) over solid acid catalyst having both Lewis and Bronsted sites) in a biphasic MIBK (methylisobutylketone): water + DMSO solvent system and ii) Claisen-Schmidt condensation of crude HMF with MIBK over solid base catalyst. Initially, high yield of jet fuel precursor, (E)-1-(5-(hydroxymethyl)furan-2-yl)-5-methylhex-1-en-3-one from pure HMF and MIBK was achieved over basic CaMgAl(231) catalyst. The glucose dehydration to HMF was optimized in biphasic MIBK: H2O-NaCl: DMSO (8:1.5:0.5; v/v/v) system, with complete glucose conversion and 42% HMF yield over Zr-Mont possessing both Lewis and Bronsted acid sites. In an integrated dehydration + Claisen-Schmidt condensation sequence, Zr-Mont catalyst was filtered off and the crude HMF with MIBK underwent Claisen-Schmidt condensation over CaMgAl(231) catalyst. The overall 32% yield of Claisen-Schmidt condensation product was achieved from glucose. MIBK acting also as a product extractant, could be recovered upto 80%.

10aClaisen-Schmidt condensation10adehydration10aintegrated10ajet-fuel precursor10arenewable1 aShinde, Suhas1 aTarade, Komal1 aMitra, Gaurav1 aRode, Chandrashekhar uhttps://library.ncl.res.in/content/integration-heterogeneous-acid-and-base-catalysis-clean-synthesis-jet-fuel-precursor01849nas 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-ether02674nas a2200229 4500008004100000245012800041210006900169260000800238300000800246490000700254520187200261653002402133653002002157653001602177653001402193653001102207653000802218100003402226700001602260700003602276856013202312 2020 eng d00aInteraction of Tau with the chemokine receptor, CX3CR1 and its effect on microglial activation, migration and proliferation0 aInteraction of Tau with the chemokine receptor CX3CR1 and its ef cSEP a1090 v103 a

Alzheimer's disease (AD) is a neurodegenerative disease that leads to progressive loss of memory and dementia. The pathological hallmarks of AD include extracellular accumulation of amyloid-beta peptides forming senile plaques and intracellular accumulation of Tau oligomers and filamentous species. Tau is a microtubule-binding protein that stabilizes tubulin to form microtubules under physiological condition. In AD/ pathological condition, Tau detaches from microtubules and aggregates to form oligomers of different sizes and filamentous species such as paired helical filaments. Microglia are the resident brain macrophages that are involved in the phagocytosis of microbes, cellular debris, misfolded and aggregated proteins. Chemokine receptor, CX3CR1 is mostly expressed on microglia and is involved in maintaining the microglia in a quiescent state by binding to its ligand, fractalkine (CX3CL1), which is expressed in neurons as both soluble or membrane-bound state. Hence, under physiological conditions, the CX3CR1/CX3CL1 axis plays a significant role in maintaining the central nervous system (CNS) homeostasis. Further, CX3CR1/CX3CL1 signalling is involved in the synthesis of anti-inflammatory cytokines and also has a significant role in cytoskeletal rearrangement, migration, apoptosis and proliferation. In AD brain, the expression level of fractalkine is reduced, and hence Tau competes to interact with its receptor, CX3CR1. In microglia, phagocytosis and internalization of extracellular Tau species occurs in the presence of a chemokine receptor, CX3CR1 which binds directly to Tau and promotes its internalization. In this review, the pathophysiological roles of CX3CR1/fractalkine signalling in microglia and neurons at different stages of Alzheimer's disease and the possible role of CX3CR1/Tau signalling has been widely discussed.

10aAlzheimer's disease10aCX3CR1 receptor10aFractalkine10amicroglia10aNeuron10aTau1 aChidambaram, Hariharakrishnan1 aDas, Rashmi1 aChinnathambi, Subashchandrabose uhttps://library.ncl.res.in/content/interaction-tau-chemokine-receptor-cx3cr1-and-its-effect-microglial-activation-migration-and02295nas a2200217 4500008004100000022001400041245016500055210006900220260000800289300001100297490000800308520148300316653003001799653002501829653002301854653001601877100001501893700001801908700002201926856012901948 2020 eng d a0925-838800aInvestigating effect of strain on electronic and optical properties of lead free double perovskite Cs2AgInCl6 solar cell compound: A first principle calculation0 aInvestigating effect of strain on electronic and optical propert cMAR a1527580 v8173 a

Despite serious problems associated with toxicity of lead, lead halide perovskite based solar cells have resulted with remarkable efficiency and hence gained much interest. To overcome this aspect, numerous solutions are attempted by researchers which include the development of new environmental friendly lead free double perovskite (DP) photovoltaic materials. Enlightening on the same line, we report first principle calculations on electronic and optical properties of Cs2AgInCl6 solar photovoltaic materials. Present opto-electronic computations for lead free DP compound, have been performed using the full potential linearized augmented plane wave method. In present investigations, we have adopted exchange and correlation potentials prescribed by Perdew et al. and the most accurate Tran-Blaha modified Becke-Johnson. Both exchange and correlation potential computations are performed with and without spin orbit coupling. Results obtained for electronic and optical properties are validated by systematic comparison with available experimental data. Reasonable reconciliation between investigated results and the available experimental data, endorse accuracy of present computations. To identify the effect of strain on energy gap and hence on the optical properties of Cs2AgInCl6 compound, computations of electronic and optical properties have also been performed under the different values of strain application. (C) 2019 Elsevier B.V. All rights reserved.

10aDensity functional theory10aElectronic Structure10aOptical properties10asolar cells1 aSoni, Amit1 aBhamu, K., C.1 aSahariya, Jagrati uhttps://library.ncl.res.in/content/investigating-effect-strain-electronic-and-optical-properties-lead-free-double-perovskite02366nas a2200277 4500008004100000022001400041245014300055210006900198260000800267300001100275490000900286520137600295653001801671653002101689653002801710653003201738653001401770100002701784700003001811700002001841700002001861700002401881700002801905700002401933856013101957 2020 eng d a0022-286000aInvestigation of bond topological and electrostatic properties of plumbagin molecule: an experimental and theoretical charge density study0 aInvestigation of bond topological and electrostatic properties o cNOV a1287140 v12203 a

Plumbagin is a naturally occurring derivative with several medicinal properties including antioxidants, antifungal, antimalarial, leprosy and antitumor properties; their structural and electrostatic properties are yet to be determined. The crystal structure of plumbagin has been solved; it shows that the compound crystallizes in P2(1)/c space group with two molecules in the asymmetric unit. The electron density distribution of both molecules have determined from multipole model refinement. Among all the C-O bonds of both molecules (I & II), the OH group connected C-O bond and the methyl group connected C-C bond exhibits less electron density and the negative Laplacian of electron density as well. Further, the electrostatic potential (ESP) surface of two plumbagin molecules show some difference in their electronegative regions. The carbonyl O-atoms exhibit high electronegative ESP regions which are the key reactive locations of plumbagin when bind with the active site of target protein and in the ESP map, an aromatic pi-cloud also observed in one of the molecule. The electron density distribution of O-H center dot center dot center dot O intermolecular interactions between the molecules I and II, reveals that these interactions are found very stronger than the other interactions in the crystal. (C) 2020 Elsevier B.V. All rights reserved.

10aDipole moment10aElectron density10aElectrostatic potential10aintermolecular interactions10aPlumbagin1 aKalaiarasi, Chinnasamy1 aSivanandam, Magudeeswaran1 aSuganya, Suresh1 aChristy, George1 aGonnade, Rajesh, G.1 aHathwar, Venkatesha, R.1 aKumaradhas, Poomani uhttps://library.ncl.res.in/content/investigation-bond-topological-and-electrostatic-properties-plumbagin-molecule-experimental02123nas 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-chlorides01330nas a2200205 4500008004100000022001400041245006100055210005900116260000900175300001400184490000700198520069300205100002200898700001700920700001800937700002600955700002500981700002501006856009301031 2020 eng d a0022-326300aIron-catalyzed direct julia-type olefination of alcohols0 aIroncatalyzed direct juliatype olefination of alcohols cAUG  a9876-98860 v853 a

Herein, we report an iron-catalyzed, convenient, and expedient strategy for the synthesis of styrene and naphthalene derivatives with the liberation of dihydrogen. The use of a catalyst derived from an earth-abundant metal provides a sustainable strategy to olefins. This method exhibits wide substrate scope (primary and secondary alcohols) functional group tolerance amino, nitro, halo, alkoxy, thiomethoxy, and S- and N-heterocyclic compounds) that can be scaled up. The unprecedented synthesis of 1-methyl naphthalenes proceeds via tandem methenylation/double dehydrogenation. Mechanistic study shows that the cleavage of the C-H bond of alcohol is the rate-determining step.

1 aLandge, Vinod, G.1 aBabu, Reshma1 aYadav, Vinita1 aSubaramanian, Murugan1 aGupta, Virendrakumar1 aBalaraman, Ekambaram uhttps://library.ncl.res.in/content/iron-catalyzed-direct-julia-type-olefination-alcohols02478nas a2200157 4500008004100000245010500041210006900146260000800215300002400223490000600247520186600253100002502119700002302144700002302167856013002190 2020 eng d00aIsolation of potent alpha-glucosidase inhibitor from a novel marine bacterium Arthrobacter enclensis0 aIsolation of potent alphaglucosidase inhibitor from a novel mari cFEB aArticle number: 4740 v23 a

Alpha-glucosidases are involved in the hydrolyzation of glycosidic bond of di- or oligo-saccharides into mono-saccharides, thus help in the breakdown and absorption of sugars. Inhibition of alpha-glucosidases by inhibitors tend to slow break down and release of sugars into the bloodstream and can be used as therapeutic agents in the treatment of diabetes and obesity. In particular, some of the inhibitors are used in the treatment mainly acarbose, voglibose, and miglitol. In this study, we have reported the alpha-glucosidase inhibitory compound from a newly described marine bacterium Arthrobacter enclensis. The purified compound from A. enclensis was identified by HPLC, and further FTIR and tandem mass spectrometry (MS/MS) methods. The purified compound was annotated and identified by a Web tool CFM-ID (Competitive Fragmentation Modeling for Metabolite Identification). From analysis it was found that the compound showed high similarity with acarbose which is a C7N aminocyclitol compound. Further, we analyze the draft genome of A. enclensis using anti-SMASH. We observed that it matches the homology with biosynthetic gene cluster of acarviostatin and acarbose with 11% and 7% respectively. We demonstrated that, the purified compound from A. enclensis shows the inhibitory activity against alpha-glucosidase with an IC50 value of 500 ± 0.142 μg/ml as compared to standard acarbose, which showed an IC50 value of 200 ± 0.012 μg/ml. This result suggests that A. enclensis has a tendency to produce a C7N aminocyclitol like molecule which matched to acarbose and it uses different biosynthetic gene cluster for the synthesis of C7N aminocyclitol like molecule, which can be further used for the production and treatment purpose.

1 aMawlankar, Rahul, B.1 aDharne, Mahesh, S.1 aDastager, Syed, G. uhttps://library.ncl.res.in/content/isolation-potent-alpha-glucosidase-inhibitor-novel-marine-bacterium-arthrobacter-enclensis01561nas a2200145 4500008004100000245009600041210006900137260000800206490000600214520099000220100002601210700002401236700003001260856012501290 2020 eng d00aIsothermal cold crystallization kinetics of borassus powder/poly(lactic acid) biocomposites0 aIsothermal cold crystallization kinetics of borassus powderpolyl cFEB0 v33 a

Poly(lactic acid) (PLA) is an important bioplastic which is semicrystalline with very slow crystallization rate. Therefore, the processed PLA products are usually amorphous and transparent with low mechanical properties. Currently, research efforts are focused on enhancing the crystallization rate of PLA. In this work, natural borassus fibers are incorporated into PLA and the isothermal cold crystallization kinetics is investigated using differential scanning calorimetry and Avrami equation. The isothermal cold crystallization studies revealed that, the relative crystallinity increases with the increasing content of borassus. The Avrami exponent “n” was determined ~2.0 indicated the one‐dimensional crystal growth with rod‐like geometry. The overall crystallization rate increased due to the borassus content and was expressed by crystallization halftime (t1/2). This study clearly showed that borassus fibers act as nucleating agent.

1 aMarathe, Yogesh, Nana1 aChellaswamy, Ramesh1 aBadiger, Manohar, Virupax uhttps://library.ncl.res.in/content/isothermal-cold-crystallization-kinetics-borassus-powderpolylactic-acid-biocomposites02085nas a2200181 4500008004100000245009100041210006900132260000800201300001200209490000800221520144200229100002001671700003001691700001701721700002301738700002101761856012101782 2021 eng d00aIce-colloidal templated carbon host for highly efficient, dendrite free Li metal anode0 aIcecolloidal templated carbon host for highly efficient dendrite cJUL a256-2650 v1793 a

With its high theoretical specific capacity value, lithium metal itself would be an ideal anode material for rechargeable Li-ion batteries (LIBs). However, practical application of lithium metal is obstructed due to lithium dendrite growth during cycling leads to unstable SEI formation, volume fluctuation and safety hazard. Herein, we have developed a novel high surface area carbon network with both meso (∼20 nm) and micron (∼1–2 μm) size porosity, via ice-colloidal templating, as a scaffold for stable lithium metal anode mitigating lithium dendrite formation. The 3D porous nitrogen doped carbon (3D PNC) network is capable of lithium deposition equivalent to 10 mAhcm−2 at 2 mAcm−2 current density with 99.96% coulombic efficiency for 100 cycles. Moreover, 3D PNC when subjected to 3000 h of continuous plating-stripping measurements (∼700 cycles) depicts the coulombic efficiency of 99.84% with no observable dendrite growth at the current density of 2 mAcm−2 and lithium intake capacity of 5 mAhcm−2. A full cell of lithium plated 3D PNC anode with LiFePO4 shows an excellently stable performance up to 50 cycles at an input current density of 50 mAg−1, with a coulombic efficiency retention of 99.73%.

1 aPatrike, Apurva1 aKaniyamparambil, Karthika1 aWahid, Malik1 aChaturvedi, Vikash1 aShelke, Manjusha uhttps://library.ncl.res.in/content/ice-colloidal-templated-carbon-host-highly-efficient-dendrite-free-li-metal-anode01750nas 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-repellents02096nas a2200265 4500008004100000022001400041245015300055210006900208260000800277490000700285520111600292653003901408653002901447653002101476653000801497653002701505653003401532100002501566700002101591700002301612700002101635700002301656700002501679856012601704 2021 eng d a1735-207X00aImidazole/4,4 `-azopyridine bridging binuclear Ru(II) complexes: design, synthesis, bimolecular interactions and cytotoxicity against HeLa cell line0 aImidazole44 azopyridine bridging binuclear RuII complexes design cDEC0 v183 a

Binuclear Ru(II)-arene complexes [(eta(6)-pcym)(Flq)Ru(mu-im/mu-azpy)Ru(Flq)(eta(6)-p-cym)]Cl (C1-C8) (cym = cymene; Flq = fluoroquinolones; im = imidazole; azpy = 4,4 ` azo pyridine) have been synthesized and characterized by elemental analysis, molar conductivity and various spectral techniques (ESI-MS, IR, UV-Vis and H-1-NMR). The geometry of the complexes was optimized by DFT calculations, which revealed a pseudo-octahedral coordination around each metal centre. Binding of the synthesized complexes with CT-DNA and BSA was studied spectroscopically, and it has been established that the presence of two hydrophobic planar arene moieties enhances the binding efficacies of the binuclear complexes to the macromolecules, compared to their mononuclear analogues. The results of competitive binding between C1-C8 and ethidium bromide (EB) towards DNA have shown that the complexes are able to displace EB from DNA-EB adduct and interact with DNA via intercalation. The complexes display cytotoxicity against the HeLa human cervical cancer cell lines with IC50 values in the range of 30.1-120.9 mu M.

10aBinuclear ruthenium (II) complexes10aBSA binding interactions10aDFT calculations10aDNA10aFluoroquinolones (FQs)10aHeLa human cervical carcinoma1 aKhanvilkar, Priyanka1 aDash, Soumya, R.1 aPulipaka, Ramadevi1 aShirsath, Kavita1 aDevkar, Ranjitsinh1 aChakraborty, Debjani uhttps://library.ncl.res.in/content/imidazole44-azopyridine-bridging-binuclear-ruii-complexes-design-synthesis-bimolecular01654nas a2200181 4500008004100000022001400041245006900055210006900124260000800193300001200201490000700213520108400220100001501304700001801319700001601337700002301353856009601376 2021 eng d a0888-588500aImpingement dynamics of jets in a confined impinging jet reactor0 aImpingement dynamics of jets in a confined impinging jet reactor cJAN a969-9790 v603 a

The interaction of two impinging liquid jets in a confined impinging jet reactor (CUR) is explored. Multiphase flow simulations were performed using the volume of fluids (VOF) approach to investigate the impingement dynamics of liquid impinging jets, and single-phase CFD simulations have been performed to understand the turbulence and the mixing performance in the system. At identical inlet velocities, the liquid sheet formed on the impingement axis was found to move toward the liquid jet inlet of the lesser density fluid until reaching equilibrium. The formation and transient movement of liquid sheets are characterized for different jet velocities. An improved reactor geometry is proposed that reduces the wall effect on sheet formation and wall deposition on discharge points of jets. Upon breaking away from the impinging film, the two liquid phases are found to be intertwined in the form of ligaments and droplets after fragmentation of the sheet, providing a higher interfacial confirmed by performing high-throughput continuous antisolvent precipitation.

1 aPal, Sayan1 aMadane, Ketan1 aMane, Mayur1 aKulkarni, Amol, A. uhttps://library.ncl.res.in/content/impingement-dynamics-jets-confined-impinging-jet-reactor02207nas a2200157 4500008004100000022001400041245014700055210006900202260000900271300001600280490000700296520156900303100002601872700002301898856012801921 2021 eng d a2040-336400aImplication of adsorption preferences of ions and surfactants on the shape control of gold nanoparticles: a microscopic, atomistic perspective0 aImplication of adsorption preferences of ions and surfactants on cDEC  a19549-195600 v133 aShape modulation of nanoparticles is crucial for their tailored applications; however, it depends on surfactants, ions, reactants, and other additives present in the growth solution. Here we dissect the role of surfactants, their counterions (halide ions), silver ions, and gold reactant in gold nanoparticle anisotropic growth using polarizable surfaces and nanoseed molecular dynamics simulation models. Our planar surface models predict a 14%-16% increment in cetyltrimethylammonium bromide (CTAB) coverage on Au(111) and Au(100) due to the surface polarization effect. The CTAB micelle adsorbs compactly similar to that observed on non-polarizable surfaces. The cetyltrimethylammonium chloride (CTAC) micelle remains in solution leaving the polarizable gold surfaces unprotected, similar to that observed with the non-polarizable surfaces, which favors isotropic growth. The cetyltrimethylammonium iodide (CTAI) micelle adsorbs with higher surface densities than CTAB on all the surfaces. The surface polarizable penta-twinned nanoseed model predicts the total surface coverage of the cetyltrimethylammonium cation (CTA(+)), Br- and Ag+ to be around two times higher on the side as compared to the tip of the nanoseed, leading to a 2.6 times higher initial rate of adsorption of AuCl2- on the tip than on the side. Predicted CTA(+) surface densities on the tip and the side of the nanoseed are consistent with experimental results. Our simulations explain the growth mechanism of anisotropic nanoparticles and the microscopic origin of their controlled shapes.1 aMeena, Santosh, Kumar1 aMeena, Chandrakala uhttps://library.ncl.res.in/content/implication-adsorption-preferences-ions-and-surfactants-shape-control-gold-nanoparticles02109nas a2200217 4500008004100000022001400041245009700055210006900152260000800221300001200229490000800241520134500249653001401594653001401608653001901622653003201641653003101673100003601704700002801740856012301768 2021 eng d a0306-452200aImplications of valosin-containing protein in promoting autophagy to prevent tau aggregation0 aImplications of valosincontaining protein in promoting autophagy cNOV a125-1340 v4763 aand cellular degradative mechanisms modulate Tau aggregation. During aging and neu-rodegenerative disorders, the cellular proteostasis is disturbed due to impaired protective mechanisms. This results in accumulation of aberrant Tau aggregates in the neuron that leads to microtubule destabilization and neuronal degeneration. The intricate mechanisms to prevent Tau aggregation involve chaperones, autophagy, and proteasomal system have gained main focus about concerning to therapeutic intervention. However, the thor-ough understanding of other key proteins, such as Valosin-containing protein (VCP), is limited. In various neu-rodegenerative diseases, the chaperone-like activity of VCP is involved in preventing protein aggregation and mediating the degradation of aberrant proteins by proteasome and autophagy. In the case of Tau aggregation associated with Alzheimer's disease, the importance of VCP is poorly understood. VCP is known to co-localize with Tau, and alterations in VCP cause aberrant accumulation of Tau. Nevertheless, the direct mechanism of VCP in altering Tau aggregation is not known. Hence, we speculate that VCP might be one of the key modulators in preventing Tau aggregation and can disintegrate Tau aggregates by directing its clearance by autophagy. = 2021 IBRO. Published by Elsevier Ltd. All rights reserved.10aAutophagy10asegregase10aTau aggregates10aUbiquitin-proteasome system10avalosin-containing protein1 aChinnathambi, Subashchandrabose1 aGorantla, Nalini, Vijay uhttps://library.ncl.res.in/content/implications-valosin-containing-protein-promoting-autophagy-prevent-tau-aggregation02025nas a2200241 4500008004100000022001400041245016300055210006900218260000800287300001600295490000700311520115500318653001701473653001901490653001901509653002601528653001701554653001501571100002201586700002301608700002701631856012501658 2021 eng d a0944-134400aImproved photocatalytic efficiency of TiO2 by doping with tungsten and synthesizing in ionic liquid: precise kinetics-mechanism and effect of oxidizing agents0 aImproved photocatalytic efficiency of TiO2 by doping with tungst cAPR a17532-175450 v283 a

The degradation of nitroaromatics/toxic energetic compounds contaminated water is a major cause of concern. W-doped TiO2 nanoparticles (NPs) were synthesized in ionic liquid, ethyl methyl imidazolium dicyanamide (EMIM-DCA) by a solvothermal method. The developed NPs were sintered at 500 degrees C and characterized by UV-Vis-DRS, FT-IR, FE-SEM, XRD, XPS, and BET techniques. The 30-40-nm-sized NPs were subjected to photocatalytic degradation of the toxic energetic compound, tetryl (2,4,6-trinitrophenylmethylnitramine) under UV-Vis light. Various operating parameters such as the effect of concentration of catalyst, pH of feed phase, oxidizing agents, and recycling of catalyst were studied in detail. For the first time, the degradation-mechanism pathway and kinetics of tetryl were evaluated. The degradation products were precisely analyzed by using HPLC, GC-MS, and TOC techniques. The USEPA has prescribed a drinking water limit of 0.02 mg L-1, and it was found that 0.5 g of 4% W-TiO2 could totally degrade tetryl (50 mg L-1) within 8 h. The kinetic rate constant of 4% W-TiO2 was 0.356 h(-1), whereas pure TiO2 showed 0.207 h(-1).

10aIonic liquid10aNitroaromatics10aPhotocatalysis10aRecycling of catalyst10aW-doped TiO210awastewater1 aRaut, Sandesh, S.1 aKamble, Sanjay, P.1 aKulkarni, Prashant, S. uhttps://library.ncl.res.in/content/improved-photocatalytic-efficiency-tio2-doping-tungsten-and-synthesizing-ionic-liquid03123nas a2200265 4500008004100000022001400041245017300055210006900228260000800297300001100305490000700316520221700323653001202540653001102552653002302563653002302586653000902609653001802618653002402636653001402660100002002674700002302694700002202717856011802739 2021 eng d a0145-888400aImprovement in serum amylase and glucose levels in diabetic rats on oral administration of bisdemethoxycurcumin from Curcuma longa and limonoids from Azadirachta indica0 aImprovement in serum amylase and glucose levels in diabetic rats cAPR ae136740 v453 a

Curcuma longa and Azadirachta indica are traditionally used in Indian cuisine and Ayurvedic medicine as nutraceuticals against diabetes. The crude C. longa isopropanol extract, bisdemethoxycurcumin (BDMC), the purified bioactive component from C. longa, and limonoids azadiradione, gedunin from A. indica, are able to inhibit in vitro the antidiabetic target human pancreatic alpha-amylase independently. However, no reports on their in vivo efficacy in animal models exist. Thus, the antidiabetic effect of these orally administered human pancreatic alpha-amylase inhibitors was performed on streptozotocin-induced Sprague-Dawley rats. Initially, the normal rats were treated with test compounds (10-100 mg/kg of body weight) in corn oil (5 ml/kg), and as no lethality was observed in these doses, further studies were carried out with lowest concentration of 10 mg/kg of body weight. A reduction in area under curve (AUC) suggested glucose-lowering effect of these compounds in starch fed diabetic rats. The efficacy study showed a significant improvement in body weight, blood glucose levels, serum amylase, and fructosamine levels as well in other serum parameters associated with diabetes with respect to liver and renal functions. Hence, under in vivo conditions, inhibition of alpha-amylase activity by BDMC and limonoids affirms it as one of the mechanisms of action resulting in reduction of blood glucose levels. Practical applications Bisdemethoxycurcumin from C. longa and limonoids, namely, azadiradione and gedunin, from A. indica are potent inhibitors of the antidiabetic target human pancreatic alpha-amylase. Oral Starch Tolerance Test (OSTT) and 28-day efficacy study to check the effect of these orally administered inhibitors in diabetic rat models showed significant improvements in serum blood glucose and amylase levels as well as in other diabetes related serum parameters, namely, bilirubin, lipids, lactate dehydrogenase, alkaline phosphatase, and urea. The study contributes to understanding the action and efficacy of these pancreatic alpha-amylase inhibitors and suggests a potential role for them as nutraceuticals/therapeutics in management of post-prandial hyperglycemia.

10a&\#820810a&\#94510aAmylase inhibitors10aAzadiractha indica10aBDMC10aCurcuma longa10ain vivo rat studies10aLimonoids1 aRamkumar, Sudha1 aThulasiram, V., H.1 aRaviKumar, Ameeta uhttps://library.ncl.res.in/content/improvement-serum-amylase-and-glucose-levels-diabetic-rats-oral-administration02683nas a2200229 4500008004100000022001400041245010700055210006900162260000800231300001100239490000700250520191300257653001702170653001502187653001402202653001402216653002502230100002202255700002402277700002202301856013002323 2021 eng d a1350-417700aImproving efficiency for removal of ammoniacal nitrogen from wastewaters using hydrodynamic cavitation0 aImproving efficiency for removal of ammoniacal nitrogen from was cJAN a1053060 v703 a

The present study reports significant improvements in the removal of ammoniacal nitrogen from wastewater which is an important problem for many industries such as dyes and pigment, distilleries and fisheries. Pilot plant studies (capacity, 1 m(3)/h) on synthetic wastewater using 4-amino phenol as model nitrogen containing organic compound and two real industrial effluents of high ammoniacal nitrogen content were carried out using hydrodynamic cavitation. Two reactor geometries were evaluated for increased efficiency in removal-orifice and vortex diode. Effect of initial concentration (100-500 mg/L), effect of pressure drop (0.5-5 bar) and nature of cavitating device (linear and vortex flow for cavitation) were evaluated along with effect of salt content, effect of hydrogen peroxide addition and aeration. Initial concentration was found to have significant impact on the extent of removal: similar to 5 g/m(3) removal for initial concentration of 100 mg/L and up to 12 g/m(3) removal at high concentration of 500 mg/L. Interestingly, significant improvement of the order of magnitude (up to 8 times) in removal of ammoniacal nitrogen could be obtained by sparging air or oxygen in hydrodynamic cavitation and a very high removal of above 80% could be achieved. The removal of ammoniacal nitrogen by vortex diode was also found to be effective in the industrial wastewaters and results on two different effluent samples of distillery industry indicated up to 75% removal, though with longer time of treatment compared to that of synthetic wastewater. The developed methodology of hydrodynamic cavitation technology with aeration and vortex diode as a cavitating device was found to be highly effective for improving the efficiency of the conventional cavitation methods and hence can be highly useful in industrial wastewater treatment, specifically for the removal of ammoniacal nitrogen.

10aAmino phenol10aCavitation10aOxidation10apollution10aWastewater treatment1 aPatil, Pravin, B.1 aBhandari, Vinay, M.1 aRanade, Vivek, V. uhttps://library.ncl.res.in/content/improving-efficiency-removal-ammoniacal-nitrogen-wastewaters-using-hydrodynamic-cavitation02099nas a2200205 4500008004100000245011800041210006900159260000900228300001400237490000700251520137300258100001801631700001801649700002001667700001801687700001501705700002401720700001901744856013001763 2021 eng d00aImproving the optical and thermoelectric properties of Cs2InAgCl6 with heavy substitutional doping: a DFT insight0 aImproving the optical and thermoelectric properties of Cs2InAgCl cFEB  a5521-55280 v113 a

The next-generation indium-based lead-free halide material Cs2InAgCl6 is promising for photovoltaic applications due to its good air stability and non-toxic behavior. However, its wide bandgap (>3 eV) is not suitable for the solar spectrum and hence reduces its photoelectronic efficiency for device applications. Here we report a significant bandgap reduction from 2.85 eV to 0.65 eV via substitutional doping and its effects on the optoelectronic and opto-thermoelectric properties from a first-principles study. The results predict that Sn/Pb and Ga and Cu co-doping will enhance the density of states significantly near the valence band maximum (VBM) and thus reduce the bandgap via shifting the VBM upward, while alkali metals (K/Rb) slightly increase the bandgap. A strong absorption peak near the Shockley-Queisser limit is observed in the co-doped case, while in the Sn/Pb-doped case, we notice a peak in the middle of the visible region of the solar spectrum. The nature of the bandgap is indirect with Cu-Ga/Pb/Sn doping, and a significant reduction in the bandgap, from 2.85 eV to 0.65 eV, is observed in the case of Ga-Cu co-doping. We observe a significant increase in the power factor (PF) (2.03 mW m(-1) K-2) for the n-type carrier after Pb-doping, which is similar to 3.5 times higher than in the pristine case (0.6 mW m (-1) K-2) at 500 K.

1 aBhamu, K., C.1 aHaque, Enamul1 aPraveen, C., S.1 aKumar, Nandha1 aYumnam, G.1 aHossain, Md., Anwar1 aSharma, Gautam uhttps://library.ncl.res.in/content/improving-optical-and-thermoelectric-properties-cs2inagcl6-heavy-substitutional-doping-dft02401nas a2200301 4500008004100000022001400041245011100055210006900166260000800235300001200243490000700255520143200262653001301694653002201707653002501729653000901754653001401763100002301777700002701800700002101827700002201848700002201870700002301892700001901915700002301934700001701957856012501974 2021 eng d a1573-409900aIn silico studies, synthesis and antitubercular activity of some novel quinoline - azitidinone derivatives0 aIn silico studies synthesis and antitubercular activity of some  cJAN a134-1430 v173 a

Background: Diarylquinolines like Bedaquiline have shown promising antitubercular activity by their action of Mycobacterial ATPase. Objective: The structural features necessary for a good antitubercular activity for a series of quinoline derivatives were explored through computational chemistry tools like QSAR and combinatorial library generation. In the current study, 3-Chloro-4-(2-mercaptoquinoline-3-yl)-1-substitutedphenylazitidin-2-one derivatives have been designed and synthesized based on molecular modeling studies as anti-tubercular agents. Methods: 2D and 3D QSAR analyses were used to designed compounds having a quinoline scaffold. The synthesized compounds were evaluated against active and dormant strains of Mycobacterium tuberculosis (MTB) H37 Ra and Mycobacterium bovis BCG. The compounds were also tested for cytotoxicity against MCF-7, A549 and Panc-1 cell lines using MTT assay. The binding affinity of designed compounds was gauged by molecular docking studies. Results: Statistically significant QSAR models generated by the SA-MLR method for 2D QSAR exhibited r(2) = 0.852, q(2) = 0.811, whereas 3D QSAR with SA-kNN showed q(2) = 0.77. The synthesized compounds exhibited MIC in the range of 1.38-14.59(mu g/ml). These compounds showed some crucial interaction with MTB ATPase. Conclusion: The present study has shown some promising results which can be further explored for lead generation.

10acombilib10aMolecular docking10amycobacterial ATPase10aQSAR10aQuinoline1 aChitre, Trupti, S.1 aAsgaonkar, Kalyani, D.1 aVikhe, Amrut, B.1 aPatil, Shital, M.1 aGarud, Dinesh, R.1 aKhedkar, Vijay, M.1 aSarkar, Dhiman1 aNawale, Laxman, U.1 aYeware, Amar uhttps://library.ncl.res.in/content/silico-studies-synthesis-and-antitubercular-activity-some-novel-quinoline-azitidinone02460nas a2200193 4500008004100000022001400041245009800055210006900153260000900222300001400231490000700245520177300252100002702025700002502052700002402077700001902101700002402120856012202144 2021 eng d a1754-569200aIn situ polymerization process: an essential design tool for lithium polymer batteries dagger0 aIn situ polymerization process an essential design tool for lith cMAY  a2708-27880 v143 a

Polymer electrolytes (PEs), a type of solid-state electrolytes (SSEs), have been in contention for nearly half a century to replace organic liquid electrolytes (LEs) that are used in state-of-the-art lithium-ion batteries (LIBs). They are envisaged to accelerate the industrial-scale production of safe, energy-dense, flexible, and thin lithium polymer batteries (LPBs). LPBs are expected to be widely employed for electric propulsion and other futuristic applications, such as flexible electronics and the Internet of Things (IoT). Even though several polymer architectures and chemistries have been attempted so far, PEs that can outperform LEs remain a real challenge. Apart from inadequate Li+-ion transport properties, challenges concerning the integration of PEs and the engineering of compatible, robust, and durable interfaces and interphases at both the electrodes of LPBs must be appropriately addressed. Recently, the in situ polymerization process has been widely employed as a robust fabrication tool for surpassing the intricacies related to the integration of PEs in LPBs. Hence, in this review, we focus on the in situ polymerization processes that employ various polymerization methods (e.g., free-radical polymerization, ionic polymerization, electropolymerization, condensation polymerization, etc.), functional monomers and oligomers (e.g., acrylate, methacrylate, allyl and vinyl ethers, epoxides, etc.), and PE integration strategies for the fabrication of lithium (ion and metal) polymer batteries (LIPBs and LMPBs). Additionally, this review also evaluates the approaches that have been developed until now to implement the in situ processing of LPBs from large-sized pouch cells to flexible-/printable-batteries and even microbatteries.

1 aVijayakumar, Vidyanand1 aAnothumakkool, Bihag1 aKurungot, Sreekumar1 aWinter, Martin1 aNair, Jijeesh, Ravi uhttps://library.ncl.res.in/content/situ-polymerization-process-essential-design-tool-lithium-polymer-batteries-dagger02183nas a2200253 4500008004100000022001400041245012000055210006900175260000800244300001200252490000600264520129000270653002101560653001501581653001301596653003001609100002801639700002701667700002901694700002901723700002501752700002401777856012801801 2021 eng d a2366-748600aIn situ preparation of ionomer as a tool for triple-phase boundary enhancement in 3D graphene supported Pt catalyst0 aIn situ preparation of ionomer as a tool for triplephase boundar cJAN a20001250 v53 a

For improving the performance of platinum electrocatalysts in polymer electrolyte membrane fuel cells (PEMFCs), it is important to enhance the Pt utilization level in the catalyst systems. A high performing electrocatalyst (Pt/3DNG) is developed for PEMFC applications by using nitrogen-doped 3D graphene (3DNG) as the support material and an in situ grafted active ``triple-phase boundary'' to more precisely control the formation of the proton conducting ionomer interface at the active sites. Considering the 3D morphology of the system, during the electrode fabrication for realistic single-cell evaluation, the concept of in situ generation of the proton conducting-ionomer based ``active triple-phase boundary'' is introduced, which could potentially replace the conventional method of using Nafion ionomer for the electrode preparation. The monomers owing to their small-size can access the pores and inner regions of the 3DNG support, which on UV-curing, undergo polymerization and transform into an ionomer with an extended interfacial network into the nanoregimes of 3DNG. Single cell evaluation of the membrane electrode assembly in a high-temperature PEMFC by using phosphoric acid doped polybenzimidazole membrane demonstrates the utility of the present strategy.

10aelectrocatalysts10afuel cells10agraphene10aoxygen reduction reaction1 aGangadharan, Pranav, K.1 aVijayakumar, Vidyanand1 aNediyirakkal, Shijil, A.1 aFernandez, Roshni, Tresa1 aSiddharthan, Adhrika1 aKurungot, Sreekumar uhttps://library.ncl.res.in/content/situ-preparation-ionomer-tool-triple-phase-boundary-enhancement-3d-graphene-supported-pt01522nas a2200193 4500008004100000245010600041210006900147260000800216300001400224490000700238520084100245100002001086700002101106700001501127700001901142700001901161700002101180856012701201 2021 eng d00aIn vitro antitubercular screening and in silico study of germacradienolide from blainvillea latifolia0 aIn vitro antitubercular screening and in silico study of germacr cJAN a3129-31330 v333 aBioassay-guided isolation from acetone extract of Blainvillea latifolia yielded one compound. The acetone extract, fractions and the compound 1 were investigated for antitubercular activity against Mycobacterium tuberculosis H37Ra. Compound 1 showed the activity with IC50 and MIC values at 8.9 and >100 μg/mL. However, the acetone extract of Blainvillea latifolia was inactive against two Gram negative (E. coli, P. flurescence) and two Gram-positive (S. aureus, B. subtilis) bacterial strains. Hence, it was concluded that the extract and the compound 1 are specifically active against MTB and not against bacterial strains. Molecular docking study was performed against crucial mycobacterial target MtInhA to gain an insight into the binding mode and the thermodynamic interactions governing the binding affinity of this molecule. 1 aHonmore, Varsha1 aKalyankar, Vidya1 aNatu, Arun1 aKhedkar, Vijay1 aSarkar, Dhiman1 aRojatkar, Supada uhttps://library.ncl.res.in/content/vitro-antitubercular-screening-and-silico-study-germacradienolide-blainvillea-latifolia02984nas a2200301 4500008004100000022001400041245008000055210006900135260000900204300000700213490000800220520207700228653001002305653001802315653001202333653001602345653001702361653002802378653001002406100001602416700002602432700002702458700002202485700002802507700002102535700002002556856010602576 2021 eng d a0032-093500aInfluence of domestication on specialized metabolic pathways in fruit crops0 aInfluence of domestication on specialized metabolic pathways in  cFEB  a610 v2533 a

Main conclusionDuring the process of plant domestication, the selection and traditional breeding for desired characters such as flavor, juiciness and nutritional value of fruits, probably have resulted in gain or loss of specialized metabolites contributing to these traits. Their appearance in fruits is likely due to the acquisition of novel and specialized metabolic pathways and their regulation, driven by systematic molecular evolutionary events facilitated by traditional breeding.AbstractPlants change their armory of specialized metabolism to adapt and survive in diverse ecosystems. This may occur through molecular evolutionary events, such as single nucleotide polymorphism, gene duplication and transposition, leading to convergent or divergent evolution of biosynthetic pathways producing such specialized metabolites. Breeding and selection for improved specific and desired traits (fruit size, color, taste, flavor, etc.) in fruit crops through conventional breeding approaches may further alter content and profile of specialized metabolites. Biosynthetic routes of these metabolites have been studied in various plants. Here, we explore the influence of plant domestication and breeding processes on the selection of biosynthetic pathways of favorable specialized metabolites in fruit crops. An orderly clustered arrangement of genes associated with their production is observed in many fruit crops. We further analyzed selection-based acquisition of specialized metabolic pathways comparing first the metabolic profiles and genes involved in their biosynthesis, followed by the genomic organization of such genes between wild and domesticated horticultural crops. Domestication of crop plants favored the acquisition and retention of metabolic pathways that enhanced the fruit value while eliminated those which produced toxic or unfavorable metabolites. Interestingly, unintentional reorganization of complex metabolic pathways by selection and traditional breeding processes has endowed us with flavorful, juicy and nutritionally rich fruits.

10aAroma10aDomestication10aFlavour10aFruit crops10aGene cluster10aSpecialized metabolites10aTaste1 aDar, Saleem1 aDholakia, Bhushan, B.1 aKulkarni, Abhijeet, P.1 aOak, Pranjali, S.1 aShanmugam, Dhanasekaran1 aGupta, Vidya, S.1 aGiri, Ashok, P. uhttps://library.ncl.res.in/content/influence-domestication-specialized-metabolic-pathways-fruit-crops02537nas a2200193 4500008004100000245019700041210006900238260000800307300001200315490000800327520173600335100002502071700001502096700001802111700003602129700002802165700001902193856013102212 2021 eng d00aInfluence of sodium caseinate, maltodextrin, pectin and their Maillard conjugate on the stability, in vitro release, anti-oxidant property and cell viability of eugenol-olive oil nanoemulsions0 aInfluence of sodium caseinate maltodextrin pectin and their Mail cJUL a158-1700 v1833 a

The influence of protein (sodium caseinate-SC), polysaccharide (maltodextrin-MD; pectin-PC) and their Maillard conjugates (sodium caseinate maltodextrin conjugate-SCMDC; sodium caseinate pectin conjugate-SCPCC) were studied on the physico-chemical and biological properties of eugenol nanoemulsions/powder. The chemical composition was optimized using Taguchi design. The particles size of eugenol nanoemulsions with SC, MD, PC, SCMDC and SCPCC were 104.6, 323.5, 1872, 181.7, and 454.4 nm, respectively while their zeta potentials were -31.2, -28.5, -21.4, -40.1 and -25.1 mV, respectively. Turbidity studies revealed higher stability of nanoemulsion prepared with Maillard conjugate (SCMDC) compared to protein or polysaccharides alone. The dispersion of SCMDC eugenol nanoparticles in buffer was prepared to study its stability at different pH (3.0, 5.0, and 7.0) and temperature (4°, 37°, 60 °C) range. In-vitro enzymatic release study showed 31 and 74% release of eugenol after 6 h at pH 2.4 and 7.4, respectively. In vitro antioxidant capacity of SCMDC encapsulated eugenol was higher than native eugenol, as demonstrated by free radical scavenging assays. In comparison to native eugenol, E:SCMDC eugenol showed reduced toxicity. These findings suggested that nanoencapsulated eugenol (E:SCMDC) have a huge potential in nutraceutical and therapeutic applications.

1 aNagaraju, Pramod, G.1 aSindhu, P.1 aDubey, Tushar1 aChinnathambi, Subashchandrabose1 aPriyadarshini, Poornima1 aRao, Pooja, J. uhttps://library.ncl.res.in/content/influence-sodium-caseinate-maltodextrin-pectin-and-their-maillard-conjugate-stability-vitro02178nas 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-improved01964nas a2200181 4500008004100000022001400041245014500055210006900200260000900269300001200278490000600290520127700296100002201573700001801595700001701613700002301630856012901653 2021 eng d a2516-023000aInkjet printing of silver nanowires on flexible surfaces and methodologies to improve the conductivity and stability of the printed patterns0 aInkjet printing of silver nanowires on flexible surfaces and met cJAN  a240-2480 v33 a

Silver nanowires (AgNWs) are known to be used for printing on rigid as well as flexible surfaces. Here we have developed a systematic approach for using AgNWs synthesized by the polyol method for printing on flexible surfaces using a simple inkjet printing method. Optimized ink formulation used in this work comprises a mixture of Ag NWs suspended in ethylene glycol directly taken after synthesis and isopropyl alcohol. Using such formulation saves time and loss of material while transferring to other solvents, which is the usual practice. The printed patterns demonstrate high conductivity and stability over many months, which can revolutionize the applications of functional nanomaterials in low-cost printed electronics. The importance of fragmentation of nanowires only to achieve specific aspect ratios, to facilitate easy jetting and to prevent clogging is demonstrated. Varied concentrations (10 mg mL(-1) to 50 mg mL(-1)) of Ag NWs are used in ink formulations in order to print highly conductive patterns (resistance < 50 Omega sq(-1)) in a minimal number of passes. The same composition was also seen to facilitate simple and time-efficient nano-welding at room temperature, which improves the conductivity and stability of the printed patterns.

1 aPatil, Prathamesh1 aPatil, Suneha1 aKate, Prachi1 aKulkarni, Amol, A. uhttps://library.ncl.res.in/content/inkjet-printing-silver-nanowires-flexible-surfaces-and-methodologies-improve-conductivity01902nas 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-photocatalytic03064nas a2200229 4500008004100000022001400041245006500055210006300120260000900183300001100192490000800203520233200211653001302543653002802556653002702584653002902611653003102640653001702671100002702688700002402715856009502739 2021 eng d a0014-305700aInsertion copolymerization of functional olefins: Quo Vadis?0 aInsertion copolymerization of functional olefins Quo Vadis cJAN  a1101830 v1433 a

Functional polyethylene is a specialty polymer with unique set of properties and caters to a niche market. Currently, it is manufactured using high-pressure, high-temperature radical polymerization, or post-reactor (indirect) modification methods. Insertion copolymerization of functional olefins with ethylene provides a low pressure, direct route to prepare functional polyethylenes. However, insertion copolymerization of functional olefins with ethylene poses several impediments and requires special considerations. This review presents the current strategies, examines the progress, and attempts to gauge the commercial potential of direct synthesis of functional polyethylene. The performance of late transition metal catalysts derived from a-diimine, imine-phenolate, phosphine-sulfonate, bis-phosphine-mono-oxide, carbene-phenolate, phosphine-phenolate and their derivatives in the insertion copolymerization of functional olefins with ethylene is evaluated. While catalyst designing is crucial, incorporation of polar olefins that can serve an additional purpose is equally important. Therefore, we have organized the review in the following sections, polar alkenes with- acrylates, acrylic acids, acetates, nitriles, ethers, halides, two functional groups, cross-linking groups, dynamic interactions/self-healing properties, additional function/purpose, renewable functional olefins, and examine the progress. Among these, acrylates have been most intensively investigated and have been successfully incorporated in the polyethylene main-chain. Ethylene, methyl acrylate copolymers prepared by direct copolymerization reveal comparable melting temperature to that of LLDPE (at similar co-monomer content) and unfold the commercial potential of these materials. Recent developments on the insertion copolymerization of renewable functional olefins and di-functional olefins have elicited significant interest. This strategy is being viewed as a means of reducing environmental impact and enabling high functional group density at the same extent of incorporation. The overview thus offers a succinct account of insertion copolymerization of functional olefins, sheds light on the copolymer microstructure/material properties, and initiates a discussion on the commercial potential of functional polyethylene.

10aCatalyst10aFunctional polyethylene10afunctional polyolefins10aHydrophilic polyethylene10ainsertion copolymerization10aPolyethylene1 aBirajdar, Rajkumar, S.1 aChikkali, Samir, H. uhttps://library.ncl.res.in/content/insertion-copolymerization-functional-olefins-quo-vadis06307nas 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-cov201612nas a2200229 4500008004100000022001400041245009200055210006900147260000900216300001100225490000600236520083200242653003301074653002601107653003001133653004001163653002801203100002501231700001501256700001701271856009401288 2021 eng d a2296-264600aInsights into chemical reactions at the beginning of the universe: from HeH+ to H-3 (+)0 aInsights into chemical reactions at the beginning of the univers cJUN  a6797500 v93 aAt the dawn of the Universe, the ions of the light elements produced in the Big Bang nucleosynthesis recombined with each other. In our present study, we have tried to mimic the conditions in the early Universe to show how the recombination process would have led to the formation of the first ever formed diatomic species of the Universe: HeH+, as well as the subsequent processes that would have led to the formation of the simplest triatomic species: H-3 (+). We have also studied some special cases: higher positive charge with fewer number of hydrogen atoms in a dense atmosphere, and the formation of unusual and interesting linear, dicationic He chains beginning from light elements He and H in a positively charged atmosphere. For all the simulations, the ab initio nanoreactor (AINR) dynamics method has been employed.10aab initio molecular dynamics10aab initio nanoreactor10aDensity functional theory10aorigin of molecules in the universe10athe earliest lewis acid1 aDash, Soumya, Ranjan1 aDas, Tamal1 aVanka, Kumar uhttps://library.ncl.res.in/content/insights-chemical-reactions-beginning-universe-heh-h-302146nas a2200289 4500008004100000022001400041245013400055210006900189260000900258300001200267490000700279520117400286653000801460653001101468653003001479653002301509653002801532100001501560700001901575700002101594700002601615700002501641700002701666700001701693700002301710856012301733 2021 eng d a1867-388000aInsights into the nature of self-extinguishing external donors for ziegler-natta catalysis: a combined experimental and DFT study0 aInsights into the nature of selfextinguishing external donors fo cJAN  a674-6810 v133 a

Developing donors for Ziegler-Natta (ZN) catalysis to control the polymerization reaction and produce polymers with desirable properties has always been challenging due to the multi-component nature of the catalytic systems. Here, we have developed a new synthetic protocol for making two external donors, D-1 (2,2,2-trifluoroethyl myristate) and D-2 (2,2,2-trifluoroethyl palmitate) that show self-extinguishing properties, followed by a systematic DFT study to understand this peculiar property of these donors. D-1 and D-2 can undergo parallel reactions with aluminum and titanium species present in the system to produce ketones and aldehydes, which are poisons for ZN catalytic systems, thus explaining their self-extinguishing nature. The non-covalent interaction between the long alkyl chain of the donors with the surface plays a vital role in determining the donors ` self-extinguishing nature. There is a significant thermodynamic preference for the binding of the donor with the longer alkyl chain at the titanium center. The current work, therefore, provides interesting insights into how self-extinguishing donors function in ZN catalytic systems.

10aDFT10adonors10anon-covalent interactions10aself-extinguishing10aZiegler-Natta catalysis1 aRaj, Vipin1 aKumawat, Jugal1 aDhamaniya, Sunil1 aSubaramanian, Murugan1 aBalaraman, Ekambaram1 aGupta, Virendra, Kumar1 aVanka, Kumar1 aGrubbs, Robert, H. uhttps://library.ncl.res.in/content/insights-nature-self-extinguishing-external-donors-ziegler-natta-catalysis-combined02045nas a2200337 4500008004100000022001400041245014400055210006900199260000900268300001100277490000800288520095100296653001401247653001401261653001901275653000901294653001601303100002101319700001801340700001701358700002301375700002601398700002401424700002101448700001701469700002001486700003001506700002301536700001701559856013101576 2021 eng d a0926-860X00aIn-situ experimental and computational approach to investigate the nature of active site in low-temperature CO-PROX over CuOx-CeO2 catalyst0 aInsitu experimental and computational approach to investigate th cAUG  a1183050 v6243 aPreferential oxidation (PROX) of carbon monoxide (CO) in presence of excess hydrogen is a necessity to prevent poisoning of the Pt-anode by CO in PEMFCs (Polymer Electrolyte Membrane Fuel Cell). A highly active catalyst, 5 wt% Cu-CeO2 showed 100 % CO conversion at 65 degrees C without any undesirable oxidation of H-2. The catalyst showed no deactivation even after 100 h on stream, making it viable for practical fuel cell application. Operando EPR in the PROX reaction condition revealed highly dispersed mixed valent cations with oxygen vacancies, responsible for the low-temperature PROX activity. At the active site, both Cu and Ce ions were shown to reversibly change their valence states to facilitate the abstraction of bridging lattice oxygen for CO oxidation to CO2. This surface oxygen mediated CO oxidation was found to be much faster than that of H-2 to H2O, which could explain the complete selectivity of oxygen for CO2 formation.10aCuOx-CeO210ainterface10aOxygen vacancy10aPROX10aSynergistic1 aAdak, Shubhadeep1 aRabeah, Jabor1 aRanjan, Ravi1 aKhan, Tuhin, Suvra1 aPoddar, Mukesh, Kumar1 aGupta, Rishi, Kumar1 aSasaki, Takehiko1 aKumar, Sagar1 aBordoloi, Ankur1 aGopinath, Chinnakonda, S.1 aBruckner, Angelika1 aBal, Rajaram uhttps://library.ncl.res.in/content/situ-experimental-and-computational-approach-investigate-nature-active-site-low-temperature01855nas a2200205 4500008004100000245011700041210006900158260000900227300000600236490000600242520110000248100003201348700002501380700003001405700001601435700001601451700003101467700002101498856013001519 2021 eng d00aIntegrated genetic and metabolic landscapes predict vulnerabilities of temozolomide resistant glioblastoma cells0 aIntegrated genetic and metabolic landscapes predict vulnerabilit cJAN  a20 v73 a

Metabolic reprogramming and its molecular underpinnings are critical to unravel the duality of cancer cell function and chemo-resistance. Here, we use a constraints-based integrated approach to delineate the interplay between metabolism and epigenetics, hardwired in the genome, to shape temozolomide (TMZ) resistance. Differential metabolism was identified in response to TMZ at varying concentrations in both the resistant neurospheroidal (NSP) and the susceptible (U87MG) glioblastoma cell-lines. The genetic basis of this metabolic adaptation was characterized by whole exome sequencing that identified mutations in signaling pathway regulators of growth and energy metabolism. Remarkably, our integrated approach identified rewiring in glycolysis, TCA cycle, malate aspartate shunt, and oxidative phosphorylation pathways. The differential killing of TMZ resistant NSP by Rotenone at low concentrations with an IC50 value of 5 nM, three orders of magnitude lower than for U87MG that exhibited an IC50 value of 1.8 mM was thus identified using our integrated systems-based approach.

1 aImmanuel, Selva, Rupa Chris1 aGhanate, Avinash, D.1 aParmar, Dharmeshkumar, S.1 aYadav, Ritu1 aUthup, Riya1 aPanchagnula, Venkateswarlu1 aRaghunathan, Anu uhttps://library.ncl.res.in/content/integrated-genetic-and-metabolic-landscapes-predict-vulnerabilities-temozolomide-resistant01653nas a2200217 4500008004100000022001400041245014100055210006900196260000800265300001300273490000800286520083500294653002501129653004701154653001501201653003801216100001701254700001601271700001801287856013001305 2021 eng d a0026-897600aInteratomic Coulombic decay in Neon-Helium cluster: a complex absorbing potential based equation-of-motion coupled cluster investigation0 aInteratomic Coulombic decay in NeonHelium cluster a complex abso cMAY ae18843000 v1193 a

The interatomic Coulombic decay (ICD) of the Ne(2s(-1)) and Ne(2s(-1)2p(-1)) states in neon-helium dimer is studied using highly accurate complex absorbing potential based equation-of-motion coupled cluster (CAP-EOMCC) method. The ICD decay process for the Ne(2s(-1)) state in neon-helium dimer is closed at its equilibrium bond distance. However, the decay channel is open at large bond distance of 6.2 angstrom. The decay channel for the double ionised Ne(2s(-1)2p(-1)) state is open at 3.46 angstrom. From our calculations, we have noticed that the decay rate of Ne(2s(-1)2p(-1)) state in neon-helium dimer is four times faster compared to the Ne(2s(-1)) state. We have also investigated how the decay rate of Ne(2s(-1)) state in neon-helium cluster varies in the presence of different helium environment. [GRAPHICS] .

10adouble ionised state10aequation-of-motion coupled cluster (EOMCC)10aHe droplet10ainteratomic Coulombic decay (ICD)1 aGhosh, Aryya1 aPal, Sourav1 aVaval, Nayana uhttps://library.ncl.res.in/content/interatomic-coulombic-decay-neon-helium-cluster-complex-absorbing-potential-based-equation01933nas a2200217 4500008004100000022001400041245010400055210006900159260000900228300001100237490000800248520115500256653002101411653002901432653003101461100002301492700002701515700002401542700002501566856012401591 2021 eng d a0032-386100aInterconnected polyaniline nanostructures: enhanced interface for better supercapacitance retention0 aInterconnected polyaniline nanostructures enhanced interface for cJAN  a1231690 v2123 a

Polyaniline and its nanocomposites have emerged as desirable electrode materials for supercapacitors. However, achieving specific capacitance with long-term cyclic stability is still a challenge. The present study reports on novel hierarchically porous and cross-linked polyaniline synthesized by a method employing aniline (monomer) and phytic acid (dopant acid) in the presence of octyltrimethyl ammonium bromide (OTAB) surfactant. The electrochemical performance of the phytic acid doped sample has been compared with HCl doped samples, the former being superior, i.e., a specific capacitance of 523 and 325 F g(-1) at current densities of 0.25 and 10 A g(-1), respectively. Additionally, the same possess excellent cycling stability with retention of similar to 88% of its initial capacitance over 10,000 charge-discharge cycles. Further, the phytic acid doped sample exhibited a lower equivalent series resistance (0.98 Omega cm(2)) than the HCl doped sample (1.26 Omega cm(2)). These results reveal the capability of the phytic acid doped hierarchical polyaniline sample as a promising active material for electrochemical applications.

10aCyclic stability10aHierarchical polyaniline10aSupercapacitance retention1 aMooss, Vandana, A.1 aVijayakumar, Vidyanand1 aKurungot, Sreekumar1 aAthawale, Anjali, A. uhttps://library.ncl.res.in/content/interconnected-polyaniline-nanostructures-enhanced-interface-better-supercapacitance01006nas a2200169 4500008004100000022001400041245017100055210006900226260000900295300001600304490000700320520033600327100002100663700002100684700000500705856012600710 2021 eng d a0022-326300aIntermolecular interception of alpha-oxo gold carbenes of nitroalkyne cycloisomerization with 1, 2-benzo[d]isoxazole: synthesis of functionalized quinazoline 1-oxides0 aIntermolecular interception of alphaoxo gold carbenes of nitroal cAUG  a10874-108820 v863 aThe known nitrogen-transfer reagent 1,2-benzo[d]isoxazole has been used to trap the postulated a-oxo gold carbene intermediate involved in the [Au]-catalyzed internal redox process of 2-alkynylnitrobenzenes. This process led us to develop a general convergent method for the synthesis of highly functionalized quinazoline 1-oxides.1 aDhote, Pawan, S.1 aPund, Kishor, A.1 a uhttps://library.ncl.res.in/content/intermolecular-interception-alpha-oxo-gold-carbenes-nitroalkyne-cycloisomerization-1-201181nas a2200157 4500008004100000022001400041245013600055210006900191260000900260300001400269490000700283520057800290100002100868700000500889856012900894 2021 eng d a1523-706000aInterrupting the [Au]-catalyzed nitroalkyne cycloisomerization: trapping the putative alpha-oxo gold carbene with benzo[c]isoxazole0 aInterrupting the Aucatalyzed nitroalkyne cycloisomerization trap cAPR  a2632-26370 v233 a

The [Au]-catalyzed nitroalkyne cycloisomerization of 2-alkynylnitrobenzenes leading to anthranils has been interrupted by possible trapping of the postulated intermediate alpha-oxo gold carbene with an external nucleophile such as benzo[c]isoxazole (anthranil). At the outset, this provides a simple synthesis of highly functionalized 3-acyl-(2-formylphenyl)-2H-indazoles with the sequential C-O, C-N, and N-N bond formations. This provides indirect support for the existence of alpha-oxo gold carbenes in the [Au]-catalyzed internal redox processes of nitroalkynes.

1 aDhote, Pawan, S.1 a uhttps://library.ncl.res.in/content/interrupting-au-catalyzed-nitroalkyne-cycloisomerization-trapping-putative-alpha-oxo-gold02060nas a2200265 4500008004100000022001400041245010900055210006900164260000900233300001400242490000700256520119300263653001701456653001601473653001801489653002501507653001501532100001801547700002301565700001701588700001501605700002001620700002201640856013201662 2021 eng d a1861-472800aIntramolecularly double-donor-stabilized stannylene and its coordination towards Ag(I) and Au(I) centers0 aIntramolecularly doubledonorstabilized stannylene and its coordi cAUG  a2118-21250 v163 aThe intramolecularly double-donor-stabilized stannylene 1 has been synthesized from the salt-metathesis reaction between two equivalents of lithium pyridine ene-amide L1 and SnCl2. Compound 1 exhibits dipolar behavior when reacted with B(C6F5)(3) leading to the zwitterionic compound 2. The reaction of 1 with one equivalent and 0.5 equivalent of AgOTf (OTf=trifluoromethane sulfonate) result in the formation of a stannylene-AgOTf complex 3 and a homoleptic distannylene-silver ionic complex 4, respectively. Analogous to complex 4, the gold(I) complex 5 has been synthesized from the reaction between two equivalents of 1 and 0.5 equivalent of AuCl.SMe2/Me3SiOTf. Complex 5 is the first example of homoleptic stannylene-Au(I) ionic complex among the very scarce reports on stannylene-gold(I) coordination complexes. All compounds have been structurally characterized using single crystal X-ray crystallography. Solution-state characterization have been performed using multinuclear NMR techniques. Detailed DFT calculations on the optimized geometries 1 o, 3 o-5 o reveal the change in sp- hybridization on the pyramidal Sn(II) center upon metal coordination and their bonding overlaps.10acoordination10agold cation10ahybridization10aintramolecular donor10astannylene1 aChibde, Purva1 aRaut, Ravindra, K.1 aKumar, Vikas1 aDeb, Rahul1 aGonnade, Rajesh1 aMajumdar, Moumita uhttps://library.ncl.res.in/content/intramolecularly-double-donor-stabilized-stannylene-and-its-coordination-towards-agi-and-aui02882nas a2200265 4500008004100000022001400041245008500055210006900140260000900209300001600218490000700234520201500241100002302256700002302279700001802302700002002320700001802340700003202358700002302390700001802413700002102431700002702452700002302479856011402502 2021 eng d a0020-166900aIonic conductivity of Na3Al2P3O12 glass electrolytes role of charge compensators0 aIonic conductivity of Na3Al2P3O12 glass electrolytes role of cha cSEP  a12893-129050 v603 aIn glasses, a sodium ion (Na+) is a significant mobile cation that takes up a dual role, that is, as a charge compensator and also as a network modifier. As a network modifier, Na+ cations modify the structural distributions and create nonbridging oxygens. As a charge compensator, Na+ cations provide imbalanced charge for oxygen that is linked between two network-forming tetrahedra. However, the factors controlling the mobility of Na+ ions in glasses, which in turn affects the ionic conductivity, remain unclear. In the current work, using high-fidelity experiments and atomistic simulations, we demonstrate that the ionic conductivity of the Na3Al2P3O12 (Si0) glass material is dependent not only on the concentration of Na+ charge carriers but also on the number of charge-compensated oxygens within its first coordination sphere. To investigate, we chose a series of glasses formulated by the substitution of Si for P in Si0 glass based on the hypothesis that Si substitution in the presence of Na+ cations increases the number of SiOAl bonds, which enhances the role of Na as a charge compensator. The structural and conductivity properties of bulk glass materials are evaluated by molecular dynamics (MD) simulations, magic angle spinning-nuclear magnetic resonance, Raman spectroscopy, and impedance spectroscopy. We observe that the increasing number of charge-imbalanced bridging oxygens (BOs) with the substitution of Si for P in Si0 glass enhances the ionic conductivity by an order of magnitudefrom 3.7 x 10(-8) S.cm(-1) to 3.3 x 10(7) S.cm(-1) at 100 degrees C. By rigorously quantifying the channel regions in the glass structure, using MD simulations, we demonstrate that the enhanced ionic conductivity can be attributed to the increased connectivity of Na-rich channels because of the increased charge-compensated BOs around the Na atoms. Overall, this study provides new insights for designing next-generation glass-based electrolytes with superior ionic conductivity for Na-ion batteries1 aKeshri, Shweta, R.1 aGanisetti, Sudheer1 aKumar, Rajesh1 aGaddam, Anuraag1 aIllath, Kavya1 aAjithkumar, Thalasseril, G.1 aBalaji, Sathravada1 aAnnapurna, K.1 aNasani, Narendar1 aKrishnan, N., M. Anoop1 aAllu, Amarnath, R. uhttps://library.ncl.res.in/content/ionic-conductivity-na3al2p3o12-glass-electrolytes-role-charge-compensators01130nas a2200169 4500008004100000022001400041245014600055210006900201260000900270300001600279490000700295520045700302100002500759700002500784700002200809856012900831 2021 eng d a1359-734500aIron catalyzed tandem ring opening/1,6-conjugate addition of cyclopropanols with p-quinone methides: new access to gamma,gamma-diaryl ketones0 aIron catalyzed tandem ring opening16conjugate addition of cyclop cDEC  a13582-135850 v573 aAn iron(iii) catalyzed tandem ring opening/1,6-conjugate addition of cyclopropanols to p-quinone methides leading to gamma,gamma-diaryl ketones has been described. This catalytic protocol provides a novel and efficient method to access gamma,gamma-diaryl ketone derivatives in good to excellent yields with high functional group tolerance. Importantly, gamma,gamma-diaryl ketone can be further functionalized to give a versatile set of useful products.1 aShirsath, Sachin, R.1 aChandgude, Sagar, M.1 aMuthukrishnan, M. uhttps://library.ncl.res.in/content/iron-catalyzed-tandem-ring-opening16-conjugate-addition-cyclopropanols-p-quinone-methides02347nas a2200289 4500008004100000245011900041210006900160260000800229300001100237490000800248520141100256100002101667700001701688700001601705700001801721700002001739700002301759700001901782700001601801700001801817700001401835700002001849700002401869700001901893700001501912856013001927 2022 eng d00aIdentification and characterization of the key enzyme in the biosynthesis of the neurotoxin beta-ODAP in grass pea0 aIdentification and characterization of the key enzyme in the bio cMAY a1018060 v2983 a

Grass pea (Lathyrus sativus L.) is a grain legume commonly grown in Asia and Africa for food and forage. It is a highly nutritious and robust crop, capable of surviving both droughts and floods. However, it produces a neurotoxic compound, beta-N- oxalyl-L-alpha,beta-diaminopropionic acid (beta-ODAP), which can cause a severe neurological disorder when consumed as a primary diet component. While the catalytic activity associated with beta-ODAP formation was demonstrated more than 50 years ago, the enzyme responsible for this activity has not been identified. Here, we report on the identity, activity, 3D structure, and phylogenesis of this enzyme-beta-ODAP synthase (BOS). We show that BOS belongs to the benzylalcohol O-acetyltransfer-ase, anthocyanin O-hydroxycinnamoyltransferase, anthranilate N-hydroxycinnamoyl/benzoyltransferase, deacetylvindoline 4-O-acetyltransferase superfamily of acyltransferases and is structurally similar to hydroxycinnamoyl transferase. Using molecular docking, we propose a mechanism for its catalytic activity, and using heterologous expression in tobacco leaves (Nicotiana benthamiana), we demonstrate that expression of BOS in the presence of its substrates is sufficient for beta-ODAP production in vivo. The identification of BOS may pave the way toward engineering beta-ODAP-free grass pea cultivars, which are safe for human and animal consumption.

1 aGoldsmith, Moshe1 aBarad, Shiri1 aKnafo, Maor1 aSavidor, Alon1 aBen-Dor, Shifra1 aBrandis, Alexander1 aMehlman, Tevie1 aPeleg, Yoav1 aAlbeck, Shira1 aDym, Orly1 aBen-Zeev, Efrat1 aBarbole, Ranjit, S.1 aAharoni, Asaph1 aReich, Ziv uhttps://library.ncl.res.in/content/identification-and-characterization-key-enzyme-biosynthesis-neurotoxin-beta-odap-grass-pea01745nas a2200169 4500008004100000022001400041245009700055210006900152260000800221300001100229490000800240520113000248100001801378700002401396700003401420856012101454 2022 eng d a2470-004500aIdentifying structural signature of dynamical heterogeneity via the local softness parameter0 aIdentifying structural signature of dynamical heterogeneity via  cAPR a0446040 v1053 a

In this work we study the relationship between the softness of a mean-field caging potential and dynamics at the local level. We first describe the local softness, which shows a distribution, thus identifying structural heterogeneity. We show that the lifetime of the softness parameter is connected to the lifetime of the well-known cage structure in supercooled liquids. Finally, our theory predicts that the local softness and the local dynamics is causal below the onset temperature where there is a decoupling between the short and long time dynamics, thus allowing a static description of the cage. With the decrease in temperature, the correlation between structure and dynamics increases. The study shows that at lower temperatures, the structural heterogeneity increases, and since the structure becomes a better predictor of the dynamics, it leads to an increase in the dynamical heterogeneity. We also find that the softness of a hard, immobile region evolves with time and becomes soft and eventually mobile due to the rearrangements in the neighborhood, confirming the well-known facilitation effect.

1 aSharma, Mohit1 aNandi, Manoj, Kumar1 aBhattacharyya, Sarika, Maitra uhttps://library.ncl.res.in/content/identifying-structural-signature-dynamical-heterogeneity-local-softness-parameter01968nas a2200217 4500008004100000022001400041245013000055210006900185260000800254300001100262490000800273520120800281653001601489653001901505653001901524653002501543653001901568100001801587700001801605856012701623 2022 eng d a2468-823100aImmobilization of HPW on UiO-66-NH2 MOF as efficient catalyst for synthesis of furfuryl ether and alkyl levulinate as biofuel0 aImmobilization of HPW on UiO66NH2 MOF as efficient catalyst for  cOCT a1126890 v5313 a

Phosphotungustic Acid (HPW) is an inorganic super acid, that is highly soluble in polar solvents limiting its applicability as acid catalysis. To overcome these limitations immobilization of HPW was carried out at room temperature by protonation of-NH2 group of UiO-66-NH2 MOF to UiO-66-NH2-HPW. ATR-FTIR spectroscopy and XPS results confirmed the protonation and chemical interaction between HPW and UiO-66-NH2. STEM-EDS mapping showed homogeneous distribution of HPW on UiO-66-NH2. BET and NH3-TPD confirmed the reduction in specific surface area, total pore volume, and increase in total acidity for UiO-66-NH2-HPW. Further, powder XRD, SEM, and HR-TEM prevailed that there is no change in phase and morphology after post-synthetic modification of UiO-66-NH2. The prepared catalyst is found to be effective for etherification and alcoholysis of furfuryl alcohol (FALc) to Furfuryl ether (FE) and Alkyl levulinate (AL). UiO-66-NH2-HPW has shown 97 mol % FALc conversions in ethanolic media and 31 mol% Ethyl furfuryl ether (EFE) yield and 29 mol% Ethyl lev-ulinate (EL) yield. UiO-66-NH2-HPW is also found to be efficient for the multistep conversion of Furfural (FFR) to FALc, FE, and AL.

10aAlcoholysis10aetherification10aImmobilization10aPhosphotungstic acid10aUiO-66-NH2-HPW1 aMulik, Nagesh1 aBokade, Vijay uhttps://library.ncl.res.in/content/immobilization-hpw-uio-66-nh2-mof-efficient-catalyst-synthesis-furfuryl-ether-and-alkyl02257nas a2200265 4500008004100000245015100041210006900192260000800261300000900269490000700278520133600285653001901621653002401640653001901664653001701683653001901700100001601719700002201735700002101757700002201778700002201800700001901822700001801841856013201859 2022 eng d00aImproved mucoadhesion, permeation and in vitro anticancer potential of synthesized thiolated acacia and karaya gum combination: a systematic study0 aImproved mucoadhesion permeation and in vitro anticancer potenti cOCT a68290 v273 a

Thiolation of polymers is one of the most appropriate approaches to impart higher mechanical strength and mucoadhesion. Thiol modification of gum karaya and gum acacia was carried out by esterification with 80% thioglycolic acid. FTIR, DSC and XRD confirmed the completion of thiolation reaction. Anticancer potential of developed thiomer was studied on cervical cancer cell lines (HeLa) and more than 60% of human cervical cell lines (HeLa) were inhibited at concentration of 5 mu g/100 mu L. Immobilized thiol groups were found to be 0.8511 mmol/g as determined by Ellman's method. Cytotoxicity studies on L929 fibroblast cell lines indicated thiomers were biocompatible. Bilayered tablets were prepared using Ivabradine hydrochloride as the model drug and synthesized thiolated gums as mucoadhesive polymer. Tablets prepared using thiolated polymers in combination showed more swelling, mucoadhesion and residence time as compared to unmodified gums. Thiol modification controlled the release of the drug for 24 h and enhanced permeation of the drug up to 3 fold through porcine buccal mucosa as compared to tablets with unmodified gums. Thiolated polymer showed increased mucoadhesion and permeation, anticancer potential, controlled release and thus can be utilized as a novel excipient in formulation development.

10abuccal tablets10aenhanced permeation10aivabradine HCl10amucoadhesion10athiolated gums1 aMunot, Neha1 aKandekar, Ujjwala1 aRikame, Chaitali1 aPatil, Abhinandan1 aSengupta, Poulomi1 aUrooj, Shabana1 aBilal, Anusha uhttps://library.ncl.res.in/content/improved-mucoadhesion-permeation-and-vitro-anticancer-potential-synthesized-thiolated-acacia02471nas a2200301 4500008004100000022001400041245011900055210006900174260000800243300001600251490000700267520146700274653001401741653003601755653001801791653000801809653001801817100002501835700002201860700002001882700002201902700001501924700002801939700002501967700002001992700002902012856012802041 2022 eng d a1944-824400aImprovement in oxygen evolution performance of NiFe layered double hydroxide grown in the presence of 1T-Rich MoS20 aImprovement in oxygen evolution performance of NiFe layered doub cJUL a31951-319610 v143 a

NiFe layered double hydroxide (NiFe LDH) grown in the presence of MoS2 (rich in 1T phase) shows exceptional performance metrics for alkaline oxygen evolution reaction (OER) in this class of composites. The as-prepared NiFe LDH/MoS2 composite (abbreviated as MNF) exhibits a low overpotential (eta(10)) of 190 mV; a low Tafel slope of 31 mV dec(-1); and more importantly, a high stability in its performance manifested by the delivery of current output for 45 h. It is important to note that this could be achieved with an exceedingly low loading of 0.14 mg cm(-2). The mass activity of this composite (97 A g(-1)) is about 14 times greater than that of the conventional RuO2 (7 A g(-1) ) at eta = 200 mV. When normalized with respect to the total metal content, a mass activity of 1000 A g(-1) (eta = 300 mV) was achieved. Impedance analysis further reveals that the significant reduction in charge-transfer resistance and hence high current density (5 times greater as compared to NiFe LDH at eta = 300 mV) observed for MNF is associated with interfacial adsorption kinetics of intermediates (R-1). Significant enhancement in the intrinsic activity of MNF over LDH has been observed through normalization of current with the electrochemically active surface area. Computational studies suggest that the Ni centers in the composite act as the active sites for OER, which is well-corroborated with the observed postreaction appearance of Ni3+ species.

10aImpedance10aLDH-MoS2 hybrid electrocatalyst10amass activity10aOER10aoverpotential1 aChakraborty, Soumita1 aMarappa, Shivanna1 aAgarwal, Sakshi1 aBagchi, Debabrata1 aRao, Ankit1 aVinod, Chathakudath, P.1 aPeter, Sebastian, C.1 aSingh, Abhishek1 aEswaramoorthy, Muthusamy uhttps://library.ncl.res.in/content/improvement-oxygen-evolution-performance-nife-layered-double-hydroxide-grown-presence-1t00621nas a2200157 4500008004100000022001400041245012200055210006900177260000800246300001000254490000700264100002800271700002300299700001600322856012500338 2022 eng d a0003-021X00aIn situ direct transesterification process optimization for biodiesel production from aspergillus terreus wet biomass0 aIn situ direct transesterification process optimization for biod cOCT a52-530 v991 aBed, Rashmi, Karamchand1 aRavi-Kumar, Ameeta1 aKumar, Ravi uhttps://library.ncl.res.in/content/situ-direct-transesterification-process-optimization-biodiesel-production-aspergillus02525nas 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-energy02669nas a2200229 4500008004100000022001400041245017400055210006900229260000800298300001400306490000600320520174000326653003102066653004102097653003502138653002702173653003402200653002002234100002702254700002702281856013102308 2022 eng d a2574-096200aIndoline-based donor-pi-acceptor visible-light responsive organic dyes for dye-sensitized solar cells: co-sensitization with squaraine dye for panchromatic IPCE response0 aIndolinebased donorpiacceptor visiblelight responsive organic dy cFEB a1858-18680 v53 a

A series of metal-free indoline-based donor-pi-acceptor (D-pi-A) visible-light active organic dyes, where an indoline unit wrapped with alkyl or alkyl and glycolic (TEG) groups is used as a donor, a mono- or bi-thiophene unit is used as a pi-spacer, and cyanoacrylic acid acts as an acceptor unit, have been designed and synthesized for dye-sensitized solar cell (DSSC) application. These dyes showed three absorption bands in a dichloromethane solution: the first and second transitions are observed in the UV (337-385 nm) and visible (477-514 nm) regions and correspond to pi-pi* and intramolecular charge transfer (ICT) transition, respectively, whereas the third absorption band obtained in the near-IR (629-758 nm) region has been observed for the first time for a D-pi-A type dye architecture. Furthermore, the ICT transition band for AKT dyes showed negative solvatochromism with increasing polarity of solvents. Photovoltaic characterizations for AKT dyes have been systematically studied with a cobalt electrolyte to evaluate the effect of thiophene incorporation and alkyl group substitution by the TEG group on the DSSC device performance. Here, AKT2 showed the highest DSSC efficiency of 3.16% with V-OC of 0.680 V and J(SC) of 6.24 mA/cm(2) without chenodeoxycholic acid (CDCA) in the AKT dye series, whereas DSSC efficiencies for AKT dyes were not affected much upon further addition of CDCA. Furthermore, AKT dyes were co-sensitized with a complementary optical responsive indoline-based SQS4 dye and showed enhanced efficiency. The combination of AKT2/SQS4 dyes with a ratio of 1:1 showed a maximum of 5.20% co-sensitized solar cell efficiency compared to other dye combinations with the cobalt electrolyte.

10aDye-sensitized solar cells10aindoline-based donor-pi-acceptor dye10aintramolecular charge transfer10ametal-free organic dye10apanchromatic-light absorption10aSolvatochromism1 aSingh, Ambarish, Kumar1 aNithyanandhan, Jayaraj uhttps://library.ncl.res.in/content/indoline-based-donor-pi-acceptor-visible-light-responsive-organic-dyes-dye-sensitized-solar01770nas a2200241 4500008004100000022001400041245010500055210006900160260000800229300001500237490000700252520097900259653000801238653003001246653001301276653001701289653002601306653001101332100001801343700001701361700002501378856012501403 2022 eng d a2193-580700aInfluence of catalyst reduction temperature on autogenous glycerol hydrogenolysis over NiAl catalyst0 aInfluence of catalyst reduction temperature on autogenous glycer cFEB ae2021007040 v113 a

Autogenous glycerol hydrogenolysis to 1,2-propanediol by aqueous phase reforming (APR) was investigated over supported nickel catalysts. Effect of reduction temperature on physico-chemical properties of catalysts played a significant role in tuning conversion and product selectivities. The formation of nickel aluminate (NiAl2O4) spinel phase during catalyst reduction led to rearrangement of Ni species to obtain small and stable Ni particles. The catalyst activation temperature alters the extent of reduction of multivalent Ni species (Ni-0, Ni+2/+3) which facilitated glycerol dehydration and hydrogenation while suppressing C-C cleavage and thus avoiding undesirable side products. Additionally, presence of moderate Bronsted/Lewis acid ratio of the catalyst promoted higher 1,2-PDO selectivity. In-situ glycerol hydrogenolysis involves glycerol dehydration to acetol with simultaneous reforming to H-2 and CO2 and this hydrogen converts acetol to 1,2-PDO.

10aAPR10aautogenous hydrogenolysis10aGlycerol10aPropanediols10areduction temperature10aspinel1 aPandya, Rajan1 aMane, Rasika1 aRode, Chandrashekhar uhttps://library.ncl.res.in/content/influence-catalyst-reduction-temperature-autogenous-glycerol-hydrogenolysis-over-nial02327nas a2200229 4500008004100000022001400041245016800055210006900223260000800292490000700300520143400307653003201741653003001773653002301803100001801826700001701844700002701861700004001888700001701928700002401945856012801969 2022 eng d a2194-428800aInfluence of ice templating on oxygen reduction catalytic activity of metal-free heteroatom-doped mesoporous carbon derived from polypyrrole for zinc-air batteries0 aInfluence of ice templating on oxygen reduction catalytic activi cDEC0 v103 a

The development of highly active, cost-effective, and durable, noble metal-free oxygen reduction electrocatalysts is inevitable for the full-fledged implementation of fuel cells and zinc-air batteries. This work reports the synthesis of heteroatom (N, P, S)-doped metal-free mesoporous carbon-based electrocatalyst derived from polypyrrole by combining the ice templating, freeze-drying, and carbonization processes. The correlation between the structure and electrochemical activity of the polypyrrole-derived carbon-based electrocatalyst in the presence and absence of ice templating is investigated. The optimized electrocatalyst, aided by the ice-templating and freeze-drying step, shows an onset and half-wave potential (E-1/2) of 0.94 and 0.78 V vs reversible hydrogen electrode, respectively, in an alkaline electrolyte (0.1 m KOH). Later, the application of the optimized electrocatalyst is demonstrated in a primary zinc-air battery (ZAB) cell. The results prove that the ZAB device performance based on the homemade catalyst is on par with that of the state-of-the-art Pt/C cathode. The catalyst performance is correlated with the heteroatom doping and the enhanced porosity of the sample benefitted from ice templating. Ultimately, this work depicts a facile and rational synthesis of a truly metal-free electrocatalyst for the primary ZABs that can be a potential replacement for state-of-the-art systems.

10ametal-free electrocatalysts10aoxygen reduction reaction10azinc-air batteries1 aKurian, Maria1 aGhosh, Meena1 aVijayakumar, Vidyanand1 aPuthiyaveetil, Priyanka, Pandinhare1 aTorris, Arun1 aKurungot, Sreekumar uhttps://library.ncl.res.in/content/influence-ice-templating-oxygen-reduction-catalytic-activity-metal-free-heteroatom-doped01967nas a2200265 4500008004100000022001400041245009200055210006900147260000800216300001100224490000800235520109700243653002001340653001101360653003001371653002401401100002201425700001501447700002901462700002101491700002201512700002801534700002501562856011401587 2022 eng d a0926-337300aInfluence of support textural property on CO2 to methane activity of Ni/ SiO2 catalysts0 aInfluence of support textural property on CO2 to methane activit cNOV a1216920 v3173 a

In this work, we elucidated the role of physicochemical textural properties of inert support on the catalyst ac-tivity by impregnating Ni on ordered mesoporous silica (SBA-15 and MCM-41) and non-mesoporous silica (nMPS). The catalyst Ni/SBA-15 exhibited the best CO2 conversion (83%) and product selectivity (99.9 %) followed by Ni/MCM-41 and the least by Ni/nMPS. The difference in the nature of the catalyst, degree of nanoparticle distribution and nanoparticle encapsulation by different silica support were studied by N2 adsorption-desorption and X-ray photoelectron spectroscopy (XPS) experiments. The Operando Diffused Reflec-tance Infrared Fourier Transform Spectroscopy were used to understand the variance in reaction pathway which is accredited to the textural properties of the support. The SBA-15 supported Ni catalyst followed dissociative CO pathway while MCM-41 and nMPS reacted through associative formate mechanism as major pathway. These findings provide a novel perspective on CO2 hydrogenation over Ni-silica, allowing us to tune both activity and selectivity.

10aCO2 methanation10aDRIFTS10aMesoporous silica support10aTextural properties1 aCherevotan, Arjun1 aRay, Bitan1 aChuripard, Sathyapal, R.1 aKaur, Komalpreet1 aGautam, Ujjal, K.1 aVinod, Chathakudath, P.1 aPeter, Sebastian, C. uhttps://library.ncl.res.in/content/influence-support-textural-property-co2-methane-activity-ni-sio2-catalysts02074nas a2200277 4500008004100000022001400041245013100055210006900186260000800255300001100263490000800274520114500282653001801427653001701445653001301462653002301475653001901498653002201517100002101539700002501560700001901585700002101604700002001625700002101645856013001666 2022 eng d a2468-823100aInsights into active tungsten species on Pt/W/SBA-15 catalysts for selective hydrodeoxygenation of glycerol to 1,3-propanediol0 aInsights into active tungsten species on PtWSBA15 catalysts for  cOCT a1127040 v5313 a

Diols are important class of industrial chemicals. Their synthesis from bio-resources (instead from fossil feed-stocks) is sustainable. In this study, we probed active tungsten species on Pt/W/SBA-15 catalysts for selective synthesis of 1,3-propanediol (1,3-PDO) from aqueous glycerol through a liquid-phase hydrodeoxygenation re-action. A synergistic enhancement in glycerol conversion and 1,3-PDO selectivity was observed when both Pt and W were present on the catalyst. A volcano-shape variation followed with a gradual increase in glycerol conversion and 1,3-PDO yield with W-loading (0.25-15 wt%) was observed. Pt dispersion and acidity of the catalyst dis-played similar variations with the W-loading confirming their critical role in the reaction. Structure-function relationships inferred that oligomeric WOx with moderate Bro center dot nsted acidity (predominant at 1 wt% W-loading) in contact with dispersed Pt are the active species for 1,3-PDO formation and crystalline WO3 with strong Bro center dot nsted acidity (prevalent above 4 wt% W-loading) in association with Pt nanoparticles lead to 1-propanol formation.

10a3-Propanediol10aActive sites10aGlycerol10aHydrodeoxygenation10aHydrogenolysis10aSupported Pt-WO x1 aBhowmik, Susmita1 aEnjamuri, Nagasuresh1 aSethia, Govind1 aAkula, Venugopal1 aMarimuthu, Banu1 aDarbha, Srinivas uhttps://library.ncl.res.in/content/insights-active-tungsten-species-ptwsba-15-catalysts-selective-hydrodeoxygenation-glycerol02616nas a2200265 4500008004100000022001400041245019700055210006900252260000800321300001100329490000700340520163800347653002401985653002302009653001802032653002302050653002202073100002002095700002302115700001402138700002202152700002302174700002302197856013002220 2022 eng d a2212-429200aInsights on biorational potential of Ocimum gratissimum essential oil and its binary combination with monoterpene phenol for control of rice weevil (Sitophilus oryzae) and aflatoxigenic fungi.0 aInsights on biorational potential of Ocimum gratissimum essentia cDEC a1020190 v503 a

Food grain storage is a difficult task due to insect infestation and subsequent mycotoxin contaminations which adversely affects the nutritional quality of grains and leading to economic loss. Current research focuses on contact and fumigant toxicity effects of essential oils (EO) and aroma compounds against Sitophilus oryzae and growth inhibition of aflatoxigenic fungi. The EO of Ocimum gratissimum comprised of thymol (46.8%), gamma-terpi-nene (14.04%) along with o-cymene (11.76%). Also, Cymbopogon flexuosus rich in citral (76.3%) and geraniol (84.6%) and Cymbopogon nardus having geraniol (49.24%) and geranyl acetate (20.9%) were all evaluated using a dose of 25 mu L (Conc-833.3 mu L/L air) against S. oryzae. All the compounds showed significant mortality (>95%) at 24 h of exposure. The insecticidal property of O. gratissimum oil chemotype showed a strong contact and fumigant toxicity against S. oryzae at a highest dose of 25 mu L (Conc-833.3 mu L/L air) within 24 h. It has been further evaluated on three aflatoxigenic fungal strains which showed reduction in growth and aflatoxin content (Aflatoxin B and G), which was markedly reduced upon the treatment. The binary mixture interaction of O. gratissimum oil with monoterpene phenol (carvacrol) was assessed and the specific binary mixture of 80:20 ratio (having additive property) acts as a contact insecticide with 100% mortality. Hence, essential oil of less explored Ocimum species (O. gratissimum) and its binary mixture could be deployed as potential biorational for control of rice weevil (Sitophilus oryzae) and aflatoxigenic Aspergillus spp.

10aAflatoxigenic fungi10aBinary combination10aEssential oil10aOcimum gratissimum10aSitophilus oryzae1 aRemesh, Archana1 aRaveendran, Ashika1 aBincy, K.1 aWagh, Vasudev, S.1 aDastager, Syed, G.1 aBabu, C., S. Vivek uhttps://library.ncl.res.in/content/insights-biorational-potential-ocimum-gratissimum-essential-oil-and-its-binary-combination02131nas 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-semiconductor02391nas a2200229 4500008004100000022001400041245012500055210006900180260000800249300001100257490000800268520158000276653001701856653002801873653001201901653002201913653002701935100002201962700002301984700002502007856012902032 2022 eng d a0961-953400aIntegrated chemo and bio-catalyzed synthesis of 2,5-furandicarboxylic acid from fructose derived 5-hydroxymethylfurfural0 aIntegrated chemo and biocatalyzed synthesis of 25furandicarboxyl cJUN a1064740 v1613 a

Biomass being a renewable source of energy, has emerged as an attractive target for manufacturing valuable products. These possibilities can be explored to meet the current need for degradable plastic, 2,5-furandicarboxylic acid (FDCA). Integration of chemical and biological approaches for direct biomass conversion into FDCA was evaluated in this study. 5-hydroxymethylfurfural (5-HMF) was chemo-catalytically obtained from fructose using recyclable amberlyte IR-120 as a catalyst with >98% purity. Klebsiella oxytoca NCIM 2694 bacterial strain showed the potential of converting 98% of 5-HMF into FDCA with 58% selectivity at 96 h. With optimized conditions of pH 7, 37 degrees C, 2 g whole cells, we reported 99% 5-HMF conversion to FDCA with 95% selectivity at 72 h and 2667 mg L-1 yield, with 39 mg L-1 h-1 productivity. This is the highest yield obtained with the substrate concentration as high as 3000 mg L-1 reported till date. While the bacterial tolerance to 5-HMF observed was for the highest 5-HMF concentration of 4000 mg L-1, with 99% conversion however, compromising the FDCA yield to 2447 mg L-1 and 32 mg L-1 h-1 productivity. Atom economy of 85% and E factor of 17.71 g g-1 was obtained as a measure of its efficiency and sustainability of the process. The developed process will decrease the cost by excluding any extra nutrient supplement, complete substrate utilization, highest FDCA selectivity/productivity and higher tolerance by K. oxytoca, sequentially catalyzing the oxidations by a single route for FDCA synthesis from renewables.

10abiocatalysis10aBiodegradable polyester10aBiomass10aPlatform chemical10aSustainability metrics1 aParate, Roopa, D.1 aDharne, Mahesh, S.1 aRode, Chandrashekhar uhttps://library.ncl.res.in/content/integrated-chemo-and-bio-catalyzed-synthesis-25-furandicarboxylic-acid-fructose-derived-502279nas a2200229 4500008004100000022001400041245011500055210006900170260000800239300001200247490000800259520149000267653002401757653001801781653001601799653001401815653002501829100002201854700002001876700002401896856012901920 2022 eng d a0263-876200aIntensified hydrodynamic cavitation using vortex flow based cavitating device for degradation of ciprofloxacin0 aIntensified hydrodynamic cavitation using vortex flow based cavi cNOV a623-6320 v1873 a

The present work, for the first time, establishes degradation behavior of ciprofloxacin (CIP), a widely used fluoroquinolone group of antibiotics, using vortex flow based hydro-dynamic cavitation (HC) for low to high concentrations of CIP (10 and 100 mg/L). Effect of pressure on the degradation of CIP and TOC reduction was investigated on pilot plant scale (capacity 1 m3/h). Process intensifications using aeration as well as hydrogen per-oxide (H2O2) were also investigated. While aeration did not yield any significant en-hancement, process intensification using H2O2 resulted in similar to 200% enhancement in the CIP degradation as compared to HC alone. Excellent degradations, to an extent of 79 & 95%, were achieved corresponding to high cavitational yields of 7.2 x 10-4 mg/J and 86.8 x 10-4 mg/J for CIP concentrations of 10 and 100 mg/L respectively using the process intensified approach of HC and H2O2, not reported so far for cavitating devices without moving ele-ments. The developed methodology demonstrated 4-7 times improvement in per-pass degradation and low cost with high efficiency compared to the conventional cavitation. The results clearly highlight utility of the process intensified approach using H2O2 for the degradation of CIP even at high concentrations, specifically important for pharmaceutical industries requiring zero liquid discharge norms.(c) 2022 Institution of Chemical Engineers. Published by Elsevier Ltd. All rights reserved.

10aAntibiotics removal10aciprofloxacin10aDegradation10aOxidation10aWastewater treatment1 aPatil, Pravin, B.1 aThanekar, Pooja1 aBhandari, Vinay, M. uhttps://library.ncl.res.in/content/intensified-hydrodynamic-cavitation-using-vortex-flow-based-cavitating-device-degradation01980nas a2200241 4500008004100000022001400041245013400055210006900189260000900258300001100267490000800278520113700286653001201423653003001435653002901465653001301494653001801507100002101525700002301546700002701569700002101596856012101617 2022 eng d a0378-775300aInterdigitated flow field impact on mass transport and electrochemical reaction in high-temperature polymer electrolyte fuel cell0 aInterdigitated flow field impact on mass transport and electroch cJUN  a2313190 v5323 a

The enhanced performance of Polybenzimidazole (PBI) based high-temperature polymer electrolyte fuel cell (HT-PEFC) with interdigitated flow field over the other flow fields can be a consequence of higher average pressure developed on the flow field due to dead end in the channels or faster mass transport due to pressuredriven convection in the gas diffusion layer (GDL). In the present study, the effect of average pressure on the flow field and mass transport mechanism in the GDL on the HT-PEFC performance have been systematically decoupled. Three-dimensional simulation validated by experimental studies confirm that the enhanced performance in case of the interdigitated flow field is due to faster mass transport in the GDL and not due to higher average gas pressure. The simulation studies are performed on the interdigitated flow field and compared against the parallel flow field to have an insight into the effect of key operating and geometric parameters. There exists an optimum value for channel to rib ratio and current density saturates after an air stoichiometry of 4 which is validated by experiments.

10aHT-PEFC10aInterdigitated flow field10aMass transport mechanism10apressure10astoichiometry1 aAgarwal, Harshal1 aThosar, Aniket, U.1 aBhat, Santoshkumar, D.1 aLele, Ashish, K. uhttps://library.ncl.res.in/content/interdigitated-flow-field-impact-mass-transport-and-electrochemical-reaction-high01998nas a2200349 4500008004100000022001400041245022500055210006900280260000900349300001500358490000700373520077700380653002301157653001201180653001601192653002201208653002601230653001301256100002301269700001501292700002001307700001901327700001701346700002701363700002201390700002301412700002301435700001801458700002501476700002101501856012601522 2022 eng d a0947-653900aInterplay of anion-pi(+) and pi(+)-pi(+) interactions in novel pyrido[2,1-a]isoquinolinium-based aiegens - substituent- and counterion-dependent fluorescence modulation and applications in live cell mitochondrial imaging0 aInterplay of anionpi and pipi interactions in novel pyrido21aiso cJUL  ae2022006320 v283 a

Recently, the concept of anion-pi(+) interactions has witnessed unique applications in the field of AIEgen development. In this contribution, we disclose a consolidated study of a library of N-doped ionic AIEgens accessed through silver-mediated cyclization of pyridino-alkynes. A thorough photophysical, computational and crystallographic study has been conducted to rationalize the observed substituent- and counterion-dependent fluorescence properties of these luminogens. We further elucidate the prominent role of anion-pi(+) interactions, pi(+)-pi(+) interactions and other non-covalent interactions, in inhibiting the undesired ACQ effect. Finally, we have also demonstrated the application of selected AIEgens for imaging of mitochondria in live cells.

10a1-a]isoquinolinium10aAIEgens10aanion-pi(+)10acrystal structure10amitochondrial imaging10apyrido[21 aMule, Ravindra, D.1 aRoy, Rupam1 aMandal, Koushik1 aChopra, Deepak1 aDutta, Tanoy1 aSancheti, Shashank, P.1 aShinde, Popat, S.1 aBanerjee, Somsuvra1 aKoner, Apurba, Lal1 aBhowal, Rohit1 aSenthilkumar, Beeran1 aPatil, Nitin, T. uhttps://library.ncl.res.in/content/interplay-anion-pi-and-pi-pi-interactions-novel-pyrido21-aisoquinolinium-based-aiegens01751nas a2200241 4500008004100000022001400041245009800055210006900153260000800222300001100230490000800241520096100249653001001210653001901220653002801239653001001267653001701277653001401294653001201308100002801320700003601348856012501384 2022 eng d a0171-933500aInter-relationship of Histone Deacetylase-6 with Tau-cytoskeletal organization and remodeling0 aInterrelationship of Histone Deacetylase6 with Taucytoskeletal o cAPR a1512020 v1013 aCytoskeletal elements are the key players in cellular integrity, structure, signalling and migration. Each cytoskeletal element comprises of properties with respect to its structure and stability, which serve a specific array of functions. These structures are highly dynamic and regulated by modulation via direct interaction or post-translational modifications. HDAC6 is a cytoplasmic deacetylase known to regulate a wide range of cellular functions either through its deacetylase activity or direct interaction via its C-terminal ZnF UBP domain. HDAC6 has been widely studied for its role in aggresome formation, which acts as a protective mechanism upon protein aggregation. HDAC6 is known to play a critical role in the regulation of cytoskeletal elements-microtubules and actin filaments. This review summarizes the regulatory role of HDAC6 in cytoskeletal remodeling and dynamics of neuronal cells and its significance in neurodegenerative diseases.10aActin10aCell migration10aCytoskeleton remodeling10aHDAC610aMicrotubules10aPodosomes10aZnF UBP1 aBalmik, Abhishek, Ankur1 aChinnathambi, Subashchandrabose uhttps://library.ncl.res.in/content/inter-relationship-histone-deacetylase-6-tau-cytoskeletal-organization-and-remodeling01585nas a2200241 4500008004100000022001400041245017600055210006900231260000800300300001200308490000800320520067300328653003201001653002001033653003101053653001501084653001901099100002501118700001501143700002701158700002601185856013201211 2022 eng d a1615-415000aInterrupted CuAAC-thiolation for the construction of 1,2,3-triazole-fused eight-membered heterocycles from O-/N-propargyl derived benzyl thiosulfonates with organic azides0 aInterrupted CuAACthiolation for the construction of 123triazolef cJAN a319-3250 v3643 aA copper(I)-catalyzed interrupted click-sulfenylation of O-/N-propargyl benzyl thiosulfonates with organic azides has been disclosed. The unified CuAAC-thiolation provides a wide range of triazole-fused eight-membered heterocycles in good to high (51-94%) yields under mild reaction conditions. Moreover, a three-component reaction is also achieved involving O-/N-propargyl benzyl thiosulfonates, benzyl bromide, and sodium azide to deliver fused-triazoles in 61-74% yields. From a synthetic point of view, the present protocol has been demonstrated at gram-scale reactions. A plausible mechanism is also proposed based on experimental results and control experiments.10aEight-Membered Heterocycles10aFused-Triazoles10aInterrupted-Click Reaction10aThiolation10athiosulfonates1 aReddy, Raju, Jannapu1 aWaheed, Md1 aKumari, Arram, Haritha1 aKrishna, Gamidi, Rama uhttps://library.ncl.res.in/content/interrupted-cuaac-thiolation-construction-123-triazole-fused-eight-membered-heterocycles-o-n00610nas a2200169 4500008004100000022001400041245008400055210006900139260000800208300001200216490000600228100002300234700002200257700002300279700003200302856010600334 2022 eng d a2058-988300aIntroduction to the themed collection on digitalization in reaction engineering0 aIntroduction to the themed collection on digitalization in react cMAR a792-7940 v71 aGalvanin, Federico1 aHartman, Ryan, L.1 aKulkarni, Amol, A.1 aNieves-Remacha, Maria, Jose uhttps://library.ncl.res.in/content/introduction-themed-collection-digitalization-reaction-engineering01933nas a2200253 4500008004100000022001400041245014900055210006900204260000800273300001200281490000700293520097800300653002501278653003801303653002601341653001301367653002301380653003001403100001701433700003001450700004301480700002601523856013001549 2022 eng d a0959-810300aInvestigation of domain structures in monomethoxy poly(ethylene glycol)-b-poly(caprolactone) grafted poly(acrylic acid) by NMR diffusion studies0 aInvestigation of domain structures in monomethoxy polyethylene g cAUG a976-9840 v713 a

Associating polymers developed by grafting a block copolymer of monomethoxy poly(ethylene glycol)-b-poly(caprolactone) (MPEG-b-PCL) onto poly(acrylic acid) undergo an irreversible sol-gel transition on heating. The influence of various physicochemical parameters on the thermoresponsive behaviour was examined by rheology and NMR studies. Pulsed field gradient NMR diffusion studies were performed to probe the mechanism of thermally induced gelation. Analysis of the diffusion data reveals the presence of loosely and strongly associated structures which respond differently to variation in temperature. It is observed that the polymer solution, which is visibly homogeneous, is heterogeneous on a mesoscopic scale with a distribution of domains. Detailed investigation of the thermally induced sol-gel transition shows that the mechanism of gelation involves irreversible alterations in the domain structure and size. (c) 2022 Society of Industrial Chemistry.

10aassociating polymers10ahydrophobically modified polymers10aNMR diffusion studies10aRheology10asol-gel transition10athermoresponsive polymers1 aTiwari, Neha1 aBadiger, Manohar, Virupax1 aRajamohanan, Pattuparambil, Ramanpilla1 aRavindranathan, Sapna uhttps://library.ncl.res.in/content/investigation-domain-structures-monomethoxy-polyethylene-glycol-b-polycaprolactone-grafted02685nas 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-approaches01303nas a2200217 4500008004100000022001400041245010000055210006900155260000800224300001100232490000700243520058000250653001200830653002400842653001800866653001700884653001900901100002100920700002500941856011900966 2022 eng d a2452-223600aIonic liquids for the sustainable transformation of levulinic acid to gamma-valerolactone (GVL)0 aIonic liquids for the sustainable transformation of levulinic ac cJUN a1006070 v353 a

This short review is focused on recent findings on the role of ionic liquids (ILs) in catalysing the hydrogenation of levulinic acid (LA) to gamma valerolactone (GVL), which is a cascade reaction involving more than one type of reaction. A brief introduction on green aspects of IL as a catalyst followed by various types of ILs being used for hydrogenation of LA to GVL are discussed. The unique characteristics of ILs responsible for hydrogenation reaction are also explained along with the current and upcoming scenario of IL catalysed hydrogenation of LA to GVL.

10aBiomass10aGamma valerolactone10aHydrogenation10aIonic liquid10alevulinic acid1 aKondawar, Sharda1 aRode, Chandrashekhar uhttps://library.ncl.res.in/content/ionic-liquids-sustainable-transformation-levulinic-acid-gamma-valerolactone-gvl01181nas a2200229 4500008004100000022001400041245012000055210006900175260000800244300001200252520034100264653003200605653001900637653002200656653002600678653002200704653001900726100002400745700002800769700002900797856012500826 2022 eng d a1551-700400aIridium-catalyzed synthesis of pyrazolone fused 1,4-dihydrocinnolin-3-one employing alpha-diazotized Meldrum's acid0 aIridiumcatalyzed synthesis of pyrazolone fused 14dihydrocinnolin cJAN a179-1903 a

The [Iri-catalysed carbenoid insertion and cyclization of N-arylpyrazolones has been carried out with alpha-diazotized Meldrum's acid to access tricyclic pyrazolone fused 1,4-dihydrocinnolin-3-one derivatives. Further, the selective reduction of these tricyclic derivatives has been studied under Birch reduction conditions.

10a?-diazotized Meldrum's acid10aC-H activation10acarbene Insertion10acinnoline derivatives10aN-arylpyrazolones10a[Iri-Catalysis1 aKulkarni, Anand, M.1 aMullapudi, Venkannababu1 aRamana, Chepuri, Venkata uhttps://library.ncl.res.in/content/iridium-catalyzed-synthesis-pyrazolone-fused-14-dihydrocinnolin-3-one-employing-alpha02463nas a2200241 4500008004100000022001400041245019400055210006900249260000800318300000800326490000800334520156100342653002601903653001901929653001501948653002901963653001401992100001802006700001502024700002802039700002602067856012802093 2022 eng d a0302-893300aIsoeugenol affects expression pattern of conidial hydrophobin gene RodA and transcriptional regulators MedA and SomA responsible for adherence and biofilm formation in Aspergillus fumigatus0 aIsoeugenol affects expression pattern of conidial hydrophobin ge cAPR a2140 v2043 a

Aspergillus fumigatus is one of the major pathogenic fungal species, causing life-threatening infections. Due to a limited spectrum of available antifungals, exploration of new drug targets as well as potential antifungal molecules has become pertinent. Rodlet layer plays an important role in adherence of fungal conidia to hydrophobic cell surfaces in host, which also leads to A. fumigatus biofilm formation, contributing factor to fungal pathogenicity. From decades, natural sources have been known for the development of new active molecules. The present study investigates effect of isoeugenol on genes responsible for hydrophobins (RodA), adhesion as well as biofilm formation (MedA and SomA) of A. fumigatus. Minimum inhibitory concentrations (MIC and IC50) of isoeugenol against A. fumigatus were determined using broth microdilution assay. The IC50 results showed reduced hydrophobicity and biofilm formation as well as eradication after treatment with the compound and electron micrograph data corroborated these findings. The qRT-PCR showed a significant downregulation of genes RodA, MedA, SomA and pksP involved in hydrophobicity and biofilm formation. SwissADME studies potentiated drug-like propensity for isoeugenol which formed four hydrogen bonds with low binding energy (- 4.54 kcal/mol) at the catalytic site of RodA protein studied via AutoDock4. Hence, the findings conclude that isoeugenol inhibits conidial hydrophobicity and biofilm formation of A. fumigatus and further investigations are warranted in this direction.

10aAspergillus fumigatus10aHydrophobicity10aIsoeugenol10aTranscription regulators10aVirulence1 aGupta, Lovely1 aSen, Pooja1 aBhattacharya, Asish, K.1 aVijayaraghavan, Pooja uhttps://library.ncl.res.in/content/isoeugenol-affects-expression-pattern-conidial-hydrophobin-gene-roda-and-transcriptional02788nas a2200205 4500008004100000245023500041210006900276260000800345300000900353520201500362100001802377700001702395700001802412700002002430700001802450700002202468700002302490700002202513856004702535 2022 eng d00aIsolation and characterization of chitosans from different fungi with special emphasis on zygomycetous dimorphic fungus benjaminiella poitrasii: evaluation of its chitosan nanoparticles for the inhibition of human pathogenic fungi0 aIsolation and characterization of chitosans from different fungi cJAN anull3 aThe cell wall chitosan was extracted from fungi belonging to different taxonomic classes, namely, Benjaminiella poitrasii (Zygomycetes, dimorphic), Hanseniaspora guilliermondii, Issatchenkia orientalis, Pichia membranifaciens, and Saccharomyces cerevisiae (Ascomycetes, yeasts), and Agaricus bisporus and Pleurotus sajor-caju (Basidiomycetes). The maximum yield of chitosan was 60.89 ± 2.30 mg/g of dry mycelial biomass of B. poitrasii. The degree of deacetylation (DDA) of chitosan extracted from different fungi, as observed with 1H NMR, was in the range of 70–93%. B. poitrasii chitosan exhibited the highest DDA (92.78%). The characteristic absorption bands were observed at 3450, 1650, 1420, 1320, and 1035 cm–1 by FTIR. Compared to chitosan from marine sources (molecular weight, MW, 585 kDa), fungal chitosans showed lower MW (6.21–46.33 kDa). Further, to improve the efficacy of B. poitrasii chitosan (Bp), nanoparticles (Np) were synthesized using the ionic gelation method and characterized by dynamic light scattering (DLS). For yeast and hyphal chitosan nanoparticles (BpYCNp and BpHCNp), the average particle size was <200 nm with polydispersity index of 0.341 ± 0.03 and 0.388 ± 0.002, respectively, and the zeta potential values were 21.64 ± 0.34 and 24.48 ± 1.58 mV, respectively. The B. poitrasii chitosans and their nanoparticles were further evaluated for antifungal activity against human pathogenic Candida albicans ATCC 10231, Candida glabrata NCYC 388, Candida tropicalis ATCC 750, Cryptococcus neoformans ATCC 34664, and Aspergillus niger ATCC 10578. BpHCNps showed lower MIC90 values (0.025–0.4 mg/mL) than the chitosan polymer against the tested human pathogens. The study suggested that nanoformulation of fungal chitosan, which has low molecular weight and high % DDA, is desirable for antifungal applications against human pathogens. Moreover, chitosans as well as their nanoparticles were found to be hemocompatible and are therefore safe for healthcare applications.1 aMane, Shamala1 aPathan, Ejaj1 aTupe, Santosh1 aDeshmukh, Sneha1 aKale, Deepika1 aGhormade, Vandana1 aChaudhari, Bhushan1 aDeshpande, Mukund uhttps://doi.org/10.1021/acs.biomac.1c0124801721nas a2200241 4500008004100000022001400041245013200055210006900187260000900256300001100265490000800276520090500284653000801189653001101197653002001208653001701228653001401245100002201259700002301281700002601304700002301330856012601353 2022 eng d a0144-861700aIsolation and structural characterization of exopolysaccharide from marine Bacillus sp. and its optimization by Microbioreactor0 aIsolation and structural characterization of exopolysaccharide f cJUN  a1192410 v2853 a

In the present study, a cost-effective, robust Microbioreactor based production optimization of levan like exopolysaccharide from marine Bacillus sp. SGD-03 was analysed. FE-SEM analysis has showed the significant fibrillar structure of EPS. Size exclusion chromatography and other analytical data revealed that, produced EPS has a molecular weight of 1.0 x 10(4) Da and is composed of fructose monosaccharide with hydroxyl, carbonyl, and ether groups. The backbone structure of EPS has a branching pattern of beta-(2,6) linkages which confirms the similarity with available levan like polymers. The cost-effective media composition for levan production was demonstrated. The maximum yield of crude levan obtained was 123.9 g/L by response surface methodology using robust BioLector Pro Microbioreactor, and same has been validated with shake flask, 1 L and 10 L pilot-scale fermentation.

10aEPS10amarine10aMicrobioreactor10aOptimization10astructure1 aWagh, Vasudev, S.1 aSaid, Madhukar, S.1 aBennale, Jagadish, S.1 aDastager, Syed, G. uhttps://library.ncl.res.in/content/isolation-and-structural-characterization-exopolysaccharide-marine-bacillus-sp-and-its02096nas 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-nucleophosmin02221nas a2200313 4500008004100000022001400041245010600055210006900161260000800230300001100238490000700249520122400256653001501480653000801495653001101503653002201514653003601536653002001572100002501592700002101617700002401638700001901662700001901681700001601700700001701716700002101733700002101754856013201775 2023 eng d a0968-089600aIdentification of new modulator of DNA repairing pathways based on natural product (±)-peharmaline A0 aIdentification of new modulator of DNA repairing pathways based  cAUG a1173650 v913 a

The complex heterogenic environment of tumour mass often leads to drug resistance and facilitate chemo insensitivity triggering more malignant phenotypes among cancer patients. Major DNA-damaging cancer drugs have been consistently proven unsuccessful in terms of elevating chemo-resistance. (& PLUSMN;)-peharmaline A, a hybrid natural product isolated from seeds of Peganum harmala L. possesses significant cytotoxic activities. Herein, we have described the design, and synthesis of a novel library of close and simplified analogues around the anticancer natural product (& PLUSMN;)-peharmaline A and investigated their cytotoxic activities, which led to the identification of three structurally simplified lead compounds exhibiting better potency than parent natural product. Among them, demethoxy analogue of peharmaline A was further investigated for its anticancer potential eliciting demethoxy analogue as potent DNA-damage inducing agent attenuating the expression of the proteins responsible for the DNA damage repair. Therefore, this demethoxy analogue warrants detailed investigations for the confirmations of the molecular mechanism-based studies responsible for its anticancer activity.

10aDNA damage10aEMT10aPictet10aSpengler reaction10aStructure-activity relationship10aTotal synthesis1 aKulkarni, Akshay, S.1 aDash, Anshurekha1 aShingare, Rahul, D.1 aChand, Jagdish1 aManhas, Diksha1 aSingh, Aman1 aNandi, Utpal1 aGoswami, Anindya1 aReddy, Srinivasa uhttps://library.ncl.res.in/content/identification-new-modulator-dna-repairing-pathways-based-natural-product-%C2%B1-peharmaline02587nas a2200241 4500008004100000022001400041245011400055210006900169260000800238300001200246490000800258520175700266653002402023653002402047653002802071653001302099653002402112653002102136653001802157100001902175700002102194856013002215 2023 eng d a1617-461500aIdentification of potential microRNAs regulating metabolic plasticity and cellular phenotypes in glioblastoma0 aIdentification of potential microRNAs regulating metabolic plast cJAN a161-1810 v2983 a

MicroRNAs (miRNAs) play important role in regulating cellular metabolism, and are currently being explored in cancer. As metabolic reprogramming in cancer is a major mediator of phenotypic plasticity, understanding miRNA-regulated metabolism will provide opportunities to identify miRNA targets that can regulate oncogenic phenotypes by taking control of cellular metabolism. In the present work, we studied the effect of differentially expressed miRNAs on metabolism, and associated oncogenic phenotypes in glioblastoma (GBM) using patient-derived data. Networks of differentially expressed miRNAs and metabolic genes were created and analyzed to identify important miRNAs that regulate major metabolism in GBM. Graph network-based approaches like network diffusion, backbone extraction, and different centrality measures were used to analyze these networks for identification of potential miRNA targets. Important metabolic processes and cellular phenotypes were annotated to trace the functional responses associated with these miRNA-regulated metabolic genes and associated phenotype networks. miRNA-regulated metabolic gene subnetworks of cellular phenotypes were extracted, and important miRNAs regulating these phenotypes were identified. The most important outcome of the study is the target miRNA combinations predicted for five different oncogenic phenotypes that can be tested experimentally for miRNA-based therapeutic design in GBM. Strategies implemented in the study can be used to generate testable hypotheses in other cancer types as well, and design context-specific miRNA-based therapy for individual patient. Their usability can be further extended to other gene regulatory networks in cancer and other genetic diseases.

10aCellular phenotypes10aFunctional analysis10aGlioblastoma metabolism10amicroRNA10amiRNA-based therapy10aNetwork analysis10aTranscriptome1 aBhowmick, Rupa1 aSarkar, Ram, Rup uhttps://library.ncl.res.in/content/identification-potential-micrornas-regulating-metabolic-plasticity-and-cellular-phenotypes02002nas a2200217 4500008004100000022001400041245008700055210006900142260000900211300001500220490000600235520129500241653001401536653001901550653001801569653001801587653001601605100002301621700002101644856011901665 2023 eng d a2365-654900ai-Indigo-based self-assembled microparticles and their conversion to nanoparticles0 aiIndigobased selfassembled microparticles and their conversion t cAUG  ae2023008590 v83 a

Microscopic particles (MPs) are used to scatter and reflect UV light. It is well established that inorganic MPs such as TiO2 and ZnO produce carcinogens. Therefore, organic MPs are explored for UV absorption. Conjugated chromophores with differing lipophilicity usually self-assemble into nanoscopic structures. In our previous experiments, unsymmetrical i-Indigo was found to self-assemble into 500 nm particles. We hypothesized that the size of the self-assembled particles can be increased by increasing the lipophilicity difference between the side chains. Toward this objective, we have chosen the i-Indigo core with TEG and alkyl chains as side chains. As a result, the i-Indigo molecules were found to self-assemble into 3 & mu; spheres in solution. By substituting side chains with different lipophilicity, i-Indigo microparticles with the size of 5 & mu; are prepared. A careful analysis showed that the spheres are similar to a soccer ball, and they deflate upon drying on the substrate surface. The judiciously chosen side chain binds with a metal-ion (Cs+) and forms nanoscopic assemblies. After Cs+ binding, the size of the particles is decreased drastically to 100 nm. The simple addition of ions converts microscopic assemblies into nanoscopic assemblies.

10aIsoindigo10amicroparticles10aNanoparticles10aSelf-assembly10aUV absorber1 aSingh, Anup, Kumar1 aSwain, Gitanjali uhttps://library.ncl.res.in/content/i-indigo-based-self-assembled-microparticles-and-their-conversion-nanoparticles01568nas a2200241 4500008004100000022001400041245007000055210006900125260000800194300001500202490000600217520081000223653002801033653001901061653001101080653001401091653002201105100002301127700001801150700002501168700003201193856010101225 2023 eng d a2365-654900aImine oxidation catalyzed by zinc hydroxyapatite: kinetic studies0 aImine oxidation catalyzed by zinc hydroxyapatite kinetic studies cMAY ae2022035030 v83 a

The synthesis of N,N-diphenylformamide from N-benzylideneaniline and urea hydrogen peroxide is investigated using a zinc hydroxyapatite (ZnHAP) catalyst. It was found that the catalyst resulted in the highest activity of 91 % conversion and 40 % selectivity at 130 degrees C in 2 h. A kinetic model was validated by Langmuir-Hinshelwood-Hougen-Watson (LHHW) at different temperatures and the absence of mass transfer resistance was proved by the Weisz Prater criterion. Effect of different catalysts, catalyst loading, temperature, mole-ratio, and speed of stirring was studied. The as-synthesized catalyst is characterized by FTIR, BET nitrogen adsorption-desorption, TEM, EDX, TPD-NH3, XPS, ICP-MS and XRD. ZnHAP catalyst was found to be stable up to three recycles with no loss in activity.

10aheterogeneous catalysis10ahydroxyapatite10aimines10aOxidation10aReaction kinetics1 aVishwakarma, Rakhi1 aVinod, C., P.1 aRathod, Virendra, K.1 aKantam, Mannepalli, Lakshmi uhttps://library.ncl.res.in/content/imine-oxidation-catalyzed-zinc-hydroxyapatite-kinetic-studies02133nas a2200241 4500008004100000022001400041245008500055210006900140260000800209300001200217490000800229520136500237653002801602653001401630653001401644653001201658653001501670653002501685100001701710700002001727700002401747856012001771 2023 eng d a0263-876200aImproving hydrodynamic cavitation using newer surface-coated cavitation reactors0 aImproving hydrodynamic cavitation using newer surfacecoated cavi cNOV a238-2510 v1993 a

Surface-coated cavitation devices, vortex diode (SCVD) have been reported for the first time for enhancing efficiency of hydrodynamic cavitation (HC). Two surface-coated cavitation reactors using coating of copper and nickel (-50 mu m) were evaluated, also comparing results with conventional reactor vortex diode. The proof of concept is successfully demonstrated for complete degradation of two model organic pollutants, antibioticscephalexin (CFX) and ciprofloxacin (CIP). The surface-coated reactors provide dual activity, and the catalytic effect is highly pronounced with process intensification using H2O2 and/ or pH alternations. Integration of SCVD, pH and H2O2 was the most effective strategy. Complete degradation of the antibiotics was achieved within minutes with H2O2 (-1000 molar ratio) for both Cu and Ni-surface-coated cavitation reactors compared to lower degradation of-19% for CFX and-37% for CIP using only HC. An excellent enhancement of over 300% for CFX degradation at pH 11 and-170% for CIP degradation at pH 4 was obtained. Huge enhancements in per-pass degradation and cavitational yields (up to 400 times) clearly highlight the utility of the surface-coated cavitation reactors in various applications and for cost-effectiveness.(c) 2023 Institution of Chemical Engineers. Published by Elsevier Ltd. All rights reserved.

10aHydrodynamic cavitation10aOxidation10apollution10aReactor10aTechnology10aWastewater treatment1 aDixit, Divya1 aThanekar, Pooja1 aBhandari, Vinay, M. uhttps://library.ncl.res.in/content/improving-hydrodynamic-cavitation-using-newer-surface-coated-cavitation-reactors03066nas a2200277 4500008004100000022001400041245013100055210006900186260000800255300001200263490000700275520214700282653000902429653002302438653001802461653001002479653001402489653003502503100001702538700001702555700001802572700002502590700002002615700002602635856012702661 2023 eng d a2296-634X00aIn silico identification and characterization of the SNPs in the human ASTL gene and their probable role in female infertility0 aIn silico identification and characterization of the SNPs in the cJUN a11516720 v113 a

Ovastacin (ASTL), a zinc metalloprotease, is released from a fertilized egg during exocytosis of cortical granules which occurs minutes after the sperm and egg fuse. ASTL cleaves ZP2, one of the four primary glycoproteins of human zona pellucida, and this cleavage prevents polyspermy, causes zona pellucida hardening, and also protects the pre-implantation embryo. Any perturbation in the activity of ASTL can thus disturb this process and may lead to infertility without changing the gross morphology of the oocyte. A small amount of ASTL is also released by unfertilized oocytes but its catalytic activity is absent as it is bound by its inhibitor, Fetuin-B (FETUB). Pre-mature release of ASTL when FETUB is absent also causes infertility. To identify and understand the structural and functional effects of deleterious SNPs of ASTL on its interaction with ZP2 and FETUB and hence on fertility, a total of 4,748 SNPs from the dbSNP database were evaluated using a variety of in silico tools. All of the 40 shortlisted nsSNPs were present in the catalytic domain of the protein. Comparison of the wild type with mutants using MutPred2 suggests an alteration in the catalytic activity/zinc binding site in many SNPs. Docking studies show the involvement of hydrophobic interactions and H bonding between ASTL and ZP2 and also between ASTL and FETUB. Four positions in ASTL involved in the hydrophobic interactions (P-105 and D-200 between ASTL and ZP2; D-198 and L-278 etween ASTL and FETUB) and 5 in H bonding (E-75 and R-159 between ASTL and ZP2; and K-93, R-159, and C-281 between ASTL and FETUB) have SNP's associated with them validating their importance. Interestingly, a cluster of multiple SNPs was found in the motif (DRD200)-D-198, which is also a well-conserved region among several species. Statistical Coupling Analysis (SCA) suggested that the deleterious SNPs were present in the functionally important amino acid positions of ASTL and are evolutionarily coupled. Thus, these results attempt to identify the regions in ASTL, mutations in which can affect its binding with ZP2 or FETUB and cause female infertility.

10aASTL10afemale infertility10afertilization10aomics10aovastacin10asingle nucleotide polymorphism1 aSuri, Kapali1 aRajput, Neha1 aSharma, Priya1 aOmble, Aishwarya, D.1 aKulkarni, Kiran1 aGahlay, Gagandeep, K. uhttps://library.ncl.res.in/content/silico-identification-and-characterization-snps-human-astl-gene-and-their-probable-role02106nas a2200217 4500008004100000245007300041210006900114260000900183300001600192490000700208520144800215653001001663653001101673653001601684653002001700653001001720100002001730700001601750700002301766856009901789 2023 eng d00aIn vitro anticancer evaluation of enceleamycin A and its underlying 0 aIn vitro anticancer evaluation of enceleamycin A and its underly cNOV  a34183-341930 v133 a

It has become more crucial than ever to find novel anticancer compounds due to the rise in cancer mortality and resistance to the present chemotherapeutic drugs. Naphthoquinones are regarded as privileged structures for their ability to inhibit various cancers. The current study examined three novel furo-naphthoquinones (Enceleamycins A-C) previously isolated from Amycolatopsis sp. MCC 0218 for their anticancer potential. Enceleamycin A demonstrated considerable cytotoxicity for triple-negative breast cancer (TNBC) MDA-MB-231 cells with an IC50 value of 1.25 mu g mL(-1) (3.78 mu M). It also showed the ability to inhibit MDA-MB-231 cell migration. Enceleamycin A raises intracellular ROS levels in TNBC cells, ultimately leading to apoptotic cell death, as demonstrated by Annexin V/PI staining. The molecular docking and simulation investigation revealed better binding affinity of Enceleamycin A with AKT2, which plays a vital role in breast cancer's invasiveness and chemo-resistance. Enceleamycin A inhibits the AKT2 enzyme in vitro with an IC50 value of 0.736 mu g mL(-1) (2.22 mu M), further validating the docking study. The in silico physicochemical and pharmacokinetics characteristics of Enceleamycin A demonstrated its drug-likeness. Intriguingly, Enceleamycin A is non-hemolytic in nature. Taken together, Enceleamycin A could be a candidate molecule for treating TNBC cells by targeting the AKT2 signaling pathway.

10aAssay10acancer10aDerivatives10aNaphthoquinones10aPlays1 aKhan, Abujunaid1 aPradeep, S.1 aDastager, Syed, G. uhttps://library.ncl.res.in/content/vitro-anticancer-evaluation-enceleamycin-and-its-underlying02255nas a2200169 4500008004100000022001400041245013800055210006900193260000900262300001600271490000700287520160300294100002001897700002001917700002201937856012601959 2023 eng d a1144-054600aIndustry-oriented method for the aqueous phase oxidation of crude 5-hydroxymethyl furfural (HMF) to 2,5-furandicarboxylic acid (FDCA)0 aIndustryoriented method for the aqueous phase oxidation of crude cAUG  a15325-153350 v473 a

Valorization of cellulose, hemicellulose, and lignin into value-added industrially relevant chemicals is important to achieve sustainability goals that various governments and industries have set. In view of this, the oxidative synthesis of 2,5-furandicarboxylic acid (FDCA) from 5-hydroxymethyl furfural (HMF) as an analogous compound to terephthalic acid in the synthesis of PEF is interesting to researchers. Though advancements in the oxidation of HMF have been made, the efficient synthesis of HMF, its storage, and isolation are great challenges due to its instability under normal conditions. While purified HMF can be used to synthesize FDCA, it is imperative to use crude HMF for the synthesis of FDCA since several techno-economical studies reveal that the purification of HMF is the most cost-intensive step. Herein, we demonstrate the oxidation of crude HMF, synthesized in the laboratory to FDCA, using nonprecious-based mixed metal oxides in the aqueous medium in the presence of oxygen/air. Among various catalysts, Cu-Mn catalyst at 120 & DEG;C within 8 h in the presence of oxygen (10 bar) could yield 90% FDCA. This activity was comparable with that of the commercially available and well-studied Ru/C (5 wt%) catalyst (93% yield). In addition, the role of HMF purity, air as an oxidant, and the influence of temperature, pressure, and time is systematically studied. It is also demonstrated that FDCA formation proceeds via HMFCA and FFCA formation. The isolation of FDCA and its purity (>99%) is corroborated with various techniques such as NMR, IR, and HRMS.

1 aLokhande, Priya1 aSonone, Kalyani1 aDhepe, Paresh, L. uhttps://library.ncl.res.in/content/industry-oriented-method-aqueous-phase-oxidation-crude-5-hydroxymethyl-furfural-hmf-2502281nas a2200181 4500008004100000022001400041245018100055210006900236260000800305300001600313490000700329520153800336100002301874700001801897700002601915700003101941856012701972 2023 eng d a0743-746300aInfluence of van der waals interactions between the alkyl chains of surface ligands on the size and size distribution of nanocrystals prepared by the digestive ripening process0 aInfluence of van der waals interactions between the alkyl chains cNOV a17733-177440 v393 a

Thermal heating of polydispersed nanocrystals (NCs) with surface-active organic ligands in a solvent leads to the formation of monodispersed NCs, and this process is known as digestive ripening (DR). Here, by performing DR on Au NCs using different-chain-length amine and thiol ligands, we evidently show that ligands with C-12 chain length result in the formation of NCs with narrow size distributions when compared to C-8, C-16, and C-20 chain length ligands. Furthermore, our findings also show that in the case of alkyl thiol, the NC size remains more or less the same, while the size distribution gets altered significantly with the chain length. On the other hand, both size and size distribution are affected significantly when the alkyl amine chain length is varied. Fourier transform infrared (FTIR) studies indicate that the van der Waals (vdW) interactions are weakest when the amine with C-12 carbon chain is used as the DR agent, while in the case of thiols, molecules with C-8 and C-12 chain lengths have nearly the same vdW interactions (with C-12 slightly weaker than C-8), which are weaker than those of C-16 and C-20. Molecular dynamics (MD) simulation results corroborate the experimental observations and suggest that due to more defects in the alkyl chain, the C-8 and C-12 (amine as well as thiol) ligands are disordered and less stable on Au(111) and Au(100) surfaces. This could result in efficient etching and redeposition, making the ligands with C-8 and C-12 chain lengths the better DR agents.

1 aShimpi, Jayesh, R.1 aThomas, Rinto1 aMeena, Santosh, Kumar1 aPrasad, Bhagavatula, L. V. uhttps://library.ncl.res.in/content/influence-van-der-waals-interactions-between-alkyl-chains-surface-ligands-size-and-size02379nas a2200277 4500008004100000022001400041245010700055210007000162260000900232300001100241490000800252520144600260653002501706653003801731653002201769100001701791700002401808700001601832700002501848700001901873700001901892700001901911700002201930700001901952856013001971 2023 eng d a0141-813000aInhibition of amyloid β1-42 peptide aggregation by newly designed cyclometallated palladium complexes0 aInhibition of amyloid β142 peptide aggregation by newly designed cSEP  a1258470 v2483 a

Uncontrolled amyloid aggregation is a frequent cause of neurodegenerative disorders such as prions and Alzheimer's disease (AD). As a result, many drug development approaches focus on evaluating novel molecules that can alter self-recognition pathways. Herein, we designed and synthesized the cyclometallated pyrene (Pd-1 and Pd-3) and anthracene (Pd-2) based palladium complexes ([Pd((L-1)Cl] Pd-1, [Pd(L-2)Cl](Pd-2), and [Pd(L-3)Cl] (Pd-3)). This study explores the effect of these complexes on the aggregation, fibrillation, and amyloid formation of bovine serum albumin (BSA) and A beta(1-42) peptide. Several spectroscopic methods were used to characterize all the Pd-complexes, and the molecular structure of Pd -3 was determined by X-ray crystallography. The secondary structures were studied using circular dichroism (CD) and transmission electron microscopy (TEM), while am-yloid aggregation and inhibitory activities were investigated using the Thioflavin-T (ThT) fluorescence assay. Molecular docking of the Pd-complex (Pd-3) was done using fibril (PDB: 2BEG) and monomeric (PDB: 1IYT) peptides using Auto-dock Vina. As a result, the hydrogen bonding and hydrophobic interaction between the aromatic rings of the Pd-complexes and the amino acids of amyloid-beta peptides significantly reduced the pro-duction of ordered beta-sheets of amyloid fibrils and protein aggregation in the presence of Pd-2 and Pd-3 complexes.

10aA beta(1-42) peptide10aAggregation and molecular docking10aPalladium complex1 aSaini, Rahul1 aNavale, Govinda, R.1 aSingh, Sain1 aSingh, Haobam, Kisan1 aChauhan, Rahul1 aAgrawal, Sonia1 aSarkar, Dhiman1 aSarma, Manabendra1 aGhosh, Kaushik uhttps://library.ncl.res.in/content/inhibition-amyloid-%CE%B21-42-peptide-aggregation-newly-designed-cyclometallated-palladium02225nas a2200241 4500008004100000022001400041245010200055210006900157260000800226490000800234520137900242653001601621653001301637653002001650653002001670100001801690700002901708700002801737700002401765700002701789700003601816856013101852 2023 eng d a0927-776500aInhibitory effect of curcumin-artemisinin co-amorphous on Tau aggregation and Tau phosphorylation0 aInhibitory effect of curcuminartemisinin coamorphous on Tau aggr cJAN0 v2213 a

Tau is a natively unfolded microtubule-associated protein. Tau neurofibrillary tangles are one of the hallmarks of Alzheimer's disease. The post-translational modifications of Tau lead to its pathological state. Phosphorylation is the key post-translational modification associated with Tauopathy. Curcumin is a polyphenolic compound pre-sent in the rhizomes of Curcuma longa. Curcumin has been reported to have remarkable medicinal properties in several diseases, but its poor solubility limits its therapeutic potency. Artemisinin is a sesquiterpene lactone, which has been known sience ancient times for its applications as a treatment for various diseases such as malaria, cancer, autoimmune disease, etc. In the present study, the potency of crystalline curcumin, crystalline artemisinin, and Cur-Art co-amorphous dispersion were evaluated against Tau pathology. The in-vitro ThS/ANS fluorescence and electron microscopy results suggested that curcumin and Cur-Art efficiently inhibited Tau aggregation. Furthermore, exposure to curcumin and Cur-Art co-amorphous restored the impaired nuclear transport in formaldehyde-stressed cells. Curcumin was also found to modulate the phosphorylation of Tau, which indicated the neuroprotective potency. Thus, curcumin and Cur-Art co-amorphous exhibit therapeutic potential against Tau protein in Alzheimer's disease.

10aartemisinin10acurcumin10aPhosphorylation10aTau Aggregation1 aDubey, Tushar1 aSonawane, Shweta, Kishor1 aMannava, M., K. Chaitan1 aNangia, Ashwini, K.1 aChandrashekar, Madhura1 aChinnathambi, Subashchandrabose uhttps://library.ncl.res.in/content/inhibitory-effect-curcumin-artemisinin-co-amorphous-tau-aggregation-and-tau-phosphorylation02601nas a2200241 4500008004100000022001400041245018300055210006900238260000800307300001100315490000800326520170900334653002002043653002502063653002702088653002102115653001302136100002002149700001602169700001802185700002602203856013002229 2023 eng d a1387-181100aInsights into adsorption of various gases on extra-framework cations of zeolite: a dispersion corrected DFT study on zeolite cluster models with Li plus , Na plus and K plus ions0 aInsights into adsorption of various gases on extraframework cati cNov a1127390 v3613 a

Design of an economical and sustainable gas separation material is relevant in several industrial processes. Zeolites with tunable pore sizes are ideal molecular sieves of many gases. The adsorption centers of these molecular sieves are extra-framework Lewis acid centers. In this study, we attempt to delineate the electronic properties of such centers (Li+, Na+ and K+) and their sorption properties towards N2, O2, CO, CO2 and H2. Negative framework of zeolites are modeled using different cluster models that present distinct electronic environment and role of this environment on the Lewis acidity of the cation. The sorption property towards different gases is evaluated using dispersion corrected DFT studies. The results obtained are benchmarked for one of the studied model using CCSD calculations. The results indicate that while the local environment modulates the adsorption properties, the relative adsorption properties between different ions follow the same order irrespective of the type of negative framework modeled. This reveals that intrinsic atomic properties of the charge compensating cations drive the sorption properties of the zeolites. Adsorption energies compounded with the analysis of IR stretching frequencies of the adsorbed gases reveals that Li centers shows molecular adsorption (charge donation to the cationic centers) towards N2 as compared to O2 and towards CO2/CO as compared to H2, demonstrating the applicability of Li-Zeolites as ideal membranes for oxygen concentrators and syngas separation. These adsorption studies are ratified by the BOMD simulations at 300 K, where H2 and O2 desorbs while N2, CO and CO2 remains adsorbed to the cationic site.

10aBOMD simulation10aCO/CO2/H2 separation10aExtra-framework cation10aN2/O2 separation10azeolites1 aDevasia, George1 aKumar, Ravi1 aVaval, Nayana1 aKrishnamurty, Sailaja uhttps://library.ncl.res.in/content/insights-adsorption-various-gases-extra-framework-cations-zeolite-dispersion-corrected-dft02035nas 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-particles02446nas a2200277 4500008004100000022001400041245017700055210006900232260000800301300001100309490000900320520145300329653001601782653002201798653002201820653002101842653002101863100002801884700001901912700001801931700001801949700002501967700001901992700002702011856013002038 2023 eng d a0022-286000aInteractive study of Au-20 nanocluster and methyl substituted amide linked tyrosine/tryptophan to develop representative model for studying protein-nanoparticle interaction0 aInteractive study of Au20 nanocluster and methyl substituted ami cJAN a1341770 v12723 a

Investigations on UV-vis, steady-state fluorescence and synchronous fluorescence properties of human hemoglobin (HHb) reveals greater spectral shifts in peaks arising due to alterations in microenvironment of Tyr-compared to Trp-during interactions with gold nanoparticle (GNP). Besides, interactions of Au-20 nanocluster with modified Tyr/Trp (possessing methyl substituted amide bonds) by quantum chemical calculations demonstrate significant role of amide bonds and the spectral shift, binding energy and alteration in bond distances appear to be higher for modified Tyr-compared to modified Trp. Moreover, close resemblance of frequency shift of modified Tyr/Trp-in presence of Au 20 is observed with respect to the experimental FT-IR study of HHb upon interaction with GNP, suggesting participation of amide bonds in both cases. Furthermore, CD DFT calculations using optimized helical stretch of HHbin presence of Au-20 and experimental CD results of HHb in presence of GNP further indicate participation amide bonds and biocompatibility of GNP. Apparently, the theoretical and experimental interactions are going in good agreement with each other. Overall, the study of interactions of modified Tyr/Trp-as representative models of protein microenvironment and Au-20 nanocluster as prototype of GNP to develop models for exploring protein nanoparticle interactions has been highlighted. (C) 2022 Elsevier B.V. All rights reserved.

10aamide bonds10aAu-20 nanocluster10aGold nanoparticle10aHuman hemoglobin10aModified Tyr/Trp1 aBanerjee, Nineesha, Sen1 aGhosh, Deborin1 aMitra, Ishani1 aPaul, Somnath1 aShow, Bibhutibhushan1 aGanguly, Tapan1 aChakraborty, Madhurima uhttps://library.ncl.res.in/content/interactive-study-au-20-nanocluster-and-methyl-substituted-amide-linked-tyrosinetryptophan02021nas a2200193 4500008004100000022001400041245012200055210006900177260000900246300001600255490000700271520131500278100002301593700001701616700002401633700002001657700002201677856012801699 2023 eng d a2041-652000aIntramolecular donor-stabilized tetra-coordinated germanium(iv) di-cations and their Lewis acidic properties0 aIntramolecular donorstabilized tetracoordinated germaniumscivsc  cDEC  a13755-137640 v143 a

We report the first examples of intramolecular phosphine-stabilized tetra-coordinated germanium(iv) di-cationic compounds: [(L2Ge)-Ge-iPr][CF3SO3](2)3iPr and [(L2Ge)-Ge-Ph][CF3SO3](2)3Ph (L-iPr = 6-(diisopropylphosphanyl)-1,2-dihydroacenaphthylene-5-ide; L-Ph = 6-(diphenylphosphanyl)-1,2-dihydroacenaphthylene-5-ide). The step wise synthetic strategy involves the isolation of neutral and mono-cationic Ge(iv) precursors: [(L2GeCl)-Ge-iPr][X] (X = GeCl(3)1iPr, OTf 2iPr), [(L2GeCl2)-Ge-Ph] 1Ph and [(L2GeCl)-Ge-Ph][OTf] 2Ph. Both 3iPr and 3Ph exhibit constrained spiro-geometry. DFT studies reveal the dispersion of di-cationic charges over P-Ge-P sites. Anion or Lewis base binding occurs at the Ge site resulting in relaxed distorted trigonal bipyramidal/tetrahedral geometry. 3iPr and 3Ph activate the Si-H bond initially at the P-site. The hydride ultimately migrates to the Ge-site rapidly giving [(L2GeH)-Ge-Ph][CF3SO3] 3PhH, while sluggishly forming [(L2GeH)-Ge-iPr][CF3SO3] 3iPrH. Compounds 3iPr and 3Ph were tested as catalysts for the hydrosilylation of aromatic aldehydes. While catalytic hydrosilylation proceeded via the initial Et3Si-H bond activation in the case of 3iPr, compound 3Ph as a catalyst showed a masked Frustrated Lewis Pair (FLP) type reactivity in the catalytic cycle.

1 aPeddi, Balakrishna1 aKhan, Souvik1 aGonnade, Rajesh, G.1 aYildiz, Cem, B.1 aMajumdar, Moumita uhttps://library.ncl.res.in/content/intramolecular-donor-stabilized-tetra-coordinated-germaniumiv-di-cations-and-their-lewis02564nas a2200289 4500008004100000022001400041245013800055210006900193260000800262490000700270520158500277653001701862653002401879653001801903653001201921653001901933100001601952700001501968700001601983700001601999700002202015700002702037700002702064700002802091700002502119856013002144 2023 eng d a0935-964800aIntrinsic charge polarization in Bi19S27Cl3 nanorods promotes selective C-C coupling reaction during photoreduction of CO2 to ethanol0 aIntrinsic charge polarization in Bi19S27Cl3 nanorods promotes se cFEB0 v353 a

Obtaining multi-carbon products via CO2 photoreduction is a major catalytic challenge involving multielectron-mediated C-C bond formation. Complex design of multicomponent interfaces that are exploited to achieve this chemical transformation, often leads to untraceable deleterious changes in the interfacial chemical environment affecting CO2 conversion efficiency and product selectivity. Alternatively, robust metal centers having asymmetric charge distribution can effectuate C-C coupling reaction through the stabilization of intermediates, for desired product selectivity. However, generating inherent charge distribution in a single component catalyst is a difficult material design challenge. Here, a novel photocatalyst, Bi19S27Cl3, is presented which selectively converts CO2 to a C-2 product, ethanol, in high yield under visible light irradiation. Structural analysis through transmission electron microscopy, X-ray diffraction, X-ray photoelectron spectroscopy, and X-ray absorption spectroscopy reveals the presence of charge polarized bismuth centers in Bi19S27Cl3. The intrinsic electric field induced by charge polarized bismuth centers renders better separation efficiency of photogenerated electron-hole pair. Furthermore, charge polarized centers yield better adsorption of CO* intermediate and accelerate the rate determining C-C coupling step through the formation of OCCOH intermediate. Formation of these intermediates is experimentally mapped by in situ Fourier-transform infrared spectroscopy and further confirmed by theoretical calculation.

10aC-C coupling10acharge polarization10aCO2 reduction10aEthanol10aPhotocatalysis1 aDas, Kousik1 aDas, Risov1 aRiyaz, Mohd1 aParui, Arko1 aBagchi, Debabrata1 aSingh, Ashutosh, Kumar1 aSingh, Abhishek, Kumar1 aVinod, Chathakudath, P.1 aPeter, Sebastian, C. uhttps://library.ncl.res.in/content/intrinsic-charge-polarization-bi19s27cl3-nanorods-promotes-selective-c-c-coupling-reaction01598nas 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-nanoparticles02113nas a2200253 4500008004100000022001400041245015700055210006900212260000800281300001400289490000700303520121100310653001601521653002701537653002301564653001501587653000901602100001801611700002501629700002701654700002201681700002401703856013201727 2023 eng d a0366-635200aInvestigation and analysis of structural and electrochemical properties of highly ionic conductive La2-xSrxSn2O7-delta electrolyte for SOFC applications0 aInvestigation and analysis of structural and electrochemical pro cMAY a2697-27050 v773 a

This study primarily focused on the investigation, synthesis and analysis of lanthanum and tin pyrochlores electrolytes for solid oxide fuel cell (SOFC) applications. Ceramic samples with diverse compositions of La2-xSrxSn2O7-delta (x = 0.05, 0.1, 0.15, 0.2, 0.25, and 0.3) were synthesized by using solid-state reaction (SSR) methods. The prepared La2-xSrxSn2O7-delta samples were characterized by using X-ray diffraction, scanning electron microscopy and electrochemical impedance spectroscopy measurements. The results were further interpreted regarding the formation of high oxygen vacancy and structural disorder in the La2-xSrxSn2O7-delta matrix. The doping of lanthanum (La3+) by strontium (Sr2+) had a beneficial and remarkable effect on the structural and electrical properties: the increase in dopant (Sr) concentration decreased the lattice parameters of the crystalline phase and enhanced the creation of oxygen vacancies, which consequently increased the ionic conductivity and decreased the activation energy. Thus, it could be understood that the studied new La2-xSrxSn2O7-delta electrolyte would be one of the potential candidates for intermediate temperature SOFC applications.

10aElectrolyte10aImpedance spectroscopy10aIonic conductivity10aPyrochlore10aSOFC1 aMelit, Fatima1 aBounar, Nedjemeddine1 aShaikh, Shabana, P. S.1 aDeshpande, Manish1 aSteil, Marlu, Cesar uhttps://library.ncl.res.in/content/investigation-and-analysis-structural-and-electrochemical-properties-highly-ionic-conductive02073nas a2200181 4500008004100000022001400041245013100055210006900186260000900255300001600264490000700280520138700287100001801674700002301692700002201715700002301737856013101760 2023 eng d a1463-907600aInvestigation of Al2O3 induced variations in the structural parameters in strontium borosilicate glasses using solid state NMR0 aInvestigation of Al2O3 induced variations in the structural para cMAY  a13550-135590 v253 a

The physical properties of oxide glasses are crucially dependent on the atomistic structural speciation. In this study, we investigate the variation in the local ordering in the glass network of strontium borosilicate glasses (34.82 SrO, 51.84 B2O3, 13.34 SiO2 in mol%) with a progressive substitution of B2O3 by Al2O3 and estimate the structural parameters: the oxygen packing fraction, and the average network coordination number. The coordination of the network forming cations at various glass compositions is determined using B-11, Al-27, and Si-29 solid-state nuclear magnetic resonance (SSNMR). The SSNMR reveals that at the higher substitution of B2O3 by Al2O3 in the glass composition, the coordination network of Al3+ exists predominantly in the 4 coordinated state, the network forming B3+ cations transform from a tetrahedral BO4 to a trigonal BO3 structure, and the Q(4) form of silicates is dominant. The average coordination number and the oxygen packing fraction were calculated using the parameters obtained from the SSNMR results, and it is observed that the average coordination number decreases, and the oxygen packing fraction increases on incorporating Al. It is interesting to note that some of the thermophysical properties of these compositions closely follow the pattern shown by the average coordination number and the oxygen packing fraction.

1 aIllath, Kavya1 aOjha, Prasanta, K.1 aRath, Sangram, K.1 aAjithkumar, T., G. uhttps://library.ncl.res.in/content/investigation-al2o3-induced-variations-structural-parameters-strontium-borosilicate-glasses02594nas a2200241 4500008004100000022001400041245008200055210006900137260000800206300001400214490000700228520178900235653001502024653002302039653002802062653001702090653005102107100002102158700001902179700001802198700002302216856011302239 2023 eng d a2190-681500aInvestigation of cold-active and mesophilic cellulases: opportunities awaited0 aInvestigation of coldactive and mesophilic cellulases opportunit cJUL a8829-88520 v133 a

In the recent decade, the global demand and fuel prices have urged a need to track down an alternate resource. Second-generation (2G) biofuel from the lignocellulosic biomass (LCB) is trending as the fundamental alternative resource. Although LCB is the most abundantly available renewable resource, its commercialization into 2G biofuel technology is a major challenge. Efficient LCB hydrolysis requires a proper lignocellulolytic enzyme cocktail. In view to addressing this problem, several researchers are investigating for efficient enzymes to hydrolyze LCB. To date, there are very few commercial enzymes that aid in the breakdown of LCB, and these enzymes are traditionally isolated from culturable microbes. As only 1% of the microbes can be cultivated in the laboratory, the potentials of the uncultured remain under-explored. In the recent decade, advances in metagenomics using next-generation sequencing (NGS) technologies have revealed the vast diversity of hydrolytic enzymes and multiple domain proteins in the ecosystem. Aiming this, we focus our review on investigating efficient cold-active and mesophilic cellulases from the metagenome. India is an agro-based country with various climatic regions, ranging from warm and humid in the south to mild or moderate and cold or snowy in the Himalayan north; therefore, both cold-active and mesophilic cellulases are needed for LCB to ethanol. Along with downsizing, the conversion cost of LCB to fermentable sugars not only increases the enzymatic conversion but also increases the fermentation efficiency, which ultimately helps to commercialize the second-generation biofuel technology. Metagenomics is an evolving concept, and it has opened new horizons for the discovery of micro-organisms and new enzymes.

10acellulases10aGlycosyl hydrolase10aLignocellulosic biomass10aMetagenomics10asimultaneous saccharification and fermentation1 aChavan, Sambhaji1 aShete, Ashvini1 aMirza, Yasmin1 aDharne, Mahesh, S. uhttps://library.ncl.res.in/content/investigation-cold-active-and-mesophilic-cellulases-opportunities-awaited02031nas a2200217 4500008004100000022001400041245018000055210006900235260000900304490000700313520118900320653002901509653001601538653002001554653001301574100002501587700003001612700002601642700002001668856012501688 2023 eng d a1861-472800aInvestigation of the effect of zeolite supports and the role of W-species for one-pot catalytic conversion of cellulose to ethylene glycol: theoretical & experimental studies.0 aInvestigation of the effect of zeolite supports and the role of  cFEB 0 v183 a

Endeavors were made to study the influence of various zeolite (HY, NaY, NaZSM-5 and HZSM-5) supports with (Al)-Ni-W metal combination catalysts for the ethylene glycol (EG) production, selectively from cellulose. From the experimental results ZSM-5 (NaZSM-5/73.3% & HZSM-5/67.7%) support is superior over HY & NaY support in selective EG production from cellulose. It was understood that W- species with oxygen vacancies (WO3-x, XPS analysis) plays an important role in producing the glycolaldehyde (GA) intermediate (via C-C cleavages), which on hydrogenation over Ni- sites selectively produce EG. Further, the studies based on the Density Functional Theory (DFT) were conducted to substantiate the involvement of the WO3-x species in the reaction. The adsorption energies and structural changes establish that the C-2-C-3 bond of the glucose elongates and thereby activates on adsorbing to WO3-x sites supporting the formation of GA. Activation of GA on Ni- sites is distinguished by an increase of 0.1 angstrom in C=O bond length, which facilitates the hydrogenation of C=O resulting in EG. The reaction pathway is explained through an analysis of CDD and DOS.

10aCellulose hydrogenolysis10aDFT studies10aethylene glycol10azeolites1 aSreekantan, Sreejith1 aSingh, Chandrodai, Pratap1 aKrishnamurty, Sailaja1 aMarimuthu, Banu uhttps://library.ncl.res.in/content/investigation-effect-zeolite-supports-and-role-w-species-one-pot-catalytic-conversion02074nas a2200169 4500008004100000022001400041245009400055210006900149260000900218300001400227490000700241520147300248100001901721700001701740700002401757856012301781 2023 eng d a2044-475300aIron-catalysed highly selective hydroalkoxycarbonylation of alkynes using CO as C1 source0 aIroncatalysed highly selective hydroalkoxycarbonylation of alkyn cOCT  a5549-55550 v133 a

Though precious and rare, late-transition metals have been extensively used in metal-catalysed carbonylation reactions in organic transformations. On the other hand, base metals are abundant and cheap, but their practical utilization in carbonylation reactions is rarely explored. Here, we report iron-catalysed hydroalkoxycarbonylation of alkynes to alpha,beta-unsaturated esters in one pot. A readily available iron precursor [Fe2(CO)9] in the presence of a diimine ligand L7 catalyzes the conversion of alkynes to alpha,beta-unsaturated esters under 10 bar CO pressure. This operationally simple protocol tolerates various functional groups and allows facile access to about 40 alpha,beta-unsaturated esters. The synthetic utility of the reaction has been demonstrated by scaling up the reaction to 1 g and by preparing sunscreen/antifungal agents. The kinetic study suggests that the reaction is an approximate 1st order with respect to the iron catalyst, and the initial rate of the reaction is 3.6 x 10-2 M h-1. Mechanistic investigations using NMR spectroscopy indicated the existence of an [Fe-H] intermediate, and control experiments using a radical trapping reagent and EPR revealed the absence of any radical species in the reaction. Precious and rare, late transition metals have been extensively used in carbonylation. An earth abundant iron-catalyst is reported here for hydroalkoxycarbonylation of alkynes in the presence of CO as C1 source.

1 aTewari, Tanuja1 aKumar, Rohit1 aChikkali, Samir, H. uhttps://library.ncl.res.in/content/iron-catalysed-highly-selective-hydroalkoxycarbonylation-alkynes-using-co-c1-source02091nas a2200241 4500008004100000022001400041245010400055210006900159260000900228490000700237520124700244653001701491653003501508653002901543653003301572653001801605100001701623700001701640700001901657700002401676700002401700856012501724 2023 eng d a0947-653900aIron-catalyzed alkoxylation, dehydrogenative-polymerization and tandem hydrosilylative-alkoxylation0 aIroncatalyzed alkoxylation dehydrogenativepolymerization and tan cAUG 0 v293 a

Alkoxylation, hydrosilylative-alkoxylation, and dehydrogenative-polymerization are some of the most widely used transformations in synthetic chemistry. However, these transformations are traditionally catalyzed by precious, and rare late-transition metals. Presented here is a molecularly defined iron complex that catalyzes alkoxylation, tandem hydrosilylative-alkoxylation, and dehydrogenative polymerization of silanes under mild conditions. The iron complex [Fe(CO)(4)(H)(SiPh3)] 1 catalyzes a direct Si-O coupling reaction between an array of silanes and alcohols to produce desired alkoxysilanes in excellent yield, with H-2 as the only byproduct. The iron catalyst tolerates various functional groups and provides access to 20 alkoxysilanes, including essential molecules such as & beta;-citronellol and cholesterol. Further, complex 1 catalyzes the polymerization of renewable diol and silane monomer to produce a renewable and degradable poly(isosorbide-silyl ether). Remarkably, complex 1 catalyzes a tandem hydrosilylative-alkoxylation of alkynes under mild conditions to yield unsaturated silyl ethers. The synthetic utility has been demonstrated by gram-scale alkoxylation and hydrosilylative-alkoxylation reactions.

10aalkoxylation10adehydrogenative polymerization10aearth abundant catalysts10ahydrosilylative-alkoxylation10aIron Catalyst1 aSen, Anirban1 aKumar, Rohit1 aTewari, Tanuja1 aGonnade, Rajesh, G.1 aChikkali, Samir, H. uhttps://library.ncl.res.in/content/iron-catalyzed-alkoxylation-dehydrogenative-polymerization-and-tandem-hydrosilylative01926nas a2200217 4500008004100000022001400041245008500055210006900140260000900209490000700218520122800225653001401453653001201467653001201479653002101491653001901512100001901531700001701550700002401567856011701591 2023 eng d a1867-388000aIron-catalyzed magnesium-mediated formal hydroformylation of alkynes and alkenes0 aIroncatalyzed magnesiummediated formal hydroformylation of alkyn cFEB 0 v153 a

Alkynes and alkenes are routinely converted to corresponding synthetically versatile aldehydes using rhodium-catalyzed hydroformylation. However, rhodium is rare, precious, costly, and depleting at a considerably high rate. Reported here is iron-catalyzed, magnesium-mediated, formal hydroformylation of alkynes and alkenes in the absence of syngas. Readily available FeCl2 in the presence of alkyl magnesium halide, and dimethyl formamide, catalyzes hydroformylation of various alkynes and selectively produces alpha,beta-unsaturated aldehydes in good to excellent conversion. Mechanistic investigations revealed the presence of vinyl magnesium intermediate, the kinetic study disclosed the first-order dependence of the reaction on iron loading, and the control experiment authenticated the iron catalyst's homogeneous nature. The scope of this methodology was amplified, and 20 alkenes were examined. [Fe(acac)(3)] in the presence of ligand, alkyl magnesium halide, and dimethyl formamide catalyzed the hydroformylation of alkenes and displayed good to excellent conversion. An earth-abundant iron catalyst offering a syngas cylinder-free safe alternative to high-pressure hydroformylation has been reported.

10aaldehydes10aalkenes10aAlkynes10aHydroformylation10airon catalysis1 aTewari, Tanuja1 aKumar, Rohit1 aChikkali, Samir, H. uhttps://library.ncl.res.in/content/iron-catalyzed-magnesium-mediated-formal-hydroformylation-alkynes-and-alkenes02048nas 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-renewable02549nas a2200241 4500008004100000022001400041245016900055210006900224260000800293300001200301490000700313520160600320653002201926653002001948653003801968653003202006653008102038653001202119100001702131700001602148700002202164856012102186 2023 eng d a0026-261700aIsolation and biochemical characterization of acid phytase from aspergillus niger and its applications in dephytinization of phytic acid in poultry feed ingredients0 aIsolation and biochemical characterization of acid phytase from  cAPR a221-2290 v923 a

Acidic phytase (PHY-B) was isolated from Aspergillus niger BIONCL8 strain, and assessed its application for the dephytinization of poultry feed ingredients. Aspergillus niger BIONCL8 strain was identified by precise molecular methods by targeting internal transcribed spacer (ITS) region of the fungi and molecular detection of PHY gene in the strain was confirmed by sequence analysis with respect to PHY production. The enzyme was isolated and purified by DEAE Sephadex A-50 and Bio-Gel P-60 Gel ion-exchange chromatography. The estimated molecular weight of the protein was 65 kDa on SDS-PAGE, it had a specific activity of 21.18 U/mg. The molecular weight of the protein was confirmed by matrix-assisted laser desorption ionization time-of-flight mass spectrometry (MALDI-TOF-MS). The peptide sequence of PHY-B was identified using high resolution-mass spectrometry (LC-HR-MS), and its physicochemical parameters were studied. The PHY was stable at acidic pH 2.1, most active at 40 degrees C and was stable up to 80 degrees C, retaining 30% residual activity after 1 h of incubation. The PHY activity was enhanced in the presence of Mg2+ and EDTA, and activity was inhibited in the presence of Hg2+ and K+. The K-m and V-max of PHY were recorded as 3.35 mM and 1.27 U/mg, respectively. The PHY was shown to play a significant role in decreasing PA content in various poultry feed ingredients, ranging from 48.14 to 82.14%. The novel features of the enzyme can be used to decrease the PA content in feed ingredients and increase the bioavailability of nutrients to non-ruminant animals.

10aAspergillus niger10adephytinization10ahigh resolution-mass spectrometry10aion-exchange chromatography10amatrix-assisted laser desorption ionization time-of-flight mass spectrometry10aPhytase1 aBhandari, Y.1 aSonwane, B.1 aVamkudoth, K., R. uhttps://library.ncl.res.in/content/isolation-and-biochemical-characterization-acid-phytase-aspergillus-niger-and-its02851nas a2200217 4500008004100000245013500041210006900176260000800245300000900253490000700262520199000269653002202259653004302281653003902324653003502363653002902398100002102427700002702448700003002475856012802505 2023 eng d00aIsolation and molecular characterization of indigenous penicillium chrysogenum/rubens strain portfolio for penicillin V production0 aIsolation and molecular characterization of indigenous penicilli cAPR a11320 v113 a

Beta (beta)-lactam antibiotic is an industrially important molecule produced by Penicillium chrysogenum/rubens. Penicillin is a building block for 6-aminopenicillanic acid (6-APA), an important active pharmaceutical intermediate (API) used for semi-synthetic antibiotics biosynthesis. In this investigation, we isolated and identified Penicillium chrysogenum, P. rubens, P. brocae, P. citrinum, Aspergillus fumigatus, A. sydowii, Talaromyces tratensis, Scopulariopsis brevicaulis, P. oxalicum, and P. dipodomyicola using the internal transcribed spacer (ITS) region and the beta-tubulin (BenA) gene for precise species identification from Indian origin. Furthermore, the BenA gene distinguished between complex species of P. chrysogenum and P. rubens to a certain extent which partially failed by the ITS region. In addition, these species were distinguished by metabolic markers profiled by liquid chromatography-high resolution mass spectrometry (LC-HRMS). Secalonic acid, Meleagrin, and Roquefortine C were absent in P. rubens. The crude extract evaluated for PenV production by antibacterial activities by well diffusion method against Staphylococcus aureus NCIM-2079. A high-performance liquid chromatography (HPLC) method was developed for simultaneous detection of 6-APA, phenoxymethyl penicillin (PenV), and phenoxyacetic acid (POA). The pivotal objective was the development of an indigenous strain portfolio for PenV production. Here, a library of 80 strains of P. chrysogenum/rubens was screened for PenV production. Results showed 28 strains capable of producing PenV in a range from 10 to 120 mg/L when 80 strains were screened for its production. In addition, fermentation parameters, precursor concentration, incubation period, inoculum size, pH, and temperature were monitored for the improved PenV production using promising P. rubens strain BIONCL P45. In conclusion, P. chrysogenum/rubens strains can be explored for the industrial-scale PenV production.

10abeta-tubulin gene10ahigh-performance liquid chromatography10ainternal transcribed spacer region10aPenicillium chrysogenum/rubens10aphenoxymethyl penicillin1 aSawant, Amol, M.1 aNavale, Vishwambar, D.1 aVamkudoth, Koteswara, Rao uhttps://library.ncl.res.in/content/isolation-and-molecular-characterization-indigenous-penicillium-chrysogenumrubens-strain02618nas a2200253 4500008004100000022001400041245008400055210007000139260000800209490000700217520178600224653001202010653001302022653001902035653001702054653003102071100001802102700002502120700002402145700002002169700003002189700003002219856011502249 2023 eng d a1433-785100aIsomer effect on energy storage of π-extended S-shaped double[6]heterohelicene0 aIsomer effect on energy storage of πextended Sshaped double6hete cNOV0 v623 a

Recently, chiral and nonplanar cutouts of graphene have been the favorites due to their unique optical, electronic, and redox properties and high solubility compared with their planar counterparts. Despite the remarkable progress in helicenes, pi-extended heterohelicenes have not been widely explored. As an anode in a lithium-ion battery, the racemic mixture of pi-extended double heterohelical nanographene containing thienothiophene core exhibited a high lithium storage capability, attaining a specific capacity of 424 mAh g-1 at 0.1 A g-1 with excellent rate capability and superior long-term cycling performance over 6000 cycles with negligible fade. As a first report, the pi-extended helicene isomer (PP and MM), with the more interlayer distance that helps faster diffusion of ions, has exhibited a high capacity of 300 mAh g-1 at 2 A g-1 with long-term cycling performance over 1500 cycles compared to the less performing MP and PM isomer and racemic mixture (150 mAh g-1 at 2 A g-1). As supported by single-crystal X-ray analysis, a unique molecular design of nanographenes with a fixed (helical) molecular geometry, avoiding restacking of the layers, renders better performance as an anode in lithium-ion batteries. Interestingly, the recycled nanographene anode material displayed comparable performance. A pi-extended double heterohelical nanographene of thienothiophene core fused with two hexabenzocoronene units exhibits excellent performance as an anode in a lithium-ion battery. The isomer (PP and MM) with more interlayer distance exhibited a high lithium storage capability compared to the other isomer and racemic mixture. Helical nanographene anodes display excellent rate capability, superior long-term cycling performance, and recyclability.image

10aBattery10agraphene10aLi-ion battery10ananographene10aOrganic Electrode Material1 aKumar, Viksit1 aBharathkumar, H., J.1 aDongre, Sangram, D.1 aGonnade, Rajesh1 aKrishnamoorthy, Kothandam1 aBabu, Sukumaran, Santhosh uhttps://library.ncl.res.in/content/isomer-effect-energy-storage-%CF%80-extended-s-shaped-double6heterohelicene01523nas a2200205 4500008004100000022001400041245008700055210006900142260000900211300001400220490000700234520083500241100002501076700001601101700001901117700001601136700002601152700002301178856011601201 2024 eng d a1144-054600aI2-catalyzed three-component synthesis of 3-selenylated pyrazolo[1,5-a]pyrimidines0 aI2catalyzed threecomponent synthesis of 3selenylated pyrazolo15a cMAY  a9480-94850 v483 a

A straightforward protocol has been developed to access 3-selenylated pyrazolo[1,5-a]pyrimidines from readily available amino pyrazoles, chalcones, and diaryl/dialkyl diselenides. This I-2-catalyzed methodology is highly useful for synthesizing a wide range of functionalized 3-(aryl/alkylselanyl)pyrazolo[1,5-a]pyrimidine derivatives. Mechanistic investigation disclosed that iodine catalysis is very important in both the cyclization process as well as in the C-H selenylation step. Moreover, the developed reaction conditions are also applicable for the cyclization of amino pyrazole with enaminone followed by C-H selenylation in one pot. The use of simple reagents and catalyst, wide substrate scope, mild and metal-free reaction conditions, and practical applicability are the attractive facets of this approach.

1 aChoudhuri, Tathagata1 aPaul, Suvam1 aSikdar, Papiya1 aDas, Sourav1 aSawant, Sanghapal, D.1 aBagdi, Avik, Kumar uhttps://library.ncl.res.in/content/i2-catalyzed-three-component-synthesis-3-selenylated-pyrazolo15-apyrimidines02443nas 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%A201511nas a2200217 4500008004100000022001400041245012100055210007300176260000900249490000600258520068800264653003000952653002300982653001101005653002201016653002901038100001801067700002601085700002401111856015801135 2024 eng d a2365-654900aImplications of natural 3′-5′- linkages in the loop region of isomeric 2′-5′-linked thrombin-binding aptamer0 aImplications of natural 3′5′ linkages in the loop region of isom cAPR 0 v93 a

The backbone modification of the thrombin-binding aptamer (TBA) in the TT and TGT loop regions by isomeric 2 `-5 `-linkages was found to impose additive destabilizing effects on the thermal stability of the G-quadruplex structure. In contrast, the thermal stability of isomeric 2 `-5 `-linked TBA, i. e., isoTBA, was significantly improved by isomeric 3 `-5 `-phosphodiester linkages. The isoTBA, when modified with 3 `-5 `-linkages in both lateral TT loops (isoTBA202), exhibited higher thermal stability and enzymatic stability in comparison to other oligomers in the present study, and TBA202 showed higher antithrombin activity than other loop-modified TBA oligomers.

10a2 `-5 `-linked-linked DNA10aDNA-isoDNA chimera10aisoDNA10aloop-modification10athrombin-binding aptamer1 aAher, Manisha1 aKumar, Vaijayanti, A.1 aFernandes, Moneesha uhttps://library.ncl.res.in/content/implications-natural-3%E2%80%B2-5%E2%80%B2-linkages-loop-region-isomeric-2%E2%80%B2-5%E2%80%B2-linked-thrombin-binding02171nas a2200193 4500008004100000022001400041245007900055210006900134260000800203300001200211490000700223520154000230100002201770700001801792700002001810700002001830700002001850856010701870 2024 eng d a1549-959600aImproved protein dynamics and hydration in the martini3 coarse-grain model0 aImproved protein dynamics and hydration in the martini3 coarsegr cJAN a837-8500 v643 a

The Martini coarse-grain force-field has emerged as an important framework to probe cellular processes at experimentally relevant time- and length-scales. However, the recently developed version, the Martini3 force-field with the implemented Go model (Martini3Go), as well as previous variants of the Martini model have not been benchmarked and rigorously tested for globular proteins. In this study, we consider three globular proteins, ubiquitin, lysozyme, and cofilin, and compare protein dynamics and hydration with observables from experiments and all-atom simulations. We show that the Martini3Go model is able to accurately model the structural and dynamic features of small globular proteins. Overall, the structural integrity of the proteins is maintained, as validated by contact maps, radii of gyration (Rg), and SAXS profiles. The chemical shifts predicted from the ensemble sampled in the simulations are consistent with the experimental data. Further, a good match is observed in the protein-water interaction energetics, and the hydration levels of the residues are similar to atomistic simulations. However, the protein-water interaction dynamics is not accurately represented and appears to depend on the protein structural complexity, residue specificity, and water dynamics. Our work is a step toward testing and assessing the Martini3Go model and provides insights into future efforts to refine Martini models with improved solvation effects and better correspondence to the underlying all-atom systems.

1 aKharche, Shalmali1 aYadav, Manjul1 aHande, Vrushali1 aPrakash, Shikha1 aSengupta, Durba uhttps://library.ncl.res.in/content/improved-protein-dynamics-and-hydration-martini3-coarse-grain-model01280nas a2200157 4500008004100000022001400041245007600055210007000131260000800201300001400209490000700223520074700230100002100977700001700998856010701015 2024 eng d a0276-733300aIn silico discovery of a neutral 2π aromatic silicon aluminum compound0 aIn silico discovery of a neutral 2π aromatic silicon aluminum co cJUL a1583-15920 v433 a

The recently developed ab initio nanoreactor (AINR) approach to identifying reaction intermediates and pathways without the necessity of experimental input has been employed in the current work to locate new cyclic silicon-based structures that have the potential to display aromaticity. Using this approach, we have identified many cyclic silicon-based molecules that have been experimentally reported over the past three decades. More importantly, the current work showcases an interesting new molecule that has been discovered through this approach: a four-membered cyclic compound of silicon and aluminum that displays significant 2 pi aromaticity and is capable of the activation of important small molecules such as ammonia.

1 aSharma, Himanshu1 aVanka, Kumar uhttps://library.ncl.res.in/content/silico-discovery-neutral-2%CF%80-aromatic-silicon-aluminum-compound02819nas a2200241 4500008004100000022001400041245009100055210006900146260000900215300001400224490000700238520200900245653002302254653003102277653002302308653001702331653002002348100002702368700002202395700002002417700002302437856011702460 2024 eng d a1543-838400aIn situ monitoring of competitive coformer exchange reaction by 1H MAS solid-state NMR0 aIn situ monitoring of competitive coformer exchange reaction by  cFEB  a1479-14890 v213 a

In a competitive coformer exchange reaction, a recent topic of interest in pharmaceutical research, the coformer in a pharmaceutical cocrystal is exchanged with another coformer that is expected to form a cocrystal that is more stable. There will be a competition between coformers to form the most stable product through the formation of hydrogen bonds. This will cause destabilization of the pharmaceutical products during processing or storage. Therefore, it is important to develop a mechanistic understanding of this transformation by monitoring each and every step of the reaction, employing a technique such as H-1 nuclear magnetic resonance (NMR). In this study, an in situ monitoring of a coformer exchange reaction is carried out by H-1 magic angle spinning (MAS) solid-state NMR (SSNMR) at a spinning frequency of 60 kHz. The changes in caffeine maleic acid cocrystals on addition of glutaric acid and caffeine glutaric cocrystals on addition of maleic acid were monitored. In all of the reactions, it has been observed that caffeine glutaric acid Form I is formed. When glutaric acid was added to 2:1 caffeine maleic acid, the formation of metastable 1:1 caffeine glutaric acid Form I was observed at the start of the experiment, indicating that the centrifugal pressure is enough for the formation. The difference in the end product of the reactions with a similar reaction pathway of 1:1 and 2:1 reactant stoichiometry indicates that a complete replacement of maleic acid has occurred only in the 1:1 stoichiometry of the reactants. The polymorphic transition of caffeine glutaric acid Form II to Form I at higher temperatures was a crucial reason that triggered the exchange of glutaric acid with maleic acid in the reaction of caffeine glutaric acid and maleic acid. Our results are novel since the new reaction pathways in competitive coformer exchange reactions enabled understanding the remarkable role of stoichiometry, polymorphism, temperature, and centrifugal pressure.

10acaffeine cocrystal10acoformer exchange reaction10ain situ monitoring10apolymorphism10aSolid-state NMR1 aHareendran, Chaithanya1 aAlsirawan, Bashir1 aParadkar, Anant1 aAjithkumar, T., G. uhttps://library.ncl.res.in/content/situ-monitoring-competitive-coformer-exchange-reaction-1h-mas-solid-state-nmr02101nas a2200157 4500008004100000022001400041245017600055210006900231260000900300300001400309490000700323520144700330100001801777700001901795856012901814 2024 eng d a1144-054600aIn situ synthesis of metal (Bi0)-semiconductor [BiOX (X = Cl, Br, and I)] nanocomposites as a highly effective catalyst for the reduction of 4-nitrophenol to 4-aminophenol0 aIn situ synthesis of metal Bi0semiconductor BiOX X Cl Br and I n cMAY  a9840-98550 v483 a

The reduction of 4-nitrophenol (4-NP) to 4-aminophenol (4-AP) has been efficiently catalyzed by in situ generated Bi-0-BiOX (X = Cl, Br, I) nanocomposites in the presence of sodium borohydride (NaBH4). The hierarchical 3D arrays of precursors (BiOCl, BiOBr, and BiOI) have been synthesized by a facile co-precipitation method at ambient temperature. The metallic Bi-0 is generated in situ by partial reduction of the Bi3+ ions in BiOX (X = Cl, Br, and I) mediated by NaBH4 during the conversion of 4-NP to 4-AP. In situ generated Bi-0-BiOX shows better catalytic activity than Bi-0-BiOX composite formed by mixing individually synthesized metallic Bi-0 particles with semiconducting BiOX nanoparticles. The Bi-0-BiOI nanocomposite demonstrated higher catalytic activity (k(app) = 0.529 min(-1)) compared to Bi-0-BiOCl (k(app) = 0.095 min(-1)) and Bi-0-BiOBr (k(app) = 0.098 min(-1)) due to its efficient conversion into metallic Bi-0. The approximate percentage composition of in situ generated metallic Bi-0 on the surface of BiOCl, BiOBr, and BiOI is nearly 10, 17, and 25%, respectively. Further, the reduction of 4-NP has been completed within 24, 22, and 6 minutes by in situ generated Bi-0-BiOCl, Bi-0-BiOBr, and Bi-0-BiOI nanocomposites from BiOCl, BiOBr, and BiOI, respectively. Extensive studies have been conducted to generate a better understanding of the actual catalytic sites present on the surface of the catalysts.

1 aSingh, Dinesh1 aPoddar, Pankaj uhttps://library.ncl.res.in/content/situ-synthesis-metal-bi0-semiconductor-biox-x-cl-br-and-i-nanocomposites-highly-effective02215nas a2200253 4500008004100000022001400041245013200055210006900187260000800256300001100264490000900275520129000284653001501574653004001589653002501629653003001654653002501684100002901709700003001738700002001768700001901788700002601807856012801833 2024 eng d a2210-271X00aIndazole-5-amine (AIA) as competing corrosion coating to Benzotriazole (BTAH) at the interface of Cu: A DFT and BOMD case study0 aIndazole5amine AIA as competing corrosion coating to Benzotriazo cSEP a1147620 v12393 a

This study compares three organic compounds-benzotriazole (BTAH), imidazole (IM), and indazole-5-amine (AIA)-as corrosion inhibitors for copper substrates. Using Density Functional Theory (DFT) and Born-Oppenheimer Molecular Dynamics (BOMD) calculations, it identifies AIA as a promising and cost-effective alternative to the toxic BTAH. The adsorption strength on Cu(1 0 0) surfaces is ranked AIA>BTAH>IM for both neutral and deprotonated forms. These findings are supported by electronic parameter studies, including Bader charge analysis, density of states (DOS), charge density differences (CDD), and frontier molecular orbital analysis. AIA shows the best adsorption in a parallel orientation at the top site. Packing studies reveal that hydrogen bonding stabilizes the interaction energies within self-assembled AIA aggregates. Organometallic complexation studies reveal that deprotonated BTAH exhibits higher interaction energy with a single Cu atom compared to AIA when bonded through the carbon end, consistent with the findings from BOMD studies. However, on periodic Cu surfaces, AIA outperforms BTAH molecules as seen from adsorption energies. This investigation highlights AIA's potential as a superior and more economical corrosion inhibitor for copper.

10aAdsorption10aBorn-Oppenheimer molecular dynamics10aCorrosion inhibition10aDensity functional theory10aIndazole derivatives1 aSamal, Pragnya, Paramita1 aSingh, Chandrodai, Pratap1 aTiwari, Shivani1 aShah, Vaishali1 aKrishnamurty, Sailaja uhttps://library.ncl.res.in/content/indazole-5-amine-aia-competing-corrosion-coating-benzotriazole-btah-interface-cu-dft-and00887nas a2200241 4500008004100000245012000041210006900161260000800230490000600238653001200244653002500256653002200281653001900303653001400322100002600336700002200362700003000384700002700414700001900441700002900460700002600489856013000515 2024 eng d00aInfluence of deposition potential on electrodeposited bismuth-copper oxide electrodes for asymmetric supercapacitor0 aInfluence of deposition potential on electrodeposited bismuthcop cJUN0 v710aBi2CuO410aDeposition Potential10aElectrodeposition10asupercapacitor10athin film1 aBobade, Rushikesh, G.1 aDabke, Niteen, B.1 aShaikh, Shoyebmohamad, F.1 aAl-Enizi, Abdullah, M.1 aPandit, Bidhan1 aLokhande, Balkrishna, J.1 aAmbare, Revanappa, C. uhttps://library.ncl.res.in/content/influence-deposition-potential-electrodeposited-bismuth-copper-oxide-electrodes-asymmetric01951nas a2200181 4500008004100000022001400041245014800055210006900203260000800272300001400280490000700294520122200301100003501523700003501558700002501593700002801618856012301646 2024 eng d a0887-062400aInfluence of the crystal plane orientation in enhancing the electrochemical performance of a trication-substituted cathode for Li-ion batteries0 aInfluence of the crystal plane orientation in enhancing the elec cFEB a4653-46650 v383 a

High-voltage spinel cathodes with low nickel are promising candidates for Li-ion batteries owing to their high energy and power density, thermal stability, and eco-friendliness. However, the high operating voltage (similar to 4.7 V) leads to the decomposition of electrolytes, structural disorder, and deterioration of the cathode-electrolyte interphase (CEI) as well as hinders practical capability. We have synthesized trication-substituted spinel cathode materials with exposed (111) crystal planes and truncated octahedral shapes. These materials have demonstrated high specific discharge capacity and high rate capability up to 1000 cycles with a voltage window of 3.5-5 V. The crystal plane orientation of these materials has been investigated using X-ray diffraction of electrodes and electron microscopic studies and correlated with the electrochemical performance of the surface plane of exposed cathode materials. Among the three synthesized materials, the LMNFA2 cathode has shown a specific discharge capacity of 109.29 mAh g(-1) at 1 C after 1000 cycles with a capacity retention of 76.3%, which is nearly equal to the previously reported dual-phase material with the same metal compositions.

1 aShivamurthy, Bogalera, Papaiah1 aThripuranthaka, Marulasiddappa1 aShelke, Manjusha, V.1 aNayaka, Girish, Praveen uhttps://library.ncl.res.in/content/influence-crystal-plane-orientation-enhancing-electrochemical-performance-trication02668nas 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-fitness02106nas a2200229 4500008004100000022001400041245008600055210006900141260000900210300001400219490000700233520136100240653001601601653001701617653002701634653001901661653001501680100002701695700002601722700002301748856010501771 2024 eng d a1543-838400aInsights into the structure of sucralfate by advanced solid- and liquid-state NMR0 aInsights into the structure of sucralfate by advanced solid and  cFEB  a1390-14010 v213 a

Sucralfate, which is a sucrose octasulfate aluminum complex, is an active pharmaceutical ingredient (API) falling in the category of cytoprotective agents which are very effective for gastric and duodenal ulcers. On interaction with stomach acid, it ionizes into aluminum and sucrose octasulfate ions to form a protective layer over the ulcerated region inhibiting further attack from acid. The mechanism of action of sucralfate in the context of its structure is not well understood. Considering that at least two forms of this API are available in the market, there are no reports on the various forms of sucralfate and differences in their pharmacological action. We characterized the two forms of sucralfate using multinuclear, multidimensional solid-state NMR, and the results show significant structural differences between them arising from variation in the aluminum environment and the level of hydration. The impact of structural differences on pharmacological action was examined by studying acid-induced Al release by Al-27 liquid-state NMR. The sucralfate, European pharmaceutical standard, Form I, undergoes faster disruption in acid compared to Form II. The difference is explained on the basis of structural differences in the two forms which gives significant insights into the action of sucralfate in relation to its structure.

10a(27)AlMQMAS10aH-1-H-1 DQSQ10apharmacological action10asolid-stateNMR10asucralfate1 aHareendran, Chaithanya1 aRavindranathan, Sapna1 aAjithkumar, T., G. uhttps://library.ncl.res.in/content/insights-structure-sucralfate-advanced-solid-and-liquid-state-nmr02221nas 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-and01403nas a2200157 4500008004100000022001400041245020000055210006900255260000800324300001400332490000700346520071100353100003101064700002601095856012401121 2024 eng d a1523-706000aIntegrating 3,4-Dihydro-2H-1,4-oxazine into peptides as a modification: silver triflate-catalyzed cyclization of N-Propargyl N-Sulfonyl amino alcohols for SPPS applications 0 aIntegrating 34Dihydro2H14oxazine into peptides as a modification cSEP a7584-75890 v263 a

We present a methodology yielding 3,4-dihydro-2H-1,4-oxazine by cyclization of N-propargyl N-sulfonyl amino alcohols using silver triflate as a catalyst at ambient temperature. Additionally, we showcase the applicability of this methodology in solid phase peptide synthesis (SPPS) to introduce the oxazine heterocyclic ring into short peptides containing serine and threonine. Notably, Rink amide resin supported the on-resin formation of 3,4-dihydro-2H-1,4-oxazine, while 2-CTC resin facilitated the oxazine formation in a one-pot process involving peptide cleavage, deprotection, and subsequent C-O ring formation, thus offering a versatile method for the late-stage modification of peptides.

1 aPatil, Abhijit, Ramchandra1 aMarelli, Udaya, Kiran uhttps://library.ncl.res.in/content/integrating-34-dihydro-2h-14-oxazine-peptides-modification-silver-triflate-catalyzed01234nas 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-and02499nas a2200241 4500008004100000022001400041245020000055210006900255260000800324490000700332520151900339653004401858653002501902653002601927653003301953653002201986653003602008653002202044100001702066700001902083700002402102856013102126 2024 eng d a1613-681000aInterlayer space engineering-induced pseudocapacitive zinc-ion storage in holey graphene oxide-bearing vertically oriented MoS2 nano-wall array cathode for aqueous rechargeable Zn metal batteries0 aInterlayer space engineeringinduced pseudocapacitive zincion sto cDEC0 v203 a

Transition metal dichalcogenides, particularly MoS2, are acknowledged as a promising cathode material for aqueous rechargeable zinc metal batteries (ARZMBs). Nevertheless, its lack of hydrophilicity, poor electrical conductivity, significant restacking, and restricted interlayer spacing translate into inadequate capacity and rate performance. Herein, the unique porous structure and additional functional groups present in holey graphene oxide (hGO) are taken advantage of to dictate the vertical growth pattern of oxygen-doped MoS2 nanowalls (O-MoS2/NW) over the hGO surface. Compared to conventional graphene oxide (GO), the presence of nano-pores in hGO facilitates the homogeneous dispersion of Mo precursors and provides stronger interaction sites, promoting the uniform vertical alignment of O-MoS2/NW. The synergistic interaction between O-MoS2-NW and hGO translates to enhanced electron conductivity, efficient electrolyte penetration, enhanced interlayer spacing, reduced restacking, and enhanced surface area. As a consequence of precise control of various factors that decide the overall battery performance, a high discharge capacity (227 mAh g(-1) at 100 mA g(-1)) cathode material with significantly lower charge transfer resistance (66 Omega) compared to pristine O-MoS2 (153 Omega) is developed. These findings underscore the potential of hGO as a multifunctional platform for nanoengineering high-performance cathode materials for the next generation of efficient and durable ARZMBs.

10aaqueous rechargeable zinc metal battery10aholey graphene oxide10ahydrophilicity tuning10ainterlayer space engineering10aoxygen-doped MoS210atransition metal dichalcogenide10avertical nanowall1 aBabu, Athira1 aDilwale, Swati1 aKurungot, Sreekumar uhttps://library.ncl.res.in/content/interlayer-space-engineering-induced-pseudocapacitive-zinc-ion-storage-holey-graphene-oxide02192nas 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-dimensional01023nas a2200157 4500008004100000022001400041245005400055210005400109260000900163300001400172490000700186520053800193100002100731700002400752856008900776 2024 eng d a1523-706000aIntramolecular nitrone interrupted click reaction0 aIntramolecular nitrone interrupted click reaction cMAR  a2233-22370 v263 a

We document the intramolecular interception of a Cu-catalyzed azidoalkyne cycloaddition employing a suitably placed nitrone group, providing a simple route to the unprecedented spiro-polyheterocyclic scaffold. The reaction is comprised of a Cu-catalyzed [3 + 2]-cycloaddition of (2-azidoaryl)isatogen with a terminal alkyne and the intramolecular trapping of the transient Cu-triazolide intermediate with the isatogen, with a net formation of one C-C and two C-N bonds and the new heterocyclic ring being spiro-annulated.

1 aPothi, Tejas, A.1 aRamana, Chepuri, V. uhttps://library.ncl.res.in/content/intramolecular-nitrone-interrupted-click-reaction02741nas 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-molecular02914nas a2200265 4500008004100000022001400041245014500055210006900200260000800269300001200277490000700289520193600296653002302232653001402255653003102269653003002300653004002330653002902370100002502399700002202424700002502446700002102471700002402492856013202516 2024 eng d a1380-222400aInvestigation of structural and morphological insights of nanostructured layered double hydroxides: catalytic activity in aldol condensation0 aInvestigation of structural and morphological insights of nanost cAPR a759-7780 v313 a

Layered double hydroxides (LDHs) materials finds extensive applications in numerous fields such as medical science, industrial sector, agriculture and food, catalysis, polymers, nanotechnology, etc. The LDHs properties (structural, textural, morphological, spectroscopic and theoretical insights) can be design for achieving required materials for particular application in scientific areas. In the current investigation, we have synthesized mesoporous nanostructured LDHs materials via microwave, sonication and stirring method. The nanostructured LDHs was scientifically characterized by various physico-chemical techniques like XRD, N2 sorption, TGA, solid state one-dimensional 27Al magic angle spinning NMR spectroscopy, XPS, Raman Spectroscopy, FT-IR, ICP-OES, Electron Microscopy (SEM, FE-SEM, TEM and HR-TEM), EDX, elemental analysis, etc. On the basis of experimental study, it can be evidently witnessed that nanostructured LDHs materials was formed with good crystalline mesoporous nature. Solid state 27Al NMR showed single and sharp 27Al NMR signal at chemical shift value of + 1.4 ppm, strongly suggesting the presence of octahedral (Oh) AlO6 coordination site in all as-synthesized LDHs. Microwave and sonication techniques furnishes regularly dispersed well-developed flower-shaped nanocrystals however, stirring method gives mostly agglomerated nano-sized platelets. The mechanistic insights for the fabrication of nanostructures LDHs via microwave, sonication and stirring process were also highlighted. The different LDHs materials were utilized in the aldol condensation reaction of furfural with acetone for understanding structure-activity correlation. Microwave and sonication methodologies can be further exploited for the synthesis of many other inorganic-organic nanocomposites materials with stable and good dispersion of nanocrystals in addition to desired morphology and catalytic activity.

10aAldol condensation10acatalysis10aFlower-shaped nanocrystals10alayered double hydroxides10aMicrowave and sonication techniques10aNanostructured materials1 aBhagat, Shailesh, K.1 aNagpure, Atul, S.1 aLanjewar, Mamata, R.1 aGode, Nilesh, G.1 aThakare, Sanjay, R. uhttps://library.ncl.res.in/content/investigation-structural-and-morphological-insights-nanostructured-layered-double-hydroxides00867nas a2200241 4500008004100000022001400041245012700055210006900182260000800251300001500259490000600274653001800280653001900298100002100317700002600338700001800364700002000382700002500402700003100427700002000458700002300478856012400501 2024 eng d a2365-654900aIonic liquid assisted green synthesis of quinoxaline based bisspirooxindoles: anticancer evaluation and molecular dynamics0 aIonic liquid assisted green synthesis of quinoxaline based bissp cNOV ae2024036080 v910aCycloaddition10aspirooxindoles1 aKanchrana, Madhu1 aKrishna, Gamidi, Rama1 aDey, Biswajit1 aPandey, Nandita1 aGuru, Santosh, Kumar1 aSangolkar, Akanksha, Ashok1 aPawar, Ravinder1 aBasavoju, Srinivas uhttps://library.ncl.res.in/content/ionic-liquid-assisted-green-synthesis-quinoxaline-based-bisspirooxindoles-anticancer02612nas a2200241 4500008004100000022001400041245008600055210006900141260000900210490000700219520183600226653002502062653001102087653001802098653002102116653002302137653002002160653001902180100001702199700001902216700002402235856011102259 2024 eng d a1867-388000aIron in organometallic transformations: a sustainable substitute for noble metals0 aIron in organometallic transformations a sustainable substitute  cOCT 0 v163 a

Transition metal catalysis plays a pivotal role in chemical synthesis. Noble metals often grab significant attention in organometallic catalysis due to their high reactivity. However, the serious issues associated with these metals such as low abundance, toxicity, geopolitical limitations, and volatile prices are driving the scientific community to discover sustainable alternatives. In this context, iron appears to be the first choice as an alternative metal due to its unique properties, including a range of stable oxidation states, Lewis acidity, high abundance in the earth's crust, and low toxicity. Over the past two decades, substantial progress has been made in iron catalysis. This overview examines the recent developments in iron-catalyzed industrially relevant transformations such as hydroformylation, olefin isomerization, hydrosilylation, hydrophosphination, carbonylation, Wacker-type oxidation, and plastic depolymerization. As witnessed throughout this review, the performance of iron can be significantly altered by suitable ligand selection and by tailoring the electronic and steric properties of the iron center. While noble metals remain the industry work-horse, iron is inching closer and with extensive scientific understanding, it may replace noble metals in the near future. Late transition metals catalyze several reactions and have been the industry work-horse for decades. While, earth abundant metals are rarely used in industrially relevant transformations. In this overview, we examine the recent development in iron-catalyzed industrially relevant reactions such as hydroformylation, olefin isomerization, hydrosilylation, hydrophosphination, carbonylation, Wacker-type oxidation, and plastic depolymerization. Iron is inching closer and may replace noble metals in near future. image

10aAlkene Isomerization10aalkyne10aCarbonylation10adepolymerization10aHydrophosphination10aHydrosilylation10airon catalysis1 aKumar, Rohit1 aTewari, Tanuja1 aChikkali, Samir, H. uhttps://library.ncl.res.in/content/iron-organometallic-transformations-sustainable-substitute-noble-metals00991nas a2200301 4500008004100000022001400041245009900055210006900154260000900223490000800232653001100240653001700251653003000268653001600298653001100314100002800325700002400353700002500377700002600402700002100428700001800449700001700467700001200484700002000496700002400516700001900540856013000559 2024 eng d a1385-894700aIron salicylaldehydate conjugated metal-organic framework for quasi solid-state supercapacitor0 aIron salicylaldehydate conjugated metalorganic framework for qua cSEP 0 v49610aCarbon10aconductivity10aELECTROLYTE CONCENTRATION10aperformance10aROBUST1 aMohammed, Abdul, Khayum1 aPandikassala, Ajmal1 aSanchez, Pilar, Pena1 aGaber, Safa, Abdullah1 aCanossa, Stefano1 aKurian, Maria1 aXavier, Gigi1 aHe, Yao1 aGandara, Felipe1 aKurungot, Sreekumar1 aShetty, Dinesh uhttps://library.ncl.res.in/content/iron-salicylaldehydate-conjugated-metal-organic-framework-quasi-solid-state-supercapacitor01844nas a2200265 4500008004100000022001400041245012400055210006900179260000900248300001400257490000800271520093200279653001401211653000901225653001101234653002101245653004101266100002801307700002201335700002901357700002401386700002601410700002001436856012201456 2024 eng d a1615-415000aIron-catalyzed C-C and C-N bond-forming tandem amidation offering access to 3-amino-3-aminomethyl-2-oxindole frameworks0 aIroncatalyzed CC and CN bondforming tandem amidation offering ac cJUN  a2801-28100 v3663 a

An iron-catalyzed protocol for the synthesis of 3-amino-3-aminomethyl-2-oxindole heterocyclic structures is disclosed employing isatins and non-nucleophilic N-methoxybenzamides. This reaction class is associated with broad scope and tolerates numerous functionalities, such as fluoro, chloro, bromo, iodo, trifluoromethyl, nitrile, ester, ether, and alkenyl, including heteroaryl - thiophene, benzothiophene, carbazolyl, indolyl, eugenol, and polycyclic cholesterol moieties. Detailed mechanistic investigations reveal that the reaction proceeds via iron-catalyzed N-O bond cleavage in N-methoxybenzamides, generating formaldehyde and benzamide, and through the intermediacy of isatin-ketimines and N-(hydroxymethyl)benzamides. Overall, this amidation reaction involves one C-C and two C-N bond-forming tandem processes, providing a range of beta-amino-aminomethyl-oxindoles (45 examples) in up to 88% yields. image

10abenzamide10airon10aIsatin10atandem amidation10atetrasubstituted carbon stereocenter1 aAnkade, Shidheshwar, B.1 aPradhan, Chandini1 aSamal, Pragnya, Paramita1 aGonnade, Rajesh, G.1 aKrishnamurty, Sailaja1 aPunji, Benudhar uhttps://library.ncl.res.in/content/iron-catalyzed-c-c-and-c-n-bond-forming-tandem-amidation-offering-access-3-amino-302631nas a2200205 4500008004100000022001400041245009200055210006900147260000800216490000700224520194000231100001702171700001902188700001702207700001802224700002102242700001702263700002402280856012102304 2024 eng d a2044-475300aIron-catalyzed (E)-selective hydrosilylation of alkynes: scope and mechanistic insights0 aIroncatalyzed Eselective hydrosilylation of alkynes scope and me cMAY0 v143 a

Iron-catalyzed hydrosilylation of internal alkynes has been rarely reported. Even in these rare cases, additives have been used for the success of the reaction, which often creates a problem for the functional group tolerance of the reaction. Herein, we report an additive-free iron-catalyzed (E)-selective hydrosilylation of internal alkynes in the presence of a phosphine ligand. A low-valent Fe(0) complex [Fe(CO)(3)(BDA)] {[Fe-1]} catalyzed the hydrosilylation of alkynes at 60 to 120 degrees C, exhibited a broad substrate (24 substrates) scope and tolerated different functional groups. The synthetic utility of the reaction was demonstrated by a gram scale experiment, preparing alkenes, and by chemo-selective hydrosilylation. The modus operandi of the reaction has been investigated by i) homogeneity test, ii) radical trapping experiments, iii) X-ray photoelectron spectroscopy, and iv) by preparing a Fe(II) complex as catalyst control. These mechanistic investigations revealed a two-electron pathway for the hydrosilylation of alkynes. In addition, kinetic investigations were undertaken to shed light on the rates of the reaction. Kinetic studies suggest the absence of an induction period, and the reaction is first order with respect to the concentration of iron catalyst [Fe-1] and zeroth order with respect to the substrate (alkyne). The Hammett plot suggests that strongly electron-withdrawing groups on the alkyne favour the hydrosilylation reaction. Meanwhile Eyring analysis suggests that the rate-determining step likely involves an associative pathway. Based on the findings of the mechanistic and kinetic investigation, a plausible Chalk-Harrod-type mechanism is likely to be operative. The proposed mechanism is substantiated by computational investigations, which suggested that the Chalk-Harrod mechanism is kinetically more favored by 15.8 kcal mol(-1) over the modified Chalk-Harrod mechanism.

1 aSen, Anirban1 aTewari, Tanuja1 aKumar, Rohit1 aVinod, C., P.1 aSharma, Himanshu1 aVanka, Kumar1 aChikkali, Samir, H. uhttps://library.ncl.res.in/content/iron-catalyzed-e-selective-hydrosilylation-alkynes-scope-and-mechanistic-insights02435nas 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-annulata03438nas a2200181 4500008004100000245011500041210006900156260000800225300001400233490000600247520276100253100001803014700003103032700001903063700002203082700002103104856013103125 2025 eng d00aImmobilization of aldehyde reductase for the production of bioplastic precursors from agricultural fatty acids0 aImmobilization of aldehyde reductase for the production of biopl cJUL a3910-39140 v33 a
Herein, we report the biosynthesis of bioplastic precursors thourgh the immobilization of aldehyde reductase (AHR) onto a metal organic framework (UIO-66-NH2). Kinetic analysis demonstrated that the immobilized AHR maintained significant catalytic activity and exhibited improved operational stability, as well as higher reusability, compared with the free AHR. Furthermore, the synthetic applicability of the immobilized AHR was evaluated in tandem with that of transaminase derived from S. pomeroyi (spTA), where 8, 10, and 12 carbon chain ω-amino fatty acids (ω-AFAs) were biosynthesized from the corresponding hydroxy fatty acids (ω-HFAs) with ∼90% conversions.
Herein, we report the biosynthesis of bioplastic precursors via the immobilization of aldehyde reductase (AHR) onto a metal organic framework (UIO-66-NH2).

 

1 aMohne, Devesh1 aReddy, Yeddula, Nikhileshw1 aRawat, Kshitij1 aPatil, Mahesh, D.1 aBhaumik, Jayeeta uhttps://library.ncl.res.in/content/immobilization-aldehyde-reductase-production-bioplastic-precursors-agricultural-fatty-acids02500nas a2200217 4500008004100000022001400041245008500055210006900140260000800209300001200217490000700229520177900236653002002015653002702035653003402062653001502096653001902111100002002130700002102150856011102171 2025 eng d a2214-552400aImpact of gravitational forces on Red Blood Cell dynamics in biofluid suspension0 aImpact of gravitational forces on Red Blood Cell dynamics in bio cNOV a197-2100 v473 a

The growing interest in space exploration and human spaceflight has highlighted the critical challenges posed by microgravity on human physiology. Among these, a significant issue is space anemia, which adversely affects Red Blood Cells (RBC) and alters its behavior. RBC depends on biofluids, for their systemic transport, a process that experiences disruption in the microgravity environment. This study aims to quantitatively address the puzzle of how red blood cells are influenced by gravity when they are suspended in bio-fluid. Dissipative Particle Dynamics (DPD) approach was used to model blood and the cell by applying gravity as an external force along the vertical axis and varied from 0g to 2g during parameter sweeps. Key metrics, including Elongation and Deformation indices, pitch angle, and normalized center of mass, were utilized to assess cellular behavior. Results revealed that gravity induces shape changes and spatial alignment in red blood cells. The Elongation Index and the normalized center of mass declined linearly with the applied gravity. Correlation analysis showed a strong correlation between applied gravity and the aforementioned variables. Additionally, forces acting on the cell, such as drag, shear stress, and solid forces, diminished as gravitational force increased. Further analysis indicates that increasing gravity affected the cell's velocity, resulting in prolonged proximity to vessel walls and intensified viscous interactions with surrounding fluid particles, thereby triggering morphological changes. This study provides crucial insights into the biophysical effects of gravity on the red blood cell and presents a significant step toward understanding cellular dynamics under altered gravitational conditions.

10aAltered gravity10aComputational modeling10aDissipative Particle dynamics10aFluid flow10aRed Blood Cell1 aMurali, Anirudh1 aSarkar, Ram, Rup uhttps://library.ncl.res.in/content/impact-gravitational-forces-red-blood-cell-dynamics-biofluid-suspension02343nas a2200277 4500008004100000022001400041245015600055210006900211260000900280300001400289490000700303520134000310653005801650653002101708653002801729653002601757653001701783100001701800700002001817700001901837700001801856700001801874700003101892700002001923856012201943 2025 eng d a1060-132500aAn improved one-pot synthesis of polydichlorophosphazene from ammonium sulfate and phosphorus pentachloride and assessment of its stability in solution0 aimproved onepot synthesis of polydichlorophosphazene from ammoni cNOV  a1016-10260 v623 a

Polyphosphazenes, with their synthetic flexibilities, can be tailored to achieve various desirable properties. The synthesis of basic linear polymer polydichlorophosphazene (PDCP) free of branching and crosslinking is the most challenging step, and its extreme sensitivity to moisture makes storage and handling difficult. In the reaction of (NH4)2SO4and PCl5 (1:4.5 mole ratio) via one-pot two-step method, the monomer [Cl3PNP(O)Cl2] synthesized from the 1st step directly undergoes bulk polycondensation (2nd step) to produce PDCP. Due to impurities, the produced PDCP is afflicted by frequent branching, cyclic oligomers, and crosslinking. We are reporting an improved one-pot synthesis coupled with an in-situ purification step of the monomer (as confirmed by 31P NMR) with little excess PCl5 in mole ratio (1:4.6-1:4.8). Further, the stability of PDCP and its solutions in toluene and THF have been examined under an inert atmosphere at three different temperatures: room temperature, 0 degrees C-4 degrees C, and -25 degrees C. These stored samples were monitored for cross-linking, gelling, or any other degradation by characterizing through 31P NMR for the appearance of additional peaks. The PDCP can be stored at -25 degrees C for 2 months (pure) and 4 months (toluene) without any deterioration in its structure.

10aP-trichloro-N-(dichloromonophosphoryl)monophosphazene10aPolycondensation10aPolydichlorophosphazene10astability in solution10astorage life1 aYadav, Abhay1 aYadav, Prashant1 aNewale, S., P.1 aSrivastav, V.1 aSingh, A., P.1 aShanmuganathan, Kadhiravan1 aSikder, Nirmala uhttps://library.ncl.res.in/content/improved-one-pot-synthesis-polydichlorophosphazene-ammonium-sulfate-and-phosphorus01914nas a2200229 4500008004100000022001400041245012900055210006900184260000900253300001100262490000800273520114500281653000901426653001901435653000801454653000801462653000801470100002701478700002501505700002601530856012801556 2025 eng d a0360-319900aIn silico designing of electrocatalysts for hydrogen evolution reaction: a focus on titanium metal-based diboride monolayers0 aIn silico designing of electrocatalysts for hydrogen evolution r cJUN  a91-1000 v1333 a

Enhancing the efficiency of Hydrogen Evolution Reaction (HER) using chemically modified electrocatalytic titanium diboride surfaces with transition metal-based Single Atom Catalysts (SACs) is illustrated using Density Functional Theory (DFT) based methods employing solvent effects. With higher surface concentrations of nonmetal boron rather than titanium metal, these highly conductive, extremely hard, chemically, and thermally stable electrocatalysts are more cost-effective and superior to their MBene analogs. A systematic analysis of these transition metal-based SACs from the 3d, 4d, and 5d groups embedded in TiB2 monolayer for its HER activity reveals the reduction in limiting potential. As the most effective SAC for improved HER, Zn@TiB2 SAC has a limiting potential of 0.08 eV in acidic and 0.21 eV in alkaline media. The higher exchange current density of Zn@TiB2 (5.74 x 10-5 A cm-2), which exceeds most previously reported electrocatalysts, indicates exceptional HER performance. This work shows that transition metal boride electrocatalysts are economically viable for HER and pave a path for experimentalists.

10aAIMD10aD -band center10aDFT10aHER10aSAC1 aShivankar, Bhavana, R.1 aVerma, Tushar, Singh1 aKrishnamurty, Sailaja uhttps://library.ncl.res.in/content/silico-designing-electrocatalysts-hydrogen-evolution-reaction-focus-titanium-metal-based02916nas 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-catalyst02658nas a2200205 4500008004100000022001400041245013400055210006900189260000800258300001600266490000700282520189500289100002502184700002202209700002102231700002102252700002502273700002202298856013202320 2025 eng d a0887-062400aIn situ solid-state synthesis of nitrogen-enriched porous carbon nanosheets from petroleum coke for lithium-ion hybrid capacitors0 aIn situ solidstate synthesis of nitrogenenriched porous carbon n cMAY a10053-100690 v393 a

Lithium-ion capacitors (LICs) have emerged as a next-generation energy storage technology, offering a unique balance between the high energy density of lithium-ion batteries and the fast charge-discharge capability of supercapacitors. However, the development of high-performance anode materials remains a major challenge due to the trade-off between capacity, rate capability, and long-term cycling stability. Herein, we report a novel in situ solid-state synthesis approach for the scalable production of nitrogen-enriched porous carbon nanosheets (mBG1) from petroleum coke, an abundant industrial byproduct. The hierarchical porosity and optimized nitrogen functionalities of mBG1 facilitate rapid lithium-ion diffusion, enhanced electronic conductivity, and robust structural stability. Electrochemical characterization in lithium-ion half-cells demonstrates an exceptional specific capacity of 388 mAh g-1 at 0.1 A g-1, with an outstanding capacity retention of 92.7% over 1000 cycles (261.2 mAh g-1) at 1 A g-1. To validate its practical applicability, a full LIC coin cell was fabricated using mBG1 as the anode and commercial super activated carbon (super AC) as the cathode, achieving a specific capacitance of 44 F g-1 at 1 A g-1, a high energy density of 93.29 Wh kg-1 at 0.5 A g-1, and an impressive power density of 20.34 kW kg-1 at 10 A g-1, with 74% capacitance retention after 5000 cycles. The integration of ultrahigh nitrogen doping, hierarchical porosity, and scalable synthesis techniques offers a new pathway for designing next-generation lithium-ion capacitors with enhanced efficiency, stability, and economic viability. These findings establish mBG1 as a high-performance, scalable, and sustainable anode material for next-generation LICs, offering a transformative pathway for the valorization of petroleum coke in advanced energy storage applications.

1 aBenoy, Santhi, Maria1 aDas, Anoushka, K.1 aSarmah, Debashis1 aPawar, Meenakshi1 aShelke, Manjusha, V.1 aSaikia, Binoy, K. uhttps://library.ncl.res.in/content/situ-solid-state-synthesis-nitrogen-enriched-porous-carbon-nanosheets-petroleum-coke-lithium02060nas a2200193 4500008004100000022001400041245013600055210006900191260000800260490000700268520132600275653002501601653002401626653003301650100001801683700002101701700001901722856012501741 2025 eng d a1434-194800aAn in-depth study of the Fe-Se system at the nanoscale reveals remarkable results on the electrocatalytic oxygen evolution reaction0 aindepth study of the FeSe system at the nanoscale reveals remark cMAR0 v283 a

A catalyst for an electrocatalytic oxygen evolution reaction (OER) is a key component of the large-scale storage of renewable energy through the conversion of water into oxygen and hydrogen. Iron-based selenide materials are currently being considered as potential options for electrocatalytic oxygen evolution reaction (OER) because of their, widespread availability, low cost, and outstanding performance. In this study, we employed a thermal decomposition method to synthesize all stable phases of the Fe-Se system, including Fe7Se8, Fe3Se4, FeSe2, and FeSe. Additionally, we slurry-coated these phases onto a three-dimensional (3D) nickel foam substrate. The prepared 3D electrodes of Fe7Se8, Fe3Se4, FeSe2, and FeSe exhibit remarkably low overpotentials of 270, 276, 299, and 289 mV at a current density of 50 mA/cm2 for OER. In addition, the catalytic activity for OER is also tested on glassy carbon electrodes to compare its performance with the Ni-foam 3D substrate. The Fe7Se8 phase in the Fe-Se system exhibits the highest catalytic activity towards OER on both substrates due to variations in the Fe2+/Fe3+ ratio and the presence of Fe vacancies (cation vacancies) within the crystal lattice. Moreover, a faradaic efficiency of 98 % was exhibited by Fe7Se8 for the oxygen evolution reaction (OER).

10aIron selenide system10aOER electrocatalyst10aThermal decomposition method1 aSingh, Dinesh1 aGhalawat, Monika1 aPoddar, Pankaj uhttps://library.ncl.res.in/content/depth-study-fe-se-system-nanoscale-reveals-remarkable-results-electrocatalytic-oxygen02385nas a2200205 4500008004100000022001400041245012300055210006900178260000800247300001600255490000700271520162000278100002601898700002101924700002501945700002801970700002701998700002502025856012902050 2025 eng d a2050-750X00aInfluence of hydrophilic/hydrophobic diols on the properties of polyurethane hydrogels: solvent-free one-pot synthesis0 aInfluence of hydrophilichydrophobic diols on the properties of p cSEP a11010-110190 v133 a

Herein, we report the design and synthesis of bio-degradable porous polyurethane hydrogels by a green, solvent-free, one-pot technique that can withstand physiological mechanical loads and aid in tissue regeneration. The hydrophilic/hydrophobic nature of the hydrogel was tuned using diols such as polycaprolactone diol (PCL) and polycarbonate diol (PCD), in combination with polyethylene glycol (PEG, MW approximate to 4000 g mol-1), 4,4 `-methylene bis(cyclohexyl isocyanate) (H12MDI) and hexanetriol (HT), which served as crosslinking agents. The structural characterizations of the hydrogels were performed using FT-IR as well as 1H and 13C high resolution magic angle spinning nuclear magnetic resonance (HR-MAS) spectroscopy. The utilization of various diols in the synthesis of the hydrogels enabled precise control over crystallinity, pore sizes, and customization of mechanical and degradation properties. These hydrogels exhibited tensile strength in the range of 0.22-1.48 MPa, while their compressive strength varied from 0.92 to 29.3 MPa. In vitro degradation profiles in the presence and absence of the enzyme Amano lipase PS revealed that the degradation process is contingent upon the specific diol present in the hydrogel. Furthermore, preliminary in vitro biological experiments confirmed the biocompatibility of the gels, indicating their potential as suitable substrates for drug delivery applications. This diverse library of gels can be shaped into specific forms, highlighting their promising applications as scaffolds and implants in drug delivery systems and tissue engineering.

1 aDivakaran, Anumon, V.1 aNair, Sanoop, B.1 aKarambe, Shivani, S.1 aWadgaonkar, Prakash, P.1 aNair, Kiran, Sukumaran1 aBadiger, Manohar, V. uhttps://library.ncl.res.in/content/influence-hydrophilichydrophobic-diols-properties-polyurethane-hydrogels-solvent-free-one02424nas a2200265 4500008004100000022001400041245012000055210006900175260000800244300001100252490000800263520154000271653002201811653001801833653001801851653001601869653001701885653002601902100002001928700002101948700001901969700001901988700002602007856012502033 2025 eng d a0921-452600aInfluence of ionic radius on structural, optical and multiferroic properties of RMnO3 [R= Y, Er, Yb] hexamanganites0 aInfluence of ionic radius on structural optical and multiferroic cOCT a4174960 v7143 a

The crystalline samples of YMnO3, ErMnO3, and YbMnO3 were synthesized by a conventional solid-state reaction technique. The single-phase hexagonal structure with the P63cm space group was verified by X-ray diffraction (XRD) study. Morphological studies show that the grains are uniform and closely packed, and that the grain size increases as the ionic radii of the rare-earth ions decrease of rare earth ions and the samples are in the stoichiometry. From the Diffused Reflectance Spectroscopy study, narrow optical band gap is observed for all the samples. Magnetic phase transitions, corresponding to the antiferromagnetic ordering, were detected for all samples. The Neel temperature was found to increase with the decrease of the ionic radii of A site element in RMnO3 (Y, Er, and Yb) samples. Ferroelectric hysteresis loops at room temperature as a function of applied electric fields reveal the leaky behaviour. The dielectric constant and dielectric loss tangent variation across different frequencies are also explored for these samples. A summary and discussion of the structural, optical, magnetic and ferroelectric properties, underlying physical mechanisms, the role of the rare earth ions, and the complex interactions in hexagonal manganites, are presented in this paper. This work emphasizes how systematic variation of A-site ionic radii influences the multiferroic properties of RMnO3, gaining thorough insights into structure-property relationships that are essential to design multifunctional materials.

10aAntiferromagnetic10aferroelectric10aMultiferroics10aPerovskites10aPhotovoltaic10aRecombination centers1 aInchara, D., R.1 aSingh, Kirandeep1 aSangole, Mayur1 aMurari, M., S.1 aDaivajna, Mamatha, D. uhttps://library.ncl.res.in/content/influence-ionic-radius-structural-optical-and-multiferroic-properties-rmno3-r-y-er-yb01947nas a2200253 4500008004100000022001400041245013800055210006900193260000800262300000700270490000800277520104200285653002901327653002001356653002901376653002401405100002501429700002001454700002201474700002801496700002301524700002201547856012401569 2025 eng d a0974-362600aInfluence of physicochemical properties of seed on template-free ferrierite synthesis and its application in oleic acid isomerization0 aInfluence of physicochemical properties of seed on templatefree  cJUL a620 v1373 a

We have reported an effective, seed-assisted organic structure directing agent (OSDA) free synthesis of ferrierite (FER) zeolites. In the current study, we have observed effects of physicochemical properties of two different seeds over synthesis of FER zeolites. The physicochemical properties of seeds, such as particle size and phase purity impart significantly over crystallization time and overall synthesis duration, costs of process and crystalline nature of FER zeolites. It is noteworthy that particle size of seed mainly affects the kinetics of crystallization for concerned FER zeolites. The synthesized zeolites were well characterized by XRD, FESEM, TEM, Raman spectroscopy, 27Al and 29Si MAS NMR, EDAX and BET surface area analyser to get more insights. We also evaluated, the catalytic activity of synthesized FER zeolites in oleic acid isomerization study to derive branched-chain fatty acids formation and attempted their structure and catalytic activity relationship with respect to purity of phases in seed.

10acrystallization kinetics10aFerrierite seed10aoleic acid isomerization10aOSDA-free synthesis1 aPatil, Shrinidhi, D.1 aMohanty, Ananya1 aKudalkar, Mahadev1 aNiphadkar, Prashant, S.1 aBhatte, Kushal, D.1 aBokade, Vijay, V. uhttps://library.ncl.res.in/content/influence-physicochemical-properties-seed-template-free-ferrierite-synthesis-and-its02655nas a2200277 4500008004100000022001400041245013400055210006900189260000800258490000600266520167900272653002101951653003901972653001402011653002602025653002402051100001702075700002102092700001602113700003602129700001902165700002302184700002102207700001902228856013002247 2025 eng d a2366-960800aInsights into electrolyte-solvent interactions and SEI formation for sustainable sodium-ion battery operation at low temperatures0 aInsights into electrolytesolvent interactions and SEI formation  cSEP0 v93 a

Sodium-ion batteries (SIBs) show promise as an alternative to lithium-ion batteries. However, they face performance challenges at ultra-low temperatures (<-40 degrees C) due to slow Na+ transfer kinetics with conventional electrolytes. This limitation restricts their use in extreme environments such as polar regions and outer space. The presented systematic study addresses this challenge by modulating and tailoring the electrolyte composition for SIBs, enabling ultra-low temperature operation down to -110 degrees C for the first time. The comprehensive molecular dynamic and density functional theory calculations combined with experimental Raman spectroscopy and nuclear magnetic resonance studies of advanced electrolytes provided a deeper mechanistic understanding of the solvation structures and their impact on electrochemical performance. By varying the solvent composition with a combination of tetrahydrofuran and 2-Methyltetrahydrofuran solvents and sodium hexafluorophosphate (NaPF6) salt, the freezing point, solubility, and Na+ solvation structure of the electrolyte is modulated and studied in detail. The extensive anion engagement in the optimized mix solvent electrolyte facilitated the formation of a stable and inorganic-rich solid electrolyte interphase layer, ensuring low overpotentials and uniform Na+ deposition, yielding superior cycling stability. As a result, the developed electrolyte enables SIBs to achieve reversible capacities of 88 mAh g(-1) at -60 degrees C and 50 mAh g(-1) at -100 degrees C. These insights may contribute to developing improved energy storage devices suitable for challenging environmental conditions.

10acontact-ion pair10asolid electrolyte interphase (SEI)10asolvation10aultra-low temperature10aXPS-depth Profiling1 aKim, Soohwan1 aMirzapure, Vinay1 aAtwi, Rasha1 aKoppisetti, Heramba, V. S. R. M1 aWasnik, Kundan1 aRajput, Nav, Nidhi1 aShelke, Manjusha1 aPol, Vilas, G. uhttps://library.ncl.res.in/content/insights-electrolyte-solvent-interactions-and-sei-formation-sustainable-sodium-ion-battery01871nas a2200241 4500008004100000022001400041245012500055210006900180260000800249300001400257490000800271520104600279100001801325700002901343700001701372700001901389700001601408700002101424700001801445700001601463700002301479856012701502 2025 eng d a1520-610600aInsights into the Chemical Durability and Structure of ZnO-Incorporated Sodium Borosilicate Glasses from Solid-State NMR0 aInsights into the Chemical Durability and Structure of ZnOIncorp cJUL a7349-73600 v1293 a

ZnO-incorporated NBS glasses have been studied for their application as a matrix for nuclear waste immobilization. However, structural factors affecting chemical durability have not been established. In this study, the structural changes in NBSZn glasses across various Na2O/(B2O3 + ZnO) ratios are explored using multinuclear MAS, MQMAS NMR, and EXAFS techniques. The Na MAS and MQMAS studies reveal remarkable changes in the Na environment after ZnO incorporation, which leads to an increase in chemical durability. Based on the results from NMR and EXAFS, we rationalized the structure of this glass in terms of the modified random network (MRN) model. The glass network comprises a highly polymerized region and alkali percolation channels bordered by nonbridging oxygens from the depolymerized regions. The constriction of these percolation channels increases the chemical durability of the glass. Our findings will help in the advancement of Zn-containing NBS glasses as a promising matrix for nuclear waste immobilization.

1 aIllath, Kavya1 aAnanthanarayanan, Arvind1 aBanerjee, D.1 aMishra, R., K.1 aKumar, Ravi1 aBhattacharya, D.1 aKumar, Sanjay1 aManohar, S.1 aAjithkumar, T., G. uhttps://library.ncl.res.in/content/insights-chemical-durability-and-structure-zno-incorporated-sodium-borosilicate-glasses02711nas a2200253 4500008004100000022001400041245012900055210006900184260000900253300001100262490000800273520181700281653002302098653002902121653001702150653001502167653003902182653002502221100002102246700002502267700001602292700002102308856012802329 2025 eng d a0006-291X00aIntegrated analysis of mitochondrial ETC inhibition reveals genotype-specific heterogeneity of drug response in glioblastoma0 aIntegrated analysis of mitochondrial ETC inhibition reveals geno cNOV  a1527980 v7873 a

Glioblastoma (GBM) is among the most aggressive brain cancers, driven by genetic diversity and resistance to therapy. Mitochondrial metabolism-and in particular the electron transport chain (ETC)-has emerged as both a key weakness and a source of variable drug response. To investigate this, we integrated constraint-based metabolic modeling (CBM), high-resolution drug profiling, and genomic sequencing across three GBM cell models: LN229, U87MG, and neurospheres (NSP). Modeling predicted distinct ETC vulnerabilities, which were confirmed experimentally using inhibitors against Complexes I-V. Sensitivity to rotenone varied sharply: NSP cells were most vulnerable (IC50 = 0.007 mu M), LN229 showed intermediate sensitivity (0.021 mu M), and U87MG remained highly resistant (1.816 mu M). Across inhibitors, LN229 consistently showed steep dose-response slopes, U87MG maintained flat curves, and NSP displayed selective weaknesses. By incorporating slope (m) and Instantaneous Inhibitory Potential (IIP), median-effect analysis captured dynamic drug-response behaviour's that IC50 values alone overlooked. Genomic sequencing revealed striking differences in mutational burden: U87MG and NSP carried 354 and 307 single nucleotide polymorphisms (SNPs), respectively, compared with 141 in LN229. Several non-synonymous mutations were directly linked to altered drug sensitivity, including L194S, Y50 N, and L46V in LN229; S456L, A466T, and Y629F in U87MG; and the NSP-specific R159Q. Notably, mutations near catalytic sites correlated with changes in slope and IIP, providing mechanistic insight into therapeutic response. Together, these results show how genetic variation reshapes ETC function and drug sensitivity in GBM, offering a predictive framework for mutation-informed, personalized therapy.

10aDrug dose response10aElectron transport chain10aGlioblastoma10aIC50 value10aInstantaneous inhibitory potential10aMitochondrial genome1 aBelekar, Madhuri1 aKavatalkar, Vijendra1 aYadav, Ritu1 aRaghunathan, Anu uhttps://library.ncl.res.in/content/integrated-analysis-mitochondrial-etc-inhibition-reveals-genotype-specific-heterogeneity02257nas a2200265 4500008004100000022001400041245008600055210006900141260000900210490000700219520138700226653001601613653001501629653003901644653002001683653001201703100001701715700002201732700002901754700002201783700002501805700002601830700002001856856011501876 2025 eng d a1864-563100aIntegrated flue gas CO2 capture and conversion to formate: a sustainable approach0 aIntegrated flue gas CO2 capture and conversion to formate a sust cDEC 0 v183 a

Industrial CO2 emissions, characterized by dilute streams and impurity complexity, demand energy-efficient mitigation strategies beyond conventional capture technologies. Here, an integrated CO2 capture and conversion (ICCC) system is reported employing a heterogenized iridium catalyst-hydroxyquinoline-ligated Cp*Ir-Cl immobilized on amine-functionalized silica-that directly converts CO2 from synthetic flue gas containing SOx, NOx, and O2 to formate with 100% selectivity. The catalyst delivers remarkable activity, achieving turnover numbers up to 10,286 within 16 h. Density functional theory reveals that its square pyramidal geometry, induced by the hydroxyquinoline ligand, enhances Ir-N(ring) bond strength and electronic delocalization, thereby improving hydration energy, structural robustness, and catalytic efficiency. Importantly, the catalyst system demonstrates excellent durability, maintaining full activity over five regeneration cycles. Hydrogenation in a 1 M DABCO medium, followed by thermal decomposition of the amine-formate adduct at 150 degrees C, enables efficient lean amine regeneration, allowing subsequent flue gas capture and formate production without performance loss. This closed-loop strategy delivers a sustainable, contaminant-tolerant, and recyclable CO2-to-formate platform with strong promise for scalable industrial deployment.

10aCO2 capture10aflue gases10aintegrated capture and conversions10anet zero future10aRecycle1 aKumar, Rohit1 aMajumder, Supriyo1 aSingh, Chadrodai, Pratap1 aSamanta, Chanchal1 aNewalkar, Bharat, L.1 aKrishnamurty, Sailaja1 aDas, Raj, Kumar uhttps://library.ncl.res.in/content/integrated-flue-gas-co2-capture-and-conversion-formate-sustainable-approach02994nas a2200301 4500008004100000022001400041245017000055210006900225260000800294300001100302490000800313520193900321653001802260653001602278653001502294653001602309653001802325653002402343100002302367700001902390700002502409700002202434700003002456700002102486700002702507700002702534856013102561 2025 eng d a0882-401000aAn integrated paradigm to understand the antibacterial and antifungal potential of bimetallic core-shell platinum silver (Pt@Ag) nanoparticles: A one health approach0 aintegrated paradigm to understand the antibacterial and antifung cDEC a1081200 v2093 a

The concurrent occurrence of various microbial infections escalates the need to develop new treatments that can tackle multiple microbes and improve clinical outcomes. This study reports the synthesis and comprehensive evaluation of core-shell platinum-silver nanoparticles (Pt@AgNPs) designed to elucidate the antimicrobial effects while ensuring biocompatibility. The synthesis protocol was meticulously optimized to investigate the impact of precursor concentrations and reagent conditions. High-end characterization confirmed the formation of a welldefined core-shell structure with spherical morphology, crystalline nature, a face-centred cubic (FCC) lattice, high monodispersity, and stability, with a mean size of 20.344 +/- 4.492 nm. The antimicrobial potential of Pt@AgNPs was validated through a minimum inhibitory concentration (MIC) assay, revealing potent activity with MIC values of 15.6 mu g/mL for Pseudomonas aeruginosa and Staphylococcus aureus and 3.9 mu g/mL for Escherichia coli. Antibiofilm assay demonstrated significant inhibition of biofilm formation by P. aeruginosa at concentrations as low as 3.9 mu g/ml. The nanoparticles also exhibited notable antifungal activity, as indicated by an inhibition of 65.19 % for Aspergillus niger and 61.82 % for Fusarium verticillioides. Furthermore, hemocompatibility was noticed with the hemolysis assay, and the antioxidant properties of nanoparticles, assessed through the 2,2-diphenyl-1-picrylhydrazyl (DPPH) assay, underscored their potential to mitigate oxidative stress. This integrative study positions Pt@AgNPs as a promising platform for combating the occurrence of co-infections. The core-shell nanoparticle serves as a versatile tool in antimicrobial defence, exhibiting antibacterial, antifungal, antibiofilm, and antioxidant activity. Thus, it highlights their commercial translational potential as a next-generation antimicrobial intervention.

10aAntibacterial10aantibiofilm10aantifungal10aAntioxidant10aCo-infections10aPt@Ag nanoparticles1 aBamb, Aagam, Lalit1 aVarma, Sanjana1 aGade, Tejas, Subhash1 aPalaskar, Shahaji1 aVamkudoth, Koteswara, Rao1 aVyawahare, Niraj1 aChaudhari, Pallavi, M.1 aChaudhari, Bhushan, P. uhttps://library.ncl.res.in/content/integrated-paradigm-understand-antibacterial-and-antifungal-potential-bimetallic-core-shell02285nas a2200181 4500008004100000022001400041245008600055210006900141260000800210300001600218490000700234520166200241100001501903700002001918700002601938700002101964856011801985 2025 eng d a1528-748300aIntegrating thermal actuation and acidochromism in schiff base molecular crystals0 aIntegrating thermal actuation and acidochromism in schiff base m cDEC a10527-105400 v253 a

Crystalline materials capable of responding to multiple external stimuli have garnered considerable attention in recent years due to their promising potential for various applications in smart materials, sensing, and actuation. In this paper, we report the synthesis and characterization of two developed linker-based Schiff base molecular crystals, designated as 1 and 2, both of which exhibit two distinct reversible stimuli-responsive behaviors: (i) a thermal expansion-contraction response during repeated heating and cooling cycles and (ii) a reversible acidochromic color change upon sequential exposure to acidic and basic vapors. Importantly, these two reversible responses are governed by entirely distinct underlying processes. The thermal expansion-contraction behavior is driven by a martensitic phase transition, from a low-temperature phase to a high-temperature phase, which involves rapid and reversible lattice displacive rearrangements. In contrast, the acidochromic color change arises from a disruption in the electronic conjugation within the molecular framework, where the system undergoes a transformation from an A-pi-D-pi-A (acceptor-pi-donor-pi-acceptor) configuration to an A-pi-A-pi-A (acceptor-pi-acceptor-pi-acceptor) configuration upon protonation, manifested by a distinct shift in optical absorption properties. The unique combination of these two reversible phenomena-thermal expansion-contraction and acidochromic responses-within a single material system offers significant potential for advanced applications, particularly in the development of acid-sensitive sensors and thermally responsive microactuators.

1 aNag, Sayak1 aBhowmik, Aritra1 aMishra, Manish, Kumar1 aGhosh, Soumyajit uhttps://library.ncl.res.in/content/integrating-thermal-actuation-and-acidochromism-schiff-base-molecular-crystals02891nas a2200229 4500008004100000022001400041245011200055210006900167260000800236300000800244490000800252520211300260653000902373653001202382653002002394653001802414653003302432653002002465100002002485700002402505856013202529 2025 eng d a0032-093500aIntegrative multi-omics and computer-aided biofungicide design approach to combat fusarium wilt of chickpea0 aIntegrative multiomics and computeraided biofungicide design app cSEP a1070 v2623 a

Main conclusionIntegrating multi-omics and computer-aided drug discovery approaches can overcome the limitations of traditional methods and help develop highly effective, specific, and environmentally safe biofungicides to control crop diseases.AbstractChickpea is a valuable legume crop in terms of nutrition, food security, economic sustainability, and environmental benefits. Fusarium wilt caused by the soil-borne fungus Fusarium oxysporum f.sp. ciceri is one of the most important diseases affecting chickpea. Several disease management methods, including crop rotation, soil fumigation with chemical fungicides, soil solarization, etc., are practiced to manage the disease. However, these methods have various limitations and cannot completely control the disease. Moreover, chemical fungicides indiscriminately kill even the beneficial soil microbes, pollute groundwater, and enter the food chain. Hence, modern approaches emphasizing innovative strategies and technologies need to be explored to manage the disease effectively. In this review, we propose integrating multi-omics (genomics, proteomics, metabolomics, etc.) and computer-aided drug discovery (CADD) approaches to develop biofungicides targeting vital pathogen proteins. Multi-omics approaches can delve deeper into the plant-pathogen interaction and reveal essential pathogen genes or proteins. These proteins could be targeted using CADD to identify phytochemical-based potential biofungicides, either using structure- or ligand-based drug design approaches. The potential biofungicides can be subjected to the prediction of carcinogenicity, hepatotoxicity, mutagenicity, etc., to identify biofungicides that are safe to use and are highly specific to the target pathogen. In vivo and in vitro validation studies can be followed to establish the efficacy and safety of the identified biofungicides for their practical application. This integrated approach can reduce the time and cost compared to the traditional methods and accelerate the discovery of highly effective biofungicides to protect crops from various diseases.

10aCADD10adocking10aFungal diseases10aMD Simulation10aProtein structure prediction10aTranscriptomics1 aSahoo, Rosaleen1 aKadoo, Narendra, Y. uhttps://library.ncl.res.in/content/integrative-multi-omics-and-computer-aided-biofungicide-design-approach-combat-fusarium-wilt02942nas a2200289 4500008004100000022001400041245011000055210006900165260000800234300001100242490000800253520203200261653000802293653000902301653001602310653001502326653001002341100002102351700002502372700001902397700002602416700001902442700001702461700002102478700002102499856013202520 2025 eng d a1567-576900aInterplay between genotoxic stress and STING activation in cellular senescence and inflammatory responses0 aInterplay between genotoxic stress and STING activation in cellu cOCT a1153710 v1643 a

STING pathway is activated by endogenous or exogenous DNA damage and is known to trigger cell-intrinsic innate immunity. In this study, we demonstrated that the Peharmaline analog NDS101781 is a potent genotoxic molecule to trigger cellular senescence via innate immune-responsive STING activation. We found NDS101781 consistently modulated the expression of DDR markers including gamma-H2AX, Rad51, PARP1, ATM and MRE11 in breast cancer cells with concomitant amplification in the hallmarks of senescence along with STING signaling mediators which is intricately involved in NDS101781-mediated senescence activation as evidenced by significant reduction in the senescent population in si-TMEM173-transfected cells. In vitro findings proclaimed that STING activation by NDS101781 is crucial for p21-mediated senescence augmentation, a process regulated by ATM and p53 via a pathway independent of cGAS. Although STING is activated by both canonical and non-canonical manner, our mechanistic findings indicated that ATM played a crucial role in early activation of NDS101781 driven STING signaling via p53 activation and stimulation of pTBK1, NF-kappa B, and p-IRF3, through a non-canonical cascade in cGAS-independent mechanism. The results also indicated that interference of canonical and non-canonical STING activation, responsible for NF-kappa B stimulation leading to IL-6 generation. Intriguingly, the inhibition of ATM diminished senescence hallmarks; however, suppression of ATM as well as p21 neutralization triggered apoptotic cascade and thus regulating the SASP factors. However, transient knockdown of p21 moderately instigated the apoptotic mediators underscoring that NDS101781 mediated senescence induction delayed programmed cell death under intact p21 conditions. Moreover, pharmacokinetics of NDS101781 confirmed its excellent half-life in a preclinical model and in vivo studies confirmed that NDS101781 significantly inhibited tumor growth in a syngeneic aggressive 4T1-p53 breast cancer model.

10aATM10aIL-610aPeharmaline10aSenescence10aSTING1 aDash, Anshurekha1 aKulkarni, Akshay, S.1 aIrshad, Faisal1 aMasal, Dattatraya, P.1 aManhas, Diksha1 aNandi, Utpal1 aReddy, Srinivasa1 aGoswami, Anindya uhttps://library.ncl.res.in/content/interplay-between-genotoxic-stress-and-sting-activation-cellular-senescence-and-inflammatory01310nas a2200181 4500008004100000022001400041245018100055210006900236260000800305300001400313490000700327520058500334100002400919700001900943700001900962700002600981856012101007 2025 eng d a1359-734500aInterrupted borrowing hydrogen strategy enabled aminomethylation and direct cross-dehydrogenative coupling strategy enabled dicarbonylation reactions of imidazo[1,5-a]pyridines0 aInterrupted borrowing hydrogen strategy enabled aminomethylation cFEB a3021-30240 v613 a

Herein, we disclose the development of novel aminomethylation and dicarbonylation reactions of imidazo[1,5-a]pyridines. The developed aminomethylation strategy involves a Pd-catalyzed interrupted borrowing hydrogen strategy by utilizing MeOH as the methylene source. A wide variety of imidazo[1,5-a]pyridines and secondary amines were explored for the developed strategy. The established imidazo[1,5-a]pyridine dicarbonylation strategy involves a catalyst/additive-free direct cross-dehydrogenative coupling reaction between imidazo[1,5-a]pyridines and 2-oxoaldehydes.

1 aMahajan, Shivangani1 aBag, Debojyoti1 aKour, Harpreet1 aSawant, Sanghapal, D. uhttps://library.ncl.res.in/content/interrupted-borrowing-hydrogen-strategy-enabled-aminomethylation-and-direct-cross01995nas a2200169 4500008004100000022001400041245013600055210006900191260000800260300001600268490000700284520133200291100002001623700002701643700002601670856012901696 2025 eng d a2470-134300aInvestigating the design of ssPalmO-derived lipid nanoparticles for mRNA delivery applications using molecular dynamics simulations0 aInvestigating the design of ssPalmOderived lipid nanoparticles f cDEC a61256-612670 v103 a

The rational design of lipid nanoparticles (LNPs) is essential for the effective transport of drugs and genetic material, as their structural and dynamic properties are heavily influenced by lipid composition and functional group modifications. In this study, we employed molecular dynamics simulations with density functional theory (DFT) derived force fields to investigate the bilayer properties of ssPalmO lipids, their phenyl ester (ssPalmO-phe) and benzyl ester (ssPalmO-ben) derivatives, as well as their cis and trans isomers. While all systems formed stable bilayers, cis-ssPalmO deviated by adopting a flexible, nonlamellar architecture. Trans isomers of ssPalmO-phe and ssPalmO-ben exhibited greater bilayer thickness, packing density, and order parameters due to stronger intramolecular chain interactions, while their aromatic substituents reduced lateral diffusion relative to ssPalmO. Trans isomers exhibited lower electrostatic potential differences, which increased upon incorporation of helper lipids, concomitantly enhancing bilayer packing and thickness while suppressing diffusion. These results clarify how lipid functionalization, stereochemistry, and helper lipid composition modulate bilayer organization, offering molecular level guidance for rational LNP design in drug and mRNA delivery.

1 aBarange, Anjana1 aLuwang, Meitram, Niraj1 aMeena, Santosh, Kumar uhttps://library.ncl.res.in/content/investigating-design-sspalmo-derived-lipid-nanoparticles-mrna-delivery-applications-using02455nas a2200241 4500008004100000022001400041245012100055210006900176260000800245300001400253490000700267520164400274100001901918700001801937700001701955700001601972700001701988700001902005700001702024700002002041700002102061856013102082 2025 eng d a2040-336400aInvestigating the visible range photoresponse of an organic single-crystal analogue of the green fluorescent protein0 aInvestigating the visible range photoresponse of an organic sing cAPR a8614-86230 v173 a

The growing demand for lightweight, flexible, semi-transparent and low-cost photodetectors (PDs) in wearable electronics and optical communication systems has prompted studies to investigate organic materials as feasible alternatives to conventional inorganic PDs. However, modern organic PDs often face responsivity, detectivity, and photoresponse speed limitations, particularly in the visible range. Here, we present the photoresponse of an organic single-crystal analogue of the green fluorescent protein (GFP) chromophore photodetector, fabricated on a silicon nitride substrate. A significant increase in photocurrent was detected upon illumination with visible wavelengths (532 nm, 630 nm, and halogen light). A remarkably consistent and repeatable photoresponse was obtained during the ON and OFF illumination cycles. The device showed the dependence of photocurrent on the applied bias voltages. The measured photocurrent, responsivity, detectivity, rise time, decay time, noise equivalent power and external quantum efficiency are studied for different wavelengths. Strikingly, the fabricated device demonstrates excellent performance in the visible region compared to several conventional organic and inorganic PDs. The observed responsivity and detectivity values for the device are 98 mA W-1 and 7.94 x 108 Jones, respectively. Furthermore, the device also exhibits rapid photoresponse dynamics with a rise time of 180 ms and a decay time of 152 ms. The excellent photodetection features indicate that the single crystal GFP could serve as a versatile broadband material for future applications in optoelectronics.

1 aVirole, Vishal1 aDabke, Niteen1 aVerma, Sahil1 aKumar, Ajay1 aPandya, Rinu1 aHusale, Sudhir1 aVanka, Kumar1 aGonnade, Rajesh1 aKanawade, Rajesh uhttps://library.ncl.res.in/content/investigating-visible-range-photoresponse-organic-single-crystal-analogue-green-fluorescent02236nas 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-carbon02769nas a2200325 4500008004100000022001400041245011600055210006900171260000800240300001100248490000800259520172100267653001701988653002202005653001902027653001802046653001702064653001902081100002202100700002202122700002302144700002002167700002502187700002702212700001802239700001902257700001902276700001902295856012902314 2025 eng d a0008-622300aIonic liquid driven Refined functionalization of graphene oxide: An insight via combined experiments and theory0 aIonic liquid driven Refined functionalization of graphene oxide  cAUG a1205710 v2433 a

Functionalizing graphene and its derivative, or doping them with heteroatoms can significantly enhance their optoelectronic, photonic and bio-photonic properties; but controlled and tuneable functionalization of GO is still in their infancy. Herein, a series of functionalized graphene oxide (FGO) are synthesized solvothermally by using task specific ionic liquids (ILs) of varying alkyl chain length; 1-alkyl-3-methylimidazolium tetra fluoroborate, [Cnmim]BF4 (n = 2, 4 etc.). ILs are not only used as a solvent but also as source of fluoride ion for functionalization of GO. A drastic decrease in the oxygen containing functional groups of GO upon fluorination is evidenced by FTIR, Raman, XPS, EDX analysis and electrochemical study. Solid state 19F NMR spectroscopy indicates that, fluorination happens exclusively in edge positions, not on basal planes. Band gap of FGOs decreases along with increasing the chain length of ILs. Further, intense blue emission and high photocatalytic efficiency, using crystal violet as model dye are observed for all the FGOs under visible light. The tailored functionalization by varying alkyl chain length of IL has been rationalized by DFT calculations. It has been realized that owing to the ease of dissociation for [Cnmim]BF4 complexes with n >= 10; greater extent of fluorination/functionalization of GO has been observed. Elimination of a non-covalent interaction on increasing the alkyl chain length has been attributed for lower stability of higher chain length IL which in turn renders ease of dissociation. Easy yet controlled functionalization of GO using tuneable ILs can open a new direction in the environment friendly synthesis and applications.

10afluorination10aFunctionalization10agraphene oxide10aionic liquids10aLuminescence10aPhotocatalysis1 aKewat, Heera, Lal1 aDutta, Debangkana1 aAjithkumar, T., G.1 aChavda, Dhruvil1 aSharma, Rahul, Kumar1 aTiwari, Mrityunjay, K.1 aSidiqi, Ubaid1 aManna, Moutusi1 aNigam, Sandeep1 aGhosh, Pushpal uhttps://library.ncl.res.in/content/ionic-liquid-driven-refined-functionalization-graphene-oxide-insight-combined-experiments01267nas a2200181 4500008004100000022001400041245013200055210006900187260000800256300001600264490000700280520060300287100001700890700002200907700001700929700001500946856012400961 2025 eng d a0022-326300aIpso-cyclization via a dienone-phenol rearrangement of alkynyloxy cyclohexadienones for the synthesis of oxaspiro[4.5]trienones0 aIpsocyclization via a dienonephenol rearrangement of alkynyloxy  cSEP a13399-134060 v903 a

Herein, we present a convenient method to access oxaspiro[4.5]trienone compounds from alkynyloxy cyclohexadienones. The reactions are catalyzed by Lewis/Bronsted acids, yielding the desired products in moderate to good yields under very mild reaction conditions. The process, which involves a dienone-phenol rearrangement, is characterized by its simplicity and the absence of any additional activators. The synthesis of the oxaspiro[4.5]trienone compounds is amenable to gram-scale reactions along with subsequent product transformations, making this approach practical and attractive.

1 aRai, Archana1 aKundu, Ananya, I.1 aShukla, Ekta1 aDas, Utpal uhttps://library.ncl.res.in/content/ipso-cyclization-dienone-phenol-rearrangement-alkynyloxy-cyclohexadienones-synthesis01309nas a2200253 4500008004100000022001400041245010400055210006900159260000800228300001500236490000700251520048200258653000600740653002500746653001500771653002000786653001900806653001700825653001800842100002100860700002100881700002200902856013100924 2025 eng d a2365-654900aIron mediated oxidative ring opening-homocoupling of cyclopropanols: facile access to 1,6-diketones0 aIron mediated oxidative ring openinghomocoupling of cyclopropano cMAY ae2025017450 v103 a

We have developed a new approach for the synthesis of 1,6-diketones via iron-catalyzed ring opening of cyclopropanol with a nontoxic, inexpensive iron catalyst under open-air conditions. This method eliminates the need for additives and employs tert-butanol as an eco-friendly solvent. This methodology allows rapid access to a variety of symmetrical 1,6-diketones under mild conditions. Preliminary mechanistic studies revealed the involvement of radical pathways.

10a110a6-Diketone synthesis10aC & horbar10aC bond cleavage10acyclopropanols10aHomocoupling10aIron mediated1 aShinde, Ravi, A.1 aShirsath, Sachin1 aMuthukrishnan, M. uhttps://library.ncl.res.in/content/iron-mediated-oxidative-ring-opening-homocoupling-cyclopropanols-facile-access-16-diketones01792nas a2200241 4500008004100000022001400041245009600055210006900151260000800220490000700228520099400235653001901229653002601248653001901274653001701293653001401310100001901324700002401343700002101367700001701388700002401405856012101429 2025 eng d a2193-580700aIron-catalyzed chemoselective reduction of enimines to N-Allylic amines via hydrosilylation0 aIroncatalyzed chemoselective reduction of enimines to NAllylic a cMAY0 v143 a

Chemoselective hydrosilylation of unsaturated imines is challenging as the two double bonds compete for the reaction. Here in, we report an iron-catalyzed chemoselective hydrosilylation of enimines leading to the generation of allyl amines in the presence of phosphine ligand. A low-valent Fe(0) complex [(BDA)Fe(CO)3] catalyzed the hydrosilylation of enimine at room temperature and exhibited broad substrate scope including a variety of enimine (cinnamylimine, allylimine) and ketimine. Mechanistic investigations revealed that the reaction proceeds through an oxidative addition of the silane compound, leading to the formation of an iron hydride intermediate. Subsequently, a two-electron pathway facilitates the hydrosilylation of the enimine substrate. This has been supported by preparing a well-defined Fe(II)-silane complex and using it as a catalyst control. Based on experimental and computational investigations, a plausible Chalk-Harrod-type mechanism is proposed.

10aCinnamyl amine10aImine hydrosilylation10airon catalysis10aIron hydride10aPhosphine1 aTewari, Tanuja1 aShaikh, Maulali, H.1 aSharma, Himanshu1 aVanka, Kumar1 aChikkali, Samir, H. uhttps://library.ncl.res.in/content/iron-catalyzed-chemoselective-reduction-enimines-n-allylic-amines-hydrosilylation01827nas a2200169 4500008004100000022001400041245019000055210006900245260000800314300001400322490000700336520112100343100002101464700002101485700002201506856012901528 2025 eng d a0021-956800aIsobaric vapor-liquid-equilibrium data measurement of toluene with ethyl acetate, n-Propyl Acetate, Iso-propyl Acetate, Iso-butyl Acetate, and Iso-amyl Acetate: experiments and modeling0 aIsobaric vaporliquidequilibrium data measurement of toluene with cMAR a1652-16630 v703 a

The isobaric vapor-liquid equilibrium (VLE) data of the systems (ethyl acetate + toluene), (n-propyl acetate + toluene), (iso-propyl acetate + toluene), (toluene + iso-butyl acetate), and (toluene + iso-amyl acetate) were measured under the isobaric condition at 92 kPa using a glass dynamic recirculation apparatus. The experimental VLE data was correlated by NRTL, Wilson, and UNIQUAC activity coefficient models to account for the nonideality. The binary interaction parameters of the models were obtained by regressing the experimental data using the maximum likelihood objective function. The thermodynamic consistency of the experimental data was checked by using the Van Ness test and the infinite dilution test. Extrapolating the activity coefficient at infinite dilution was done by regressing the experimental data with an extended Redlich-Kister equation. The NRTL, Wilson, and UNIQUAC models exhibited a maximum root-mean-square deviation less than unity for temperature and vapor mole fraction. Additionally, it is worth noting that no azeotrope was identified in the VLE data in this study.

1 aSutar, Dipak, S.1 aMali, Nilesh, A.1 aGhuge, Pravin, D. uhttps://library.ncl.res.in/content/isobaric-vapor-liquid-equilibrium-data-measurement-toluene-ethyl-acetate-n-propyl-acetate03032nas a2200337 4500008004100000245018300041210006900224260000800293300001200301490000700313520189600320653002202216653001702238653001402255653002002269653002202289653002302311100001902334700002002353700001702373700001702390700001902407700002402426700001702450700001802467700002602485700001702511700001802528700001602546856013202562 2025 eng d00aIsobavachalcone ameliorates Alzheimer disease pathology by autophagy-mediated clearance of amyloid beta and inhibition of NLRP3 inflammasome in primary astrocytes and 5x-FAD mice0 aIsobavachalcone ameliorates Alzheimer disease pathology by autop cMAR a15253640 v163 a

Background and Aim Alzheimer's disease (AD) progresses with A beta plaque deposition and neuroinflammation. Given the complexity of AD pathology, single-target therapies have frequently failed in clinical trials. We hypothesized that a multitarget approach could yield better therapeutic outcomes. To this end, we identified isobavachalcone (IBC), a natural compound with dual pharmacological activity in reducing A beta plaques and neuroinflammation.Experimental Procedure Primary astrocytes were isolated from 3 to 4 days old C57BL/6J mice pups for in-vitro assays, while in-vivo studies were conducted on 5x-FAD mice. Protein alterations were evaluated using ELISA, western blotting, immunocytochemistry, and immunohistochemistry. Behavioral analyses included the radial arm maze, open field, and rotarod tests. Data from all in vitro and in vivo experiments were analyzed by using one-way ANOVA and post-hoc Bonferroni tests.Results In-vitro analyses in astrocytes demonstrated that IBC at 5 and 10 mu M concentrations induce AMPK phosphorylation through CAMKK2, promoting autophagy and inhibiting the NLRP3 inflammasome in primary astrocytes. IBC-treated astrocytes exhibited significant clearance of extracellular amyloid beta. Mechanistic studies highlighted autophagy as a key factor in reducing both NLRP3 inflammasome activity and A beta levels. Two months of treatment of 5x-FAD mice with IBC at 25 and 50 mg/kg significantly improved cognitive functions, as evidenced by enhanced memory and motor performance in behavioral tests. Subsequent brain tissue analysis revealed that IBC upregulated autophagic proteins to reduce the brain's amyloid beta levels, resulting in decreased expression of neuroinflammation markers.Conclusion IBC effectively ameliorates AD pathology through autophagy-mediated clearance of A beta and suppressing neuroinflammation in 5x-FAD mice.

10aAlzheimer disease10aAmyloid beta10aAutophagy10aisobavachalcone10aneuroinflammation10aNLRP3 inflammasome1 aKour, Dilpreet1 aKhajuria, Parul1 aSharma, Kuhu1 aSharma, Alpa1 aSharma, Ankita1 aAli, Syed, Mudassir1 aWazir, Priya1 aRamajayan, P.1 aSawant, Sanghapal, D.1 aNandi, Utpal1 aAhmed, Zabeer1 aKumar, Ajay uhttps://library.ncl.res.in/content/isobavachalcone-ameliorates-alzheimer-disease-pathology-autophagy-mediated-clearance-amyloid02953nas a2200169 4500008004100000022001400041245011400055210006900169260000900238300001200247490000800259520231900267100001902586700002802605700002002633856013002653 2026 eng d a0006-349500aIncreased cholesterol interactions in the active conformational state of the glucagon-like peptide-1 receptor0 aIncreased cholesterol interactions in the active conformational  cJAN  a546-5560 v1253 a

The glucagon-like peptide-1 receptor (GLP-1R) is a class B G-protein-coupled receptor that plays an important role in metabolic regulation and consequently is a target for type 2 diabetes and obesity therapeutics. Although cholesterol has been reported to be implicated in receptor activation, its interactions with the receptor during the activation cycle have not been probed. Using coarse-grained molecular dynamics simulations, we have characterized the cholesterol interactions with GLP-1R in four conformational states: the inactive, partially active, GLP-1-bound active, and exenatide-bound active conformational states. We observed that the cholesterol hotspots vary between the receptor states with an increased enrichment of cholesterol around the receptor in the active conformational states. Importantly, more favorable interaction energetics and increased residence times of cholesterol were identified in the active conformational state of the receptor, although lower in magnitude than previously reported. Notably, subtle differences could be distinguished between the GLP-1-bound and exenatide-bound receptor, underlining the ligand-specific effects. Our findings emphasize the increased selectivity of cholesterol toward the active state of GLP-1R and highlight the role of conformational dynamics in receptor-lipid interplay. Our work helps to understand how cholesterol modulates GLP-1R, with potential effects on its role as a regulator in lipid metabolism, thereby opening avenues to leverage these lipid interactions in targeted drug therapy. SIGNIFICANCE This study provides an understanding of how cholesterol directly influences the function of GLP-1R, a key therapeutic target for metabolic diseases including type 2 diabetes and obesity. Using coarse-grained molecular dynamics simulations, we show that cholesterol binding, favorable interactions, and residence times increase when GLP-1R is in its active states. These interactions vary subtly depending on the activating ligand, highlighting ligand-specific effects. Our findings highlight the critical role of conformational dynamics in receptor-lipid interplay and suggest that understanding these cholesterol-GLP-1R interactions could pave the way for novel strategies in targeted drug therapy for metabolic disorders.

1 aNaglekar, Amit1 aChattopadhyay, Amitabha1 aSengupta, Durba uhttps://library.ncl.res.in/content/increased-cholesterol-interactions-active-conformational-state-glucagon-peptide-1-receptor02091nas a2200265 4500008004100000022001400041245012200055210006900177260000800246490000800254520116300262653001501425653002101440653003701461653002401498100002701522700001901549700001701568700001901585700002601604700002401630700002501654700002301679856012301702 2026 eng d a0021-899500aInsight Into the Influence of Salinity on Flow and Flocculation Behavior of Acrylamide-Based Cationic Polyelectrolyte0 aInsight Into the Influence of Salinity on Flow and Flocculation  cMAR0 v1433 a

The viscometric behavior of aqueous solutions of acrylamide and acrylamidopropyl trimethylammonium chloride copolymers (AM-co-APTMAC) with varying cationic content under different salinity conditions was studied. Viscometric measurements were employed to determine intrinsic viscosity and quantify the influence of electrostatic interactions on chain conformation. Rheology experiments were performed to probe dynamic flow behavior under shear to obtain insights into polyelectrolyte viscoelastic properties under conditions mimicking industrial processes. Viscometric and rheology data analysis is augmented with insights from NMR relaxation and pulsed field gradient NMR diffusion experiments. Further, flocculation of kaolin suspensions was studied using aqueous solutions of AM-co-APTMAC copolymers with different charge fractions in the presence and absence of salt. The physicochemical insights on the behavior of AM-co-APTMAC polyelectrolytes in solution from this study could be relevant in practical applications, such as plants that use seawater or in cases where the ionic strength of suspensions is high due to salinity in the medium.

10acopolymers10apolyelectrolytes10astructure property relationships10atheory and modeling1 aRanganath, Suresha, P.1 aKurian, Rachna1 aTorris, Arun1 aKhairnar, Ajay1 aRavindranathan, Sapna1 aRajamohanan, P., R.1 aBadiger, Manohar, V.1 aWolf, Bernhard, A. uhttps://library.ncl.res.in/content/insight-influence-salinity-flow-and-flocculation-behavior-acrylamide-based-cationic01962nas 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-luminal