01274nas a2200193 4500008004100000022001400041245007700055210006900132260011000201300001400311520052900325100002400854700001600878700002100894700002000915700002200935700001700957856010600974 2005 eng d a1359-734500aWet-chemical templateless assembly of metal nanowires from nanoparticles0 aWetchemical templateless assembly of metal nanowires from nanopa aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcJAN a1435-14373 a

We describe a new, simple, room-temperature wet-chemical approach for assembling Au and Ag nanoparticles into nanowire networks, without the use of lithographic templates. Five to 35 nm-diameter nanowires passivated with a thin organic layer were synthesized by mechanically agitating a biphasic liquid mixture of an aqueous hydrosol containing the nanoparticles, and toluene. Nanowire structure and surface chemistry are discussed based on electron microscopy, UV-visible spectroscopy and thermogravimetric analyses.

1 aMaddanimath, Trupti1 aKumar, Anil1 aD'Arcy-Galla, J.1 aGanesan, P., G.1 aVijayamohanan, K.1 aRamanath, G. uhttps://library.ncl.res.in/content/wet-chemical-templateless-assembly-metal-nanowires-nanoparticles-000508nas a2200157 4500008004100000022001400041245003000055210003000085260010000115300000900215490000700224100001700231700001700248700002100265856006400286 2005 eng d a0895-630800aWho patented what in 20040 aWho patented what in 2004 a2200 CLARENDON BLVD, STE 1102, ARLINGTON, VA 22201 USAbINDUSTRIAL RESEARCH INSTITUTE, INCcMAY a7-110 v481 aBowonder, B.1 aKrishnan, S.1 aMastakar, N., V. uhttps://library.ncl.res.in/content/who-patented-what-2004-000965nas a2200229 4500008004100000022001400041245005800055210005700113260008600170300001400256490000700270520022900277653002000506653001600526653002200542653001400564653002700578100001500605700001800620700001300638856008400651 2005 eng d a0039-791100aWittig-horner approach for the synthesis of tamoxifen0 aWittighorner approach for the synthesis of tamoxifen a325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USAbTAYLOR & FRANCIS INCcMAY a2795-28000 v353 a

A stereoselective synthesis of Z -tamoxifen, a tetra-substituted alkene with antiestrogenic activity, is described. The Wittig-Horner reaction has been employed as the key step to establish the olefin stereochemistry.

10aanticancer drug10aphosphonate10astereoselectivity10aTamoxifen10aWittig-Horner reaction1 aPandey, RK1 aWakharkar, RD1 aKumar, P uhttps://library.ncl.res.in/content/wittig-horner-approach-synthesis-tamoxifen-001758nas a2200181 4500008004100000022001400041245011200055210006900167260007100236300001400307490000700321520103800328100002001366700001701386700002701403700002001430856012601450 2006 eng d a0024-929700aWell-defined poly(4-vinylbenzocyclobutene): synthesis by living anionic polymerization and characterization0 aWelldefined poly4vinylbenzocyclobutene synthesis by living anion a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcMAY a3525-35300 v393 a

Living anionic polymerization of 4-vinylbenzocylobutene was performed in benzene at room temperature using sec-butyllithium as the initiator. Results of the kinetic studies indicated the termination- and transfer-free nature of the polymerization. Homopolymers with predictable molecular weights and narrow molecular weight distributions were produced, excluding the interference of the cyclobutene rings during initiation and propagation. Thermogravimetric analysis of poly( 4-vinylbenzocyclobutene) in air showed a small weight gain at similar to 200 degrees C, a rapid decomposition at similar to 455 degrees C, and a gradual decomposition at similar to 566 degrees C. This behavior was attributed to the formation of radicals from the pendent benzocyclobutene functionality through o-quinodimethane intermediates and simultaneous decomposition/ cross-linking reactions at high temperature. The living nature of the polymerization was also examined via sequential copolymerization with butadiene to form diblock copolymers.

1 aSakellariou, G.1 aBaskaran, D.1 aHadjichristidis, Nikos1 aMays, Jimmy, W. uhttps://library.ncl.res.in/content/well-defined-poly4-vinylbenzocyclobutene-synthesis-living-anionic-polymerization-and-001733nas a2200181 4500008004100000022001400041245004300055210004200098260007700140300001200217490000700229520113700236100002501373700002401398700002501422700002601447856007801473 2007 eng d a1022-133600aWater-triggered frontal polymerization0 aWatertriggered frontal polymerization aPO BOX 10 11 61, D-69451 WEINHEIM, GERMANYbWILEY-V C H VERLAG GMBHcJAN a109-1150 v283 a

A totally new mode of frontal polymerization (FP) of acrylamide is established which is triggered by the simple addition of a minute, specific volume of water. Experimental conditions under which this mode of polymerization yields linear and water-soluble polyacrylamide were carefully established, paving the way to synthesize commercially pertinent homo- and copolymers. A new redox couple was identified to circumvent the imidization and the ensuing gelation, hitherto associated with FP of acrylamide. Effects of reaction variables such as type and concentration of redox couple and volume of water on measurable parameters of FP such as front velocity, front temperature, shape of front and yield have been studied. Two types of redox couples are reported. Nonplanar frontal regime was observed in few redox couples. We could visually observe helical patterns with naked eyes, while layered patterns were observable under SEM. Additionally, micro-phase separation and heterogeneity in the polymer matrix was observed due to unreacted pockets of monomer which evolve via bulk mode. This nonlinear phenomenon is described.

1 aPujari, Narahari, S.1 aInamdar, Satish, R.1 aPonrathnam, Surendra1 aKulkarni, Bhaskar, D. uhttps://library.ncl.res.in/content/water-triggered-frontal-polymerization01254nas a2200205 4500008004100000022001400041245015000055210006900205260007600274300001400350520043300364653001100797653001800808653001200826653001400838653001300852100003200865700002200897856012900919 2008 eng d a1434-193X00aWO3/70% TBHP/aqueous NaOH: an efficient catalytic combination for the selective oxidation of methylarenes and alkyl aryl ketones to benzoic acids0 aWO370 TBHPaqueous NaOH an efficient catalytic combination for th aCOMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USAbWILEY-BLACKWELLcOCT a4877-48803 a

A new solvent-free, reusable catalytic combination consisting Of WO3/70% TBHP/aqueous NaOH has been described for the direct oxidation of methylarenes and acetophenones to the corresponding benzoic acids in high yields. Alkylarenes are oxidized to the corresponding aromatic ketones or benzylic alcohols depending upon whether NaOH is used or not. ((C) Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2008)

10aArenes10aBenzoic acids10aKetones10aOxidation10aTungsten1 aShaikh, Tanveer, Mahammad A1 aSudalai, Arumugam uhttps://library.ncl.res.in/content/wo370-tbhpaqueous-naoh-efficient-catalytic-combination-selective-oxidation-methylarenes-001629nas a2200157 4500008004100000022001400041245010600055210006900161260007900230300001100309490000800320520097200328100002701300700001801327856012601345 2009 eng d a2169-897X00aWind tunnel investigation of the distortion of polluted water drops in the horizontal electric fields0 aWind tunnel investigation of the distortion of polluted water dr a2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USAbAMER GEOPHYSICAL UNIONcMAY aD102050 v1143 a

Distortion of the water drops freely suspended in a vertical wind tunnel is investigated when these drops are polluted with sulphate/nitrate salt and are also subjected to the horizontal electric fields. Results show that although the drops' average shape is not significantly affected, the magnitudes of drop oscillations decrease when these are formed from the water polluted with sulphate/nitrate salt. However, when these polluted drops are placed in a horizontal electric field, their oblateness increases with respect to that of the distilled water drops, and this increase in oblateness is more in higher electric fields. Results can possibly be explained because of the increase in surface tension, viscosity and density, and a more dominant effect due to the increase in electrical conductivity of the polluted water. Significance of the results is discussed in view of the possible modification of lightning activity in clouds formed over big cities.

1 aBhalwankar, Rohini, V.1 aKamra, A., K. uhttps://library.ncl.res.in/content/wind-tunnel-investigation-distortion-polluted-water-drops-horizontal-electric-fields-002302nas a2200265 4500008004100000022001400041245007900055210006900134260007300203300001000276490000800286520133100294653002501625653003001650653003701680653003501717653003201752100002301784700002001807700002401827700002101851700002301872700002801895856011301923 2009 eng d a0378-111900aWinged bean chymotrypsin inhibitors retard growth of Helicoverpla anmigera0 aWinged bean chymotrypsin inhibitors retard growth of Helicoverpl aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcFEB a80-850 v4313 a

Two putative Kunitz-type chymotrypsin inhibitor genes (WC12 and WC15) were isolated from winged bean (Psophocarpus tetragonolobus (L.) DC). While WC12 has previously been characterized, WC15 represents a new member of the WC1 family. WC15 was exclusively expressed in winged bean seeds. Theoretical translation of both the genes resulted into polypeptides of 207 amino acids with 86% sequence similarity. The polypeptide sequences contain four half-cysteine residues and a well-conserved Leu(65)-Ser(66) reactive site, typical for chymotrypsin inhibitors. WC15 and WC12 were expressed in Pichia pastoris and the recombinant proteins were assayed against various proteinases. Both the inhibitors strongly inhibited commercially available bovine chymotrypsin. More importantly, gut proteinases of Helicoverpa armigera larvae that damage many important crop plants, were inhibited by WC12 and WC15. In addition, both proteinase inhibitors demonstrated significant reduction of growth of H. armigera larvae after feeding on inhibitor incorporated artificial diets. The inhibitory effects of WC12 and WC15 on activity of proteinases and larval growth make these proteins and their genes promising candidates for enhancing plant defense against H. armigera using transgenic plants. (C) 2008 Elsevier B.V. All rights reserved.

10aAntimetabolic effect10aDigestive gut proteinases10aKunitz-type proteinase inhibitor10aOrgan-specific mRNA expression10aPsophocarpus tetragonolobus1 aTelang, Manasi, A.1 aGiri, Ashok, P.1 aPyati, Prashant, S.1 aGupta, Vidya, S.1 aTegeder, Mechthild1 aFranceschi, Vincent, R. uhttps://library.ncl.res.in/content/winged-bean-chymotrypsin-inhibitors-retard-growth-helicoverpla-anmigera-001231nas a2200157 4500008004100000022001400041245013700055210006900192260007100261300001400332490000700346520055000353100002200903700002400925856012400949 2010 eng d a1523-706000aWater-induced switching of beta-structure to polyproline II conformation in the 4s-aminoproline polypeptide via H-bond rearrangement0 aWaterinduced switching of betastructure to polyproline II confor a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcDEC a5390-53930 v123 a

4S-Aminoproline polypeptide 2 forms unusual beta-structure in trifluoroethanol that switches to the polyproline II (PPII) form in aqueous medium. while 4R-aminoproline peptide 1 retains PPII form in both solvents. This first instance of a polyproline derivative showing a beta-structure is attributed to competitive pH-dependent (4-NH3+/NH2) stereoelectronic effect (4R vs 4S) and the overriding importance of stercospecific intra/intermolecular H-bonding in (2,4)-cis-4S-aminoproline in contrast to (2,4)-trans-4R-aminoproline oligomers.

1 aSonar, Mahesh, V.1 aGanesh, Krishna, N. uhttps://library.ncl.res.in/content/water-induced-switching-beta-structure-polyproline-ii-conformation-4s-aminoproline-001771nas a2200169 4500008004100000245008700041210006900128260000800197490000600205520117200211100002401383700002101407700001901428700001901447700002101466856011401487 2011 eng d00aWhat drives the redox properties of model green fluorescence protein chromophores?0 aWhat drives the redox properties of model green fluorescence pro cSEP0 v23 aWe report the first experimental determination of the oxidation potentials E-ox(0). (relative to the standard hydrogen electrode, SHE) of model green fluorescent protein (GFP) chromophores. Para-, meta, and ortho-hydroxy (4-hydroxybenzylidene-2,3-dimethylimidazolinone, HBDI) and methoxy (MeOBDI) derivatives were studied. E-ox(0) of the three isomers in acetonitrile are -1.31, -1.52, and -1.39 V, respectively. Electronic structure calculations reproduce the observed differences between the isomers and reveal that E-ox(0) follows the ionization energies (IEs), that is, p-MeOBDI has the lowest IE (6.96 eV in the gas phase) due to resonance stabilization of its cation, whereas the resonance is detuned in m-MeOBDL resulting in more-negative E-ox(0). The observed meta and ortho effects in E-ox(0) are similar to the trends in pK(a). The effect of increased solvent polarity on absolute.E-ox(0) (and especially on para-meta-ortho differences) was found to be small. The redox properties of GFP chromophores are driven by their structure and can be correlated with IEs, which can be exploited in predicting the properties of other fluorescent protein chromophores.1 aSolntsev, Kyril, M.1 aGhosh, Debashree1 aAmador, Adrian1 aJosowicz, Mira1 aKrylov, Anna, I. uhttps://library.ncl.res.in/content/what-drives-redox-properties-model-green-fluorescence-protein-chromophores01057nas a2200169 4500008004100000022001400041245009800055210006900153260011000222300001400332490000700346520035600353100001800709700001800727700001600745856012600761 2012 eng d a1477-052000aWater and a protic ionic liquid acted as refolding additives for chemically denatured enzymes0 aWater and a protic ionic liquid acted as refolding additives for aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcJUN a7475-74780 v103 a

In this communication, we present the ability of water and a protic ionic liquid, triethyl ammonium phosphate (TEAP) to act as refolding additives for the urea-induced chemical denaturated state of the two enzymes, alpha-chymotrypsin and succinylated Con A. We show that the enzymatic activity is regained and in certain circumstances enhanced.

1 aAttri, Pankaj1 aVenkatesu, P.1 aKumar, Anil uhttps://library.ncl.res.in/content/water-and-protic-ionic-liquid-acted-refolding-additives-chemically-denatured-enzymes-001117nas a2200157 4500008004100000022001400041245020400055210006900259260011000328300001400438490000700452520032300459100002300782700002400805856013000829 2013 eng d a1466-803300aWeak becomes strong: remarkable strength of C-H center dot center dot center dot pi hydrogen bond in the presence of O-H center dot center dot center dot O hydrogen bonds in the crystal stabilization0 aWeak becomes strong remarkable strength of CH center dot center  aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcJAN a1676-16790 v153 a

We report crystallographic evidence for the significance of C-H center dot center dot center dot pi hydrogen bonds in the crystal stabilization of 1,4-di-O-benzoyl-myo-inositol. The strength of this otherwise weak hydrogen bond matches with the strength of O-H center dot center dot center dot O hydrogen bonds.

1 aSureshan, Kana, M.1 aGonnade, Rajesh, G. uhttps://library.ncl.res.in/content/weak-becomes-strong-remarkable-strength-c-h-center-dot-center-dot-center-dot-pi-hydrogen-001724nas a2200157 4500008004100000022001400041245007900055210006900134260007100203300001400274490000800288520112200296100001701418700001601435856011501451 2013 eng d a1089-563900aWhy does water accelerate organic reactions under heterogeneous condition?0 aWhy does water accelerate organic reactions under heterogeneous  a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcMAR a2446-24540 v1173 a

An exhaustive kinetic analysis has been carried out to offer the convincing evidence of the involvement of the oil water interface in guiding ``on water organic reaction'' mechanism. We have tuned the interface to prove its indispensable efficacy to make on water reaction a unique type among water mediated organic reactions. Sensitive techniques have established the preferential salvation of polarizable ions at the water surface. The experimental methods have been developed to control the molecular structure of oil water interface in situ. Temperature-dependent analyses have also been presented to understand the enthalpic and entropic modifications of the interfacial water molecules during a heterogeneous reaction. Both of our kinetic and thermodynamic outcomes have univocally established that the hydrogen-bonding ability of the surface water molecules plays a critical role in deciding the on water organic reaction mechanism. The results have important implications on understanding the role of small water molecules adjacent to the reactants during the reactions discussed in this investigation.

1 aManna, Arpan1 aKumar, Anil uhttps://library.ncl.res.in/content/why-does-water-accelerate-organic-reactions-under-heterogeneous-condition-002231nas a2200241 4500008004100000022001400041245013600055210006900191260000800260300001200268490000600280520141600286653001101702653001701713653001301730653002201743653001701765100002201782700002201804700001901826700002501845856011901870 2014 eng d a1864-563100aWater electrolysis with a conducting carbon cloth: subthreshold hydrogen generation and superthreshold carbon quantum dot formation0 aWater electrolysis with a conducting carbon cloth subthreshold h cMAR a883-8890 v73 a

A conducting carbon cloth, which has an interesting turbostratic microstructure and functional groups that are distinctly different from other ordered forms of carbon, such as graphite, graphene, and carbon nanotubes, was synthesized by a simple one-step pyrolysis of cellulose fabric. This turbostratic disorder and surface chemical functionalities had interesting consequences for water splitting and hydrogen generation when such a cloth was used as an electrode in the alkaline electrolysis process. Importantly, this work also gives a new twist to carbon-assisted electrolysis. During electrolysis, the active sites in the carbon cloth allow slow oxidation of its surface to transform the surface groups from COH to COOH and so forth at a voltage as low as 0.2V in a two-electrode system, along with platinum as the cathode, instead of 1.23V (plus overpotential), which is required for platinum, steel, or even graphite anodes. The quantity of subthreshold hydrogen evolved was 24mLcm(-2)h(-1) at 1V. Interestingly, at a superthreshold potential (>1.23V+overpotential), another remarkable phenomenon was found. At such voltages, along with the high rate and quantity of hydrogen evolution, rapid exfoliation of the tiny nanoscale (5-7nm) units of carbon quantum dots (CQDs) are found in copious amounts due to an enhanced oxidation rate. These CQDs show bright-blue fluorescence under UV light.

10aCarbon10aelectrolysis10aHydrogen10aphotoluminescence10aquantum dots1 aBiswal, Mandakini1 aDeshpande, Aparna1 aKelkar, Sarika1 aOgale, Satishchandra uhttps://library.ncl.res.in/content/water-electrolysis-conducting-carbon-cloth-subthreshold-hydrogen-generation-and02128nas a2200289 4500008004100000022001400041245013100055210006900186260007100255300001600326490000700342520109100349653001701440653002501457653002601482653002301508100002201531700001701553700001501570700002201585700001701607700002301624700002201647700002101669700002001690856012801710 2014 eng d a0021-856100aWay toward ``dietary pesticides'': molecular investigation of insecticidal action of caffeic acid against helicoverpa armigera0 aWay toward dietary pesticides molecular investigation of insecti a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcNOV a10847-108540 v623 a

Bioprospecting of natural molecules is essential to overcome serious environmental issues and pesticide resistance in insects. Here we are reporting insights into insecticidal activity of a plant natural phenol. In silico and in vitro screening of multiple molecules supported by in vivo validations suggested that caffeic acid (CA) is a potent inhibitor of Helicoverpa armigera gut proteases. Protease activity and gene expression were altered in CA-fed larvae. The structure-activity relationship of CA highlighted that all the functional groups are crucial for inhibition of protease activity. Biophysical studies and molecular dynamic simulations revealed that sequential binding of multiple CA molecules induces conformational changes in the protease(s) and thus lead to a significant decline in their activity. CA treatment significantly inhibits the insect's detoxification enzymes, thus intensifying the insecticidal effect. Our findings suggest that CA can be implicated as a potent insecticidal molecule and explored for the development of effective dietary pesticides.

10aCaffeic acid10aHelicoverpa armigera10ainsecticidal activity10aprotease inhibitor1 aJoshi, Rakesh, S.1 aWagh, T., P.1 aSharma, N.1 aMulani, Fayaj, A.1 aSonavane, U.1 aThulasiram, H., V.1 aJoshi, Rakesh, S.1 aGupta, Vidya, S.1 aGiri, Ashok, P. uhttps://library.ncl.res.in/content/way-toward-dietary-pesticides-molecular-investigation-insecticidal-action-caffeic-acid-001256nas a2200169 4500008004100000022001400041245011200055210006900167260011000236300001600346490000700362520052200369100002500891700001800916700002100934856013100955 2014 eng d a1359-734500aWhen gold meets chiral bronsted acid catalysts: extending the boundaries of enantioselective gold catalysis0 aWhen gold meets chiral bronsted acid catalysts extending the bou aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcAUG a15124-151350 v503 a

This review describes the development in the use of Au(I)/Bronsted acid binary catalytic systems to enable an enantioselective transformation in one-pot that cannot be achieved by gold catalysts alone. The examples discussed herein are promising since apart from using chiral ligands there exists a possibility of using chiral Bronsted acids. Clearly, the horizon for enantioselective gold catalysis has been expanded as more options to make the gold-catalyzed reactions enantioselective have become available.

1 aInamdar, Suleman, M.1 aKonala, Ashok1 aPatil, Nitin, T. uhttps://library.ncl.res.in/content/when-gold-meets-chiral-bronsted-acid-catalysts-extending-boundaries-enantioselective-gold-000576nas a2200145 4500008004100000245009900041210006900140260000800209300001200217490000600229100001500235700002800250700002500278856012700303 2015 eng d00aWater-dispersible ascorbic-acid-coated magnetite nanoparticles for contrast enhancement in MRI0 aWaterdispersible ascorbicacidcoated magnetite nanoparticles for  cJAN a435-4410 v51 aSreeja, V.1 aJayaprabha, Kunnoth, N.1 aJoy, Pattayil, Alias uhttps://library.ncl.res.in/content/water-dispersible-ascorbic-acid-coated-magnetite-nanoparticles-contrast-enhancement-mri01454nas a2200265 4500008004100000022001400041245006900055210006700124260006700191300001200258490000700270520059600277653002300873653002500896653000900921653001800930653001500948653002900963653001400992100002101006700001701027700002501044700001601069856010301085 2015 eng d a0894-323000aWater-promoted diels-alder reaction in quaternary ammonium salts0 aWaterpromoted dielsalder reaction in quaternary ammonium salts a111 RIVER ST, HOBOKEN 07030-5774, NJ USAbWILEY-BLACKWELLcNOV a665-6730 v283 a

{Prevailing classification of salts based on their effect in solubility and stability of proteins in aqueous solution predicts that tetraalkylammonium salts, guanidinium chloride (GnCl), LiClO4 act as salting-in (S/I) and LiCl, NaCl act as salting-out (S/O) in aqueous conditions. In the same context the behaviour of GnCl, LiClO4 and LiCl are contradictory in polar solvents like ethylene glycol and formamide. In these solvents, expected salt effect shows just opposite nature from their usual expectation. However, in the aqueous solution salts like tetraalkylammonium halide (R4NX

10aDelta G(solvation)10aDiels-Alder reaction10ak(s)10akinetic study10asolubility10atetraalkylammonium salts10aviscosity1 aNagare, Amit, S.1 aManna, Arpan1 aSonawane, Pramod, D.1 aKumar, Anil uhttps://library.ncl.res.in/content/water-promoted-diels-alder-reaction-quaternary-ammonium-salts-000940nas a2200181 4500008004100000245008000041210006900121260000800190300001600198490000700214520030700221100003000528700002400558700002400582700002000606700002500626856010700651 2015 eng d00aWell-defined palladium(II) complexes for ligand enabled C(sp3)-alkynylation0 aWelldefined palladiumII complexes for ligand enabled Csp3alkynyl cJUL a15382-153860 v443 a

The first example of ligand-enabled C(sp3)-alkynylation of 8-methylquinoline is reported. The reaction is catalysed by well-defined Pd(II) complexes. The present C(sp3)-alkynylation has a broad substrate scope as well as functional group tolerance and proceeds efficiently under mild conditions.

1 aLandge, Vinod, Gokulkrish1 aSahoo, Manoj, Kumar1 aMidya, Siba, Prasad1 aJaiswal, Garima1 aBalaraman, Ekambaram uhttps://library.ncl.res.in/content/well-defined-palladiumii-complexes-ligand-enabled-csp3-alkynylation00624nas a2200133 4500008004100000022001400041245009100055210006900146260010200215300001400317490000800331100003200339856011900371 2015 eng d a0011-389100aWhat will it take for Indian science, technology and innovation to make global impact?0 aWhat will it take for Indian science technology and innovation t aC V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIAbINDIAN ACAD SCIENCEScSEP a1021-10240 v1091 aMashelkar, Raghunath, Anant uhttps://library.ncl.res.in/content/what-will-it-take-indian-science-technology-and-innovation-make-global-impact-001423nas a2200181 4500008004100000022001400041245010600055210006900161260007100230300001400301490000700315520069000322100001901012700002201031700002901053700003701082856012201119 2015 eng d a0022-326300aWhole-cell mediated 11 beta-hydroxylation on the basic limonoid skeleton by cunninghamella echinulata0 aWholecell mediated 11 betahydroxylation on the basic limonoid sk a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcJUN a6490-64950 v803 a

Regio- and stereoselective 11 beta-hydroxylation was achieved on the basic limonoid skeleton through microbial transformation. Whole cells of Cunninghamella echinulata efficiently converted basic limonoids such as epoxyazadiradione, azadiradione, and gedunin to their 11 beta-hydroxy analogues as the sole metabolite. Fermentation conditions affecting the efficiency (96%) of biotransformation including substrate concentration, incubation period, pH, and temperature were optimized. The position and stereochemistry of hydroxyl functionality on the isolated metabolites were established through extensive spectroscopic and spectrometric studies (1D, 2D NMR, ESI-MS, and MS/MS).

1 aHaldar, Saikat1 aMulani, Fayaj, A.1 aAarthy, Thiagarayaselvam1 aThulasiram, Hirekodathakallu, V. uhttps://library.ncl.res.in/content/whole-cell-mediated-11-beta-hydroxylation-basic-limonoid-skeleton-cunninghamella-002159nas a2200205 4500008004100000020004100041022001400082245006900096210006800165260009100233300001200324490000800336520140300344100002001747700001801767700002601785700002801811700001501839856009901854 2016 eng d a978-0-12-803612-9; 978-0-12-803595-5 a0091-679X00aWhat can simulations tell us about GPCRs: integrating the scales0 aWhat can simulations tell us about GPCRs integrating the scales a525 B Street, Suite 1900, San Diego, CA 92101-4495 USA :bElsevier Academic Press Inc. a429-4520 v1323 a

The functional dynamics of G protein-coupled receptors (GPCRs) encompasses multiple spatiotemporal scales, ranging from femtoseconds to seconds and Angstroms to micrometers. Computational approaches, often in close collaboration with experimental methods, have been invaluable in unraveling GPCR structure and dynamics at these various hierarchical levels. The binding of natural and synthetic ligands to the wild-type and naturally occurring variant receptors have been analyzed by several computational methods. The activation of receptors from the inactive to the active state has been investigated by atomistic simulations and ongoing work on several receptors will help uncover general and receptor-specific mechanisms. The interaction of GPCRs with complex membranes that contain phospholipids and cholesterol have been probed by coarse-grain methods and shown to directly influence receptor association. In this chapter, we discuss computational approaches that have been successful in analyzing each scale of GPCR dynamics. An overview of these approaches will allow a more judicious choice of the appropriate method. We hope that an appreciation of the power of current computational approaches will encourage more critical collaborations. A comprehensive integration of the different approaches over the entire spatiotemporal scales promises to unravel new facets of GPCR function.

1 aSengupta, Durba1 aJoshi, Manali1 aAthale, Chaitanya, A.1 aChattopadhyay, Amitabha1 aShukla, AK uhttps://library.ncl.res.in/content/what-can-simulations-tell-us-about-gpcrs-integrating-scales01701nas a2200229 4500008004100000245012700041210006900168260000800237300001200245490000800257520089500265100001801160700002101178700002001199700002101219700002001240700001801260700002401278700001801302700002001320856013101340 2016 eng d00aWide band gap and conducting tungsten carbide(WC) thin films prepared by hot wire chemical vapor deposition(HW-CVD) method0 aWide band gap and conducting tungsten carbideWC thin films prepa cNOV a315-3170 v1833 a

In this letter, we report synthesis of tungsten carbide (WC) thin films having wide band gap(3.22-3.3 eV) with high electrical conductivity (80-1260 S/cm) by HW-CVD using heated using heated W filament and Tetra-fluoro-methane (CF4) gas. Formation of WC was confirmed by low angle XRD, Raman spectroscopy and x-ray photoelectron spectroscopy. UV-Visible spectroscopy analysis revealed that the synthesized films have high transmission at wavelength 500 nm. Electrical properties measured using Hall measurement show that these films are semiconductor. The obtained results imply that the growth of WC thin films is mainly from the atomic species(W and C) evaporated from the hot filament. The HW-CVD opens a novel route to synthesize wide band gap and conducting WC at a cost-efficient way for DSSCs and hydrogen evolution reaction (HER). (C) 2016 Elsevier B. V. All rights reserved.

1 aPawbake, Amit1 aWaykar, Ravindra1 aJadhavar, Ashok1 aKulkarni, Rupali1 aWaman, Vaishali1 aDate, Abhijit1 aLate, Dattatray, J.1 aPathan, Habib1 aJadkar, Sandesh uhttps://library.ncl.res.in/content/wide-band-gap-and-conducting-tungsten-carbidewc-thin-films-prepared-hot-wire-chemical-vapor02884nas a2200301 4500008004100000022001400041245016300055210006900218260000800287300001800295490000800313520181300321653002402134653002002158653001402178653001702192653001202209653002902221653001902250653002802269653003602297653001502333100001602348700002902364700002702393700003002420856013202450 2017 eng d a1932-744700aWater mediated deactivation of Co3O4 naonrods catalyst for CO oxidation and resumption of activity at and above 373 K: electronic structural aspects by NAPPES0 aWater mediated deactivation of Co3O4 naonrods catalyst for CO ox cSEP a20296–203050 v1213 a

The catalytic activity of the Co3O4 nanorods (NRs) for the CO oxidation reaction and the effect of water on the catalytic reaction have been explored with near-ambient pressure photoelectron spectroscopy (NAPPES) and mass spectral analysis. Comparative NAPPES studies have been employed to understand the elucidation of the catalytic reaction pathway and the evolution of various surface species. The results confirm the suppression of the CO oxidation activity on the Co3O4 NRs in the presence of water vapor. Various type of surface species, such as CO(ads), hydroxyl, carbonate, formate, are found to be present on the catalyst surface depending on the reaction conditions. Vibrational features of CO, O-2, and CO, were observed and shift in binding energy of these features under the reaction conditions directly suggests a change in work function of the catalyst surface. Under dry conditions, CO couples with labile 0 atoms to form CO2; however, under wet conditions, CO predominantly interacts with surface OH groups resulting in the formation of carbonate and formate intermediates. In situ studies of oxidation of CO on Co3O4 shows that CO oxidation depends not only on surface Co3+ concentration but also influenced by Co-3/Co' ratio on the catalyst surface. The carbonate was found to be a reaction inhibitor at room temperature; however, it acts as an active intermediate at 375 K and above. Above the boiling point of water, Co3O4 NR surfaces begin to show the oxidation activity even in the presence of water vapor. The intrinsic role of intermediate species was used to derive a possible reaction mechanism under different reaction conditions.

10aAmbinent-temprature10acarbon monoxide10aGas Shift10aH Activation10aIn-situ10aLow-temprature oxidation10aMolecular-beam10aPerformance enhancement10aRay Photoelectron-Spectroscopyu10aThin-films1 aJain, Ruchi1 aReddy, Kasala, Prabhakar1 aGhosalya, Manoj, Kumar1 aGopinath, Chinnakonda, S. uhttps://library.ncl.res.in/content/water-mediated-deactivation-co3o4-naonrods-catalyst-co-oxidation-and-resumption-activity-and02016nas a2200181 4500008004100000022001400041245015300055210006900208260000800277300001400285490000700299520131800306100001901624700001601643700002701659700001701686856013101703 2018 eng d a2040-336400aWater induced morphological transformation of a poly(aryl ether) dendron amphiphile: helical fibers to nanorods, as light-harvesting antenna systems0 aWater induced morphological transformation of a polyaryl ether d cJAN a1464-14730 v103 a

Self-assembly of suitable molecular building blocks is an efficient and convenient approach to generate nanomaterials with various morphologies and functions. Moreover, understanding the nature of molecules and controlling factors of their self-assembly process is crucial in fundamental aspects of molecular self-assembly which provide insights into the design of new assemblies with functional nano-architectures. To this end, the present study reports water induced self-assembled multifaceted morphology formation and the plausible pathway of the morphology transformation of a single poly(aryl ether) dendron amphiphile 1(D). In THF, 1(D) self-assembles into helical fibers. However, with an increase in the water fraction in its THF solution, the morphology changes to nanorods through an intermediate scroll-up pathway of exfoliated fibers. The nanorod formation and transformation of 1(D) are investigated using various microscopy and spectroscopy techniques, which indicate that it has highly ordered multilayered arrays of 1(D) molecules. Finally, these multilayered arrays of 1(D) nanorods are exploited for constructing a model light-harvesting system via the incorporation of small quantities of two newly designed BODIPY based molecules as energy acceptors and 1(D) as an antenna chromophore.

1 aMaity, Arunava1 aDey, Ananta1 aGangopadhyay, Monalisa1 aDas, Amitava uhttps://library.ncl.res.in/content/water-induced-morphological-transformation-polyaryl-ether-dendron-amphiphile-helical-fibers02273nas a2200229 4500008004100000022001300041245012200054210006900176260000800245300001400253490000700267520144600274100002501720700002101745700002701766700002401793700002401817700002501841700002401866700002301890856013001913 2018 eng d a1466803300aWater mediated proton conductance in a hydrogen-bonded Ni(II)-bipyridine-glycoluril chloride self-assembled framework0 aWater mediated proton conductance in a hydrogenbonded NiIIbipyri cJAN a1094-11000 v203 a

Proton conducting properties have been investigated in a new Ni(II)-based hydrogen-bonded porous framework synthesized using a urea-fused bipyridine-glycoluril (BPG) tecton. This hydrogen-bonded self-assembled structure encapsulates water molecules in the channels with hydrogen-bonding networks which exhibits a significant temperature dependent proton conductance of 1.5 × 10−4 S cm−1 at 95 °C and 95% RH with a low activation energy (Ea) of 0.54 eV, implying a Grotthuss proton hopping mechanism mediated by hydrogen-bonded water molecules in the channels. In addition, this framework exhibited a very high water uptake under humid conditions. A continuous array of water molecules and chloride ions embedded in the highly hydrophilic porous channels of the hydrogen-bonded framework acts as the proton conducting medium.

 

 

1 aTayade, Sakharam, B.1 aBhat, Satish, S.1 aIllathvalappil, Rajith1 aDhavale, Vishal, M.1 aKawade, Vitthal, A.1 aKumbhar, Avinash, S.1 aKurungot, Sreekumar1 aNäther, Christian uhttps://library.ncl.res.in/content/water-mediated-proton-conductance-hydrogen-bonded-niii-bipyridine-glycoluril-chloride-self02263nas a2200217 4500008004100000022001400041245014400055210006900199260000800268300001600276490000600292520144900298100002701747700001701774700002401791700002801815700002101843700002501864700002401889856013201913 2018 eng d a2168-048500aWater-in-acid gel polymer electrolyte realized through a phosphoric acid-enriched polyelectrolyte matrix toward solid-state supercapacitors0 aWaterinacid gel polymer electrolyte realized through a phosphori cOCT a12630-126400 v63 aA new concept of water-in-acid gel polymer electrolytes (GPEs) is introduced. The simple and scalable UV-light-assisted synthesis of a copolymer matrix possessing polyelectrolyte behavior, followed by swelling in minimally diluted H3PO4 (15.1 M/88 wt % aqueous solution), effects formation of a high proton-conducting, self-standing, and mechanically stable polyelectrolyte GPE (PGPE). Retention of high mechanical stability despite the presence of a large amount of liquid species makes it a promising candidate for replacing conventional GPEs. The high proton conductivity (9.8 X 10(-2) S cm(-1)) of the PGPE at an ambient temperature of 303 K is attributed to the high concentration of the conducting species present in the polymer matrix. The PGPE-based polyaniline (PANI) supercapacitor device (PANI-1) with a mass loading of 1 mg cm(-2) exhibits a high specific gravimetric capacitance of 385 F g(-1) at a current density of 0.25 mA cm(-2). At the same current density, the PANI-5 device retains high gravimetric and areal capacitance values of 258 F g(-1) and 1288 mF cm(-2), respectively. The low equivalent series resistance value of 0.78 Omega (for the PANI-5 device) further proves the excellent electrode-electrolyte interface formed by the water-in-acid GPE. A 100% capacitance retention even after 9000 continuous charge-discharge cycles strongly indicates the feasibility of adopting water-in-acid GPEs in future supercapacitors.1 aVijayakumar, Vidyanand1 aGhosh, Meena1 aTorris, Arun, A. T.1 aChandran, Nikhil, M. K.1 aNair, Sanoop, B.1 aBadiger, Manohar, V.1 aKurungot, Sreekumar uhttps://library.ncl.res.in/content/water-acid-gel-polymer-electrolyte-realized-through-phosphoric-acid-enriched-polyelectrolyte01489nas a2200157 4500008004100000245006700041210006500108260000800173300001400181490001000195520096200205100001801167700003001185700002101215856009501236 2018 eng d00a Wet chemical synthesis of metal oxide nanoparticles: a review0 aWet chemical synthesis of metal oxide nanoparticles a review cSEP a5091-51070 v 20 3 aMetal oxide nanoparticles are an important class of nanomaterials that have found several applications in science and technology. Through wet chemical synthesis, it is possible to achieve selective surface structures, phases, shapes, and sizes of metal oxide nanoparticles, leading to a set of desired properties. Wet chemical synthesis routes allow fine tuning of the reaction conditions (temperature, concentration of substrate, additives or surfactants, pH, etc.) to afford the desired nanomaterials. In this review article, we highlight recent developments in the wet chemical synthesis of metal oxide nanoparticles to provide great control over the quality of the obtained nanomaterials. The review critically evaluates the different wet chemical methods for scalable production of metal oxide nanoparticles to satisfy the growing industrial demand for nanomaterials. Special attention is paid to continuous flow synthesis of metal oxide nanoparticles.1 aNikam, A., V.1 aPrasad, Bhagavatula L. V.1 aKulkarni, A., A. uhttps://library.ncl.res.in/content/wet-chemical-synthesis-metal-oxide-nanoparticles-review01326nas a2200181 4500008004100000022001300041245011300054210006900167260000900236300001700245490000700262520066700269100002100936700002400957700002200981700001701003856012401020 2018 eng d a1463907600aWhat drives the H-abstraction reaction in bio-mimetic oxoiron-bTAML complexes? A computational investigation0 aWhat drives the Habstraction reaction in biomimetic oxoironbTAML cAPR  a13845-13850 0 v203 aMonomeric iron-oxo units have been confirmed as intermediates involved in the C–H bond activation in various metallo-enzymes. Biomimetic oxoiron complexes of the biuret modified tetra-amido macrocyclic ligand (bTAML) have been demonstrated to oxidize a wide variety of unactivated C–H bonds. In the current work, density functional theory (DFT) has been employed to investigate the hydrogen abstraction (HAT) reactivity differences across a series of bTAML complexes. The cause for the differences in the HAT energy barriers has been found to be the relative changes in the energy of the frontier molecular orbitals (FMOs) induced by electronic perturbation.1 aMukherjee, Anagh1 aPattanayak, Santanu1 aGupta, Sayam, Sen1 aVanka, Kumar uhttps://library.ncl.res.in/content/what-drives-h-abstraction-reaction-bio-mimetic-oxoiron-btaml-complexes-computational02610nas a2200277 4500008004100000022001400041245012100055210006900176260000800245300001400253490000700267520170200274653002201976653001701998653002002015653001102035653001002046653000902056100002702065700002602092700002002118700001902138700002002157700002402177856013102201 2018 eng d a1467-764400aWRKY1 acts as a key component improving resistance against Alternaria solani in wild tomato, Solanum arcanum Peralta0 aWRKY1 acts as a key component improving resistance against Alter cAUG a1502-15130 v163 a

Early blight (EB), caused by Alternaria solani, is a major threat to global tomato production. In comparison with cultivated tomato (Solanum lycopersicum), a wild relative, S.arcanum exhibits strong resistance against EB. However, molecular cascades operating during EB resistance in wild or cultivated tomato plants are largely obscure. Here, we provide novel insight into spatio-temporal molecular events in S.arcanum against A.solani. Transcriptome and co-expression analysis presented 33-WRKYs as promising candidates of which 12 SaWRKYs displayed differential expression patterns in resistant and susceptible accessions during EB disease progression. Among these, SaWRKY1 exhibited induced expression with significant modulation in xyloglucan endotrans hydrolase 5 (XTH5) and MYB2 expressions that correlated with the disease phenotypes. Electro-mobility shift assay confirmed physical interaction of recombinant SaWRKY1 to SaXTH5 and SaMYB2 promoters. Comparative WRKY1 promoter analysis between resistant and susceptible plants revealed the presence of crucial motifs for defence mechanism exclusively in resistant accession. Additionally, many defence-related genes displayed significant expression variations in both the accessions. Further, WRKY1 overexpressing transgenic plants exhibited higher levels of EB resistance while RNAi silencing lines had increased susceptibility to A.solani with altered expression of XTH5 and MYB2. Overall, these findings demonstrate the positive influence of WRKY1 in improving EB resistance in wild tomato and this could be further utilized as a potential target through genetic engineering to augment protection against A.solani in crop plants.

10aAlternaria solani10aearly blight10aSolanum arcanum10aTomato10aWRKY110aXTH51 aShinde, Balkrishna, A.1 aDholakia, Bhushan, B.1 aHussain, Khalid1 aAharoni, Asaph1 aGiri, Ashok, P.1 aKamble, Avinash, C. uhttps://library.ncl.res.in/content/wrky1-acts-key-component-improving-resistance-against-alternaria-solani-wild-tomato-solanum01543nas a2200229 4500008004100000022001300041245004900054210004800103260000800151300001400159490000700173520088400180653002401064653001601088653001601104653001701120653002501137100002301162700002701185700002601212856007501238 2019 eng d a1877264100aWaste to wealth: a Case study of papaya peel0 aWaste to wealth a Case study of papaya peel cJUN a1755-17660 v103 a

Papaya is a popular fruit consumed worldwide and well-known for its food and nutritional values. It is used in food industries for the production of jams, jellies, etc. As a result, these industries generate huge amounts of papaya peel (PP) and seeds as by-products, which are typically considered a waste, and thus discarded. However, our current investigation indicates that PP is a valuable source of bioactive compounds, which can be converted into many value-added products. In this article, we review the physicochemical composition and valorization of PP. PP can be utilized to obtain many value-added products by fermentation (e.g., biofuels, adsorbents, dietary fibers, biomedicine, biomaterials). The biorefinery approach for PP will definitely increase the value of this waste by producing an array of value-added products and achieving zero waste generation.

10aBioactive compounds10aBiorefinery10aPapaya peel10aValorization10aValue-added products1 aPathak, Pranav, D.1 aMandavgane, Sachin, A.1 aKulkarni, Bhaskar, D. uhttps://library.ncl.res.in/content/waste-wealth-case-study-papaya-peel02182nas a2200169 4500008004100000022001400041245013200055210006900187260000900256300001600265490000700281520155000288100001701838700002501855700001601880856011601896 2019 eng d a1463-907600aWater-assisted stability of carbene: cyclic voltammetric investigation of 1-ethyl-3-methylimidazolium ethylsulfate ionic liquid0 aWaterassisted stability of carbene cyclic voltammetric investiga cNOV  a24126-241310 v213 a

In this work, we report electrochemical studies on imidazolium-based ionic liquids with an objective to explore the possibility of carbene formation in their dilute aqueous solutions. Conventionally, water plays a detrimental role during investigations involving ionic liquids, and this role has been investigated via electrochemical studies in aqueous ionic liquid solutions. There are varying opinions regarding the influence of water on the physicochemical behaviour of ionic liquids that require an in-depth understanding. To eludicate the role of water, we attempted to evaluate the electrochemical performance of ionic liquids in water as a solvent, and the influence of water on ionic liquids was explored through feasibility and stability studies on carbene formed in an aqueous imidazolium-based ionic liquid solution. The electrochemical investigation of an aqueous solution of 1-ethyl-3-methylimidazolium ethylsulfate ([EMIM][EtSO4]) revealed a redox couple. Detailed investigations suggest that reduction of the imidazolium cation occurs at the C2 position, with subsequent formation of carbene. Furthermore, an anodic peak was found to be associated with the oxidation of carbene. The coulometric process associated with the anodic peaks indicated that the two-electron oxidation of carbene occurred. The stability of carbene in water was evaluated through the use of different protic and aprotic solvents. The hydrogen bond-forming ability of carbene with water seems to be responsible for its improved stability in water.

1 aJain, Preeti1 aChaudhari, Vijay, R.1 aKumar, Anil uhttps://library.ncl.res.in/content/water-assisted-stability-carbene-cyclic-voltammetric-investigation-1-ethyl-301844nas a2200241 4500008004100000022001400041245010700055210006900162260000800231300001000239490000800249520099800257653002201255653002801277653002901305653001801334653002801352100002301380700002301403700002901426700002301455856012401478 2019 eng d a0021-951700aWater-promoted surface basicity in FeO(OH) for the synthesis of pseudoionones (PS) and their analogues0 aWaterpromoted surface basicity in FeOOH for the synthesis of pse cOCT a80-890 v3783 a

Use of Iron oxyhydroxide (gamma-FeO(OH)) as a robust catalyst for the synthesis of important intermediates like pseudoionones and their analogues through the C-C bond formation reactions like knoevenagel and aldol condensation is explored. These motifs are the building blocks for the construction of the sesquiterpenes as well as the diterpenes such as retinoic acid, Vitamin A etc. Iron oxyhydroxide (gamma-FeO(OH)) was synthesized and well characterized using XRD, FT-IR, TEM, XPS and adsorption studies to establish the catalytic activity. A thorough investigation on the nature of basic sites and the role of water as a promoter was explored based on dye adsorption, in situ methanol dissociation and CO2 adsorption studies. The catalyst also showed a wide range of substrate scope with active methylene groups involving various functional groups such as cyanides, esters and acetophenones along with its stability and reproducibility. (C) 2019 Elsevier Inc. All rights reserved.

10aBronsted basicity10aIron (III) oxyhydroxide10aKnoevenagel condensation10aPseudoionones10aSurface hydroxyl groups1 aVernekar, Dnyanesh1 aSakate, Sachin, S.1 aRode, Chandrashekhar, V.1 aJagadeesan, Dinesh uhttps://library.ncl.res.in/content/water-promoted-surface-basicity-feooh-synthesis-pseudoionones-ps-and-their-analogues06517nas a2200205 4500008004100000245012300041210006900164260000800233490000700241520576600248100002806014700002706042700001806069700001706087700002206104700001906126700002406145700002006169856012206189 2019 eng d00aWeak intermolecular interactions in covalent organic framework-carbon nanofiber based crystalline yet flexible devices0 aWeak intermolecular interactions in covalent organic frameworkca cAUG0 v113 a

The redox-active and porous structural backbone of covalent organic frameworks (COFs) can facilitate high-performance electrochemical energy storage devices. However, the utilities of such 2D materials as supercapacitor electrodes in advanced self-charging power-pack systems have been obstructed due to the poor electrical conductivity and subsequent indigent performance. Herein, we report an effective strategy to enhance the electrical conductivity of COF thin sheets through the in situ solid-state inclusion of carbon nanofibers (CNF) into the COF precursor matrix. The obtained COF-CNF hybrids possess a significant intermolecular π···π interaction between COF and the graphene layers of the CNF. As a result, these COF-CNF hybrids (DqTp-CNF and DqDaTp-CNF) exhibit good electrical conductivity (0.25 × 10–3 S cm–1), as well as high performance in electrochemical energy storage (DqTp-CNF: 464 mF cm–2 at 0.25 mA cm–2). Also, the fabricated, mechanically strong quasi-solid-state supercapacitor (DqDaTp-CNF SC) delivered an ultrahigh device capacitance of 167 mF cm–2 at 0.5 mA cm–2. Furthermore, we integrated a monolithic photovoltaic self-charging power pack by assembling DqDaTp-CNF SC with a perovskite solar cell. The fabricated self-charging power pack delivered excellent performance in the areal capacitance (42 mF cm–2) at 0.25 mA cm–2 after photocharging for 300 s.

1 aMohammed, Abdul, Khayum1 aVijayakumar, Vidyanand1 aHalder, Arjun1 aGhosh, Meena1 aAddicoat, Matthew1 aBansode, Umesh1 aKurungot, Sreekumar1 aBanerjee, Rahul uhttps://library.ncl.res.in/content/weak-intermolecular-interactions-covalent-organic-framework-carbon-nanofiber-based01854nas a2200265 4500008004100000022001400041245010800055210006900163260000900232300000800241490000700249520099900256653001901255653002501274653001501299653001301314653002501327653001601352653001801368653001501386100002301401700001901424700002401443856012101467 2019 eng d a1664-302X00aWeb-gLV: a web based platform for lotka-volterra based modeling and simulation of microbial populations0 aWebgLV a web based platform for lotkavolterra based modeling and cFEB  a2880 v103 a

The affordability of high throughput DNA sequencing has allowed us to explore the dynamics of microbial populations in various ecosystems. Mathematical modeling and simulation of such microbiome time series data can help in getting better understanding of bacterial communities. In this paper; we present Web-gLV- a GUI based interactive platform for generalized Lotka-Volterra (gLV) based modeling and simulation of microbial populations. The tool can be used to generate the mathematical models with automatic estimation of parameters and use them to predict future trajectories using numerical simulations. We also demonstrate the utility of our tool on few publicly available datasets. The case studies demonstrate the ease with which the current tool can be used by biologists to model bacterial populations and simulate their dynamics to get biological insights. We expect Web-gLV to be a valuable contribution in the field of ecological modeling and metagenomic systems biology.

10alotka-volterra10amicrobial population10aMicrobiome10aModeling10anumerical-simulation10atime-series10avisualization10aweb-server1 aKuntal, Bhusan, K.1 aGadgil, Chetan1 aMande, Sharmila, S. uhttps://library.ncl.res.in/content/web-glv-web-based-platform-lotka-volterra-based-modeling-and-simulation-microbial01701nas a2200157 4500008004100000245016000041210006900201260000800270300001400278490000700292520105800299100001601357700001601373700001901389856013501408 2019 eng d00aWhat news in the surface chemistry of bulk and supported vanadia based SCR‐catalysts: improvements in their resistance to poisoning and thermal sintering0 aWhat news in the surface chemistry of bulk and supported vanadia cOCT a1813-18280 v193 a

This paper reports a short review on the impact of poisoning effects and thermal aging on the reactivity of surface vanadate species on benchmark V2O5−WO3/TiO2 Selective‐Catalytic‐Reduction catalysts. A renewed interest of this SCR technology is related to its diversification notably as after‐treatment systems to treat the exhaust from Diesel engines with higher running temperature especially when SCR catalysts are coated on Diesel Particulates Filters. Particular attention is also paid to poisoning effects in conjunction with the progressive replacement of fossil fuels by bio‐fuels containing alkaline contaminants which drastically deactivate the catalyst through neutralization of strong acid sites. Most of the investigations show that better insight into the mechanisms of poisoning and aging processes is needed especially to understand the relative sensibility of various vanadate species. This could provide original guidelines to catalyst preparation and or the developments of more stable bulk systems as exemplified.

1 aGranger, P.1 aSiaka, H.W.1 aUmbarkar, S.B. uhttps://library.ncl.res.in/content/what-news-surface-chemistry-bulk-and-supported-vanadia-based-scr%E2%80%90catalysts-improvements02302nas a2200241 4500008004100000022001400041245011100055210006900166260000800235520145800243653002301701653002101724653001301745653002201758653001901780100001701799700002301816700002101839700002301860700002401883700002101907856013201928 2019 eng d a0721-759500aWhole proteome analysis of GA(3) response at panicle stage in Grape (Vitis vinifera) CV. Thompson seedless0 aWhole proteome analysis of GA3 response at panicle stage in Grap cOCT3 a

Rachis elongation is a crucial process in producing good quality table grapes. In compact clustered grape variety like Thompson Seedless, treating the flower panicles with a mild dose of GA(3) results in loose clusters. We sprayed GA(3) on Thompson Seedless panicles immediately after emergence, and the samples were collected at 6 h and 24 h after application. Whole proteome analysis revealed significant differential expression of 530 proteins of the total 1288 expressed proteins at two time-points. GO term enrichment analysis revealed enrichment of GO terms related to translation, biosynthetic processes, and photosynthesis in GA(3)-treated samples. As the process of rachis elongation requires enhanced carbon metabolism and accumulation of sugars through the expansion of phloem area, we attribute this to the overexpression of several proteins involved in these processes. Significantly highly expressed proteins also belonged to biological processes like the generation of precursor metabolites, cellular protein metabolic processes, response to abiotic stimulus, and protein metabolic processes. This study might be the first of its kind in deciphering the contribution of a different group of proteins during rachis elongation as an early response to GA(3) application in seedless grapes. These results provide quality information on various physiological and biochemical changes occurring during early stages of rachis elongation.

10aBunch architecture10aGibberellic acid10aProteome10aRachis elongation10aVitis vinifera1 aMaske, Smita1 aUpadhyay, Anuradha1 aJogaiha, Satisha1 aPatil, Sucheta, S.1 aKadoo, Narendra, Y.1 aGupta, Vidya, S. uhttps://library.ncl.res.in/content/whole-proteome-analysis-ga3-response-panicle-stage-grape-vitis-vinifera-cv-thompson-seedless01947nas a2200181 4500008004100000022001400041245014500055210006900200260000800269300001400277490000600291520123600297100002101533700002801554700002401582700003001606856012901636 2019 eng d a2046-206900aWhy the thin film form of a photocatalyst is better than the particulate form for direct solar-to-hydrogen conversion: a poor man's approach0 aWhy the thin film form of a photocatalyst is better than the par cFEB a6094-61000 v93 a

We demonstrated an easy method to improve the efficiency of photocatalysts by an order of magnitude by maximizing light absorption and charge carrier diffusion. Degussa titania (P25) and Pd/P25 composite photocatalyst thin films coated over regular glass plates were prepared and evaluated for solar hydrogen production in direct sunlight with aqueous methanol. It is worth noting that only UV light present in direct sunlight (similar to 4%) was absorbed by the catalysts. The hydrogen production activities of catalysts were compared for thin film and particulate forms at 1 and 25 mg levels. The hydrogen yield values suggested that 1 mg thin film form of Pd/P25 provided 11-12 times higher activity than 25 mg powder form. Comparable light absorption throughout the entire thickness of photocatalyst device and better contact of nanostructures that enabled the charge diffusion and charge utilization at redox sites are the reasons for high efficiency. While solar cells require charge carriers to diffuse through long distances of microns, they are utilized locally in an ensemble of particles (of nanometres) for hydrogen generation in photocatalyst thin films; this concept was used effectively in the present work.

1 aNalajala, Naresh1 aPatra, Kshirodra, Kumar1 aBharad, Pradnya, A.1 aGopinath, Chinnakonda, S. uhttps://library.ncl.res.in/content/why-thin-film-form-photocatalyst-better-particulate-form-direct-solar-hydrogen-conversion02320nas a2200229 4500008004100000022001400041245016200055210006900217260000900286300001600295490000600311520149100317100001901808700002101827700002101848700001901869700002101888700001801909700001901927700002201946856012201968 2020 eng d a2050-748800aWavelength dependent luminescence decay kinetics in `quantum-confined' g-C(3)N(4)nanosheets exhibiting high photocatalytic efficiency upon plasmonic coupling0 aWavelength dependent luminescence decay kinetics in quantumconfi cOCT  a20581-205920 v83 a

Serendipitous observations offer newer insights into materials properties. Here we describe g-C(3)N(4)nanosheets exhibiting remarkably blue-shifted photoluminescence within the 390-580 nm range centred at 425 nm which matches more closely with its `quantum-dots', and yet is excitation-wavelength independent. Moreover, surprisingly, the luminescence decay becomes increasingly slow at higher emission wavelengths, by up to 10 times. The nanosheets absorb only a fraction of visible-light. To improve this, when we designed a nanocomposite of g-C(3)N(4)and Au nanoparticles (NPs), it retained the PL characteristics and also exhibited excellent light-harvesting and photocatalytic efficiency for benzylamine (BA) oxidation. The surface plasmon resonance of the Au NPs is responsible for the high visible-light response and assisting the reaction by the `hot-electron' injection mechanism, while an uncharacteristic, pronounced co-catalytic effect by them further improves the efficiency. The conversion is 98% with >99% selectivity over 1.5 h of natural sunlight and open-air, probably the highest efficiency for BA photo-oxidation reactions. Even though such a dual role by plasmonic NPs has remained unscrutinized, we argue that the charge-transfer processes for the `hot-carrier' injection and co-catalytic events are well-separated in time due to a much slower photon incident frequency on a catalyst particle, enabling both to occur simultaneously in the same particle.

1 aMondal, Sanjit1 aSahoo, Lipipuspa1 aVaishnav, Yuvraj1 aMishra, Samita1 aRoy, Raj, Sekhar1 aVinod, C., P.1 aDe, Arijit, K.1 aGautam, Ujjal, K. uhttps://library.ncl.res.in/content/wavelength-dependent-luminescence-decay-kinetics-quantum-confined-g-c3n4nanosheets02901nas a2200349 4500008004100000022001400041245017200055210006900227260000800296300001400304490000700318520169700325653002202022653001102044653003402055653000802089653001702097653002502114653002602139653001402165653003002179100002402209700002402233700002702257700001602284700002502300700002002325700001902345700002802364700002902392856013002421 2020 eng d a0066-480400aWhole-cell phenotypic screening of medicines for malaria venture pathogen box identifies specific inhibitors of plasmodium falciparum late-stage development and egress0 aWholecell phenotypic screening of medicines for malaria venture  cMAY ae01802-190 v643 a

We report a systematic, cellular phenotype-based antimalarial screening of the Medicines for Malaria Venture Pathogen Box collection, which facilitated the identification of specific blockers of late-stage intraerythrocytic development of Plasmodium falciparum. First, from standard growth inhibition assays, we identified 173 molecules with antimalarial activity (50% effective concentration [EC50] <= 10 mu M), which included 62 additional molecules over previously known antimalarial candidates from the Pathogen Box. We identified 90 molecules with EC50 of <= 1 mu M, which had significant effect on the ring-trophozoite transition, while 9 molecules inhibited the trophozoite-schizont transition and 21 molecules inhibited the schizontring transition (with >= 50% parasites failing to proceed to the next stage) at 1 mu M. We therefore rescreened all 173 molecules and validated hits in microscopy to prioritize 12 hits as selective blockers of the schizont-ring transition. Seven of these molecules inhibited the calcium ionophore-induced egress of Toxoplasma gondii, a related apicomplexan parasite, suggesting that the inhibitors may be acting via a conserved mechanism which could be further exploited for target identification studies. We demonstrate that two molecules, MMV020670 and MMV026356, identified as schizont inhibitors in our screens, induce the fragmentation of DNA in merozoites, thereby impairing their ability to egress and invade. Further mechanistic studies would facilitate the therapeutic exploitation of these molecules as broadly active inhibitors targeting late-stage development and egress of apicomplexan parasites relevant to human health.

10aDNA fragmentation10aegress10aMedicines for Malaria Venture10aMMV10aPathogen Box10aphenotypic screening10aPlasmodium falciparum10aschizonts10astage-specific inhibition1 aPatra, Alok, Tanala1 aHingamire, Tejashri1 aBelekar, Meenakshi, A.1 aXiong, Aoli1 aSubramanian, Gowtham1 aBozdech, Zbynek1 aPreiser, Peter1 aShanmugam, Dhanasekaran1 aChandramohanadas, Rajesh uhttps://library.ncl.res.in/content/whole-cell-phenotypic-screening-medicines-malaria-venture-pathogen-box-identifies-specific02813nas a2200241 4500008004100000022001400041245016300055210006900218260000900287300000800296490000700304520194400311653001602255653002202271653001102293653002002304653002502324100003002349700002102379700002402400700002302424856012402447 2020 eng d a0250-470700aWide thermal range, exclusive occurrence of technically significant chiral nematic phase: synthesis and mesomorphism of cholesterol-based non-symmetric dimers0 aWide thermal range exclusive occurrence of technically significa cAUG  a1880 v433 a

Fifteen new non-symmetric chiral dimers belonging to three different series have been synthesized and evaluated for their mesomorphic properties. They are formed by interlinking cholesterol with salicylaldimine (SAN) cores (with reverse imine groups) via an omega-oxyalkanoyloxy spacer. Within a series, the length of the terminaln-alkoxy tails has been varied for a fixed even-parity spacer. Three even-parity spacers such as 4-oxybutanoyloxy, 6-oxyhexanoyloxy and 8-oxyoctanoyloxy have been used to join two cores, whereas the terminal tails such asn-butyloxy,n-hexyloxy,n-octyloxy,n-decyloxy andn-dodecyloxy chains have been attached to the SAN core. Microscopic and calorimetric experimental results show that all the dimers behave identically exhibiting the chiral nematic (N*) phase solely, which was authenticated by powder X-ray diffraction studies carried out on some selected samples. In the vast majority of the cases, this phase is thermodynamically stable, and while cooling, it exists over a wide thermal range covering room temperature (RT) due to supercooling. This finding is notable given the fact that the N* phase possesses technologically significant optical properties. At RT, the N* phase displayed one of the iridescent colours characteristically caused by interference and diffraction of the reflected and scattered light. A comparative study reveals that the lengths of both the terminal chain and central spacer influence the clearing temperature of the dimers, and also the temperature range of the N* phase. The selective reflection measurements revealed that the pitch of the N* phase is either temperature sensitive or temperature insensitive. Temperature-dependent circular dichroism (CD) spectra were recorded for the planar texture of the N* phase formed by a dimer, as a representative case. The presence of an intense negative CD band suggests the left-handed screw sense of the N* phase helix.

10aCD activity10acholesteric phase10adimers10aliquid crystals10aselective reflection1 aNayak, Rashmi, Ashwathama1 aBhat, Sachin, A.1 aRao, D., S. Shankar1 aYelamaggad, V., C. uhttps://library.ncl.res.in/content/wide-thermal-range-exclusive-occurrence-technically-significant-chiral-nematic-phase02844nas a2200241 4500008004100000022001400041245017400055210006900229260000800298300001400306490000600320520196200326653001602288653002002304653001402324653003002338653001902368100001802387700002802405700001502433700002402448856013002472 2020 eng d a2574-096200aWO3 nanorods bearing interconnected Pt nanoparticle units as an activity-modulated and corrosion-resistant carbon-free system for polymer electrolyte membrane fuel cells0 aWO3 nanorods bearing interconnected Pt nanoparticle units as an  cFEB a1908-19210 v33 a

Commercial platinum-supported carbon (Pt/C) catalyst is the most widely used oxygen reduction reaction (ORR) electrocatalyst in polymer electrolyte membrane fuel cells (PEMFCs). However, carbon oxidation in Pt/C during the operation of PEMFCs poses serious issues, particularly in meeting long-term durability of the cells. Although carbon-free Pt-based catalysts are considered to be the best alternatives, the single-cell performances reported for many such systems are found to be inferior to that of the carbon-based systems. As a practical way to realize a carbon-free electrocatalyst, we have developed a system by dispersing an interconnected Pt nanoparticle network on the nanorods of tungsten oxide (WO3). Uniform dispersion of the WO3 nanorods by fine and more or less interconnected Pt nanoparticles (20 wt %) is a key feature of the electrocatalyst. This has helped the system to achieve an intrinsic ORR characteristics which is very similar to that of Pt/C, as reflected from the comparative analysis of the onset potential, half-wave potential, limiting current density, and the number of electrons transferred in the ORR process. Pt/WO3 also shows better stability under start-stop accelerated potential cycling after 10 000 cycles, compared to Pt/C. The relative decrement in the electrochemically active surface area (ECSA) for Pt/WO3 nanorods was negligible, compared to the similar to 26% decrement registered by Pt/C under the identical testing conditions. Finally, a system-level validation in a single-cell model of PEMFC by fabricating a membrane electrode assembly (MEA) with Pt/WO3 as both the anode and cathode catalyst delivered comparable output power density as that of a similar system fabricated by using Pt/C. ECSA comparison in MEA shows the potential use of Pt/WO3-400 as the catalyst for the fuel cells, since it is exhibiting an ECSA value that is 3.4 greater than that of Pt/C at a Pt loading of 0.5 mg cm(-2).

10aCarbon-free10aelectrocatalyst10afuel cell10aoxygen reduction reaction10atungsten oxide1 aKumar, Sachin1 aBhange, Siddheshwar, N.1 aSoni, Roby1 aKurungot, Sreekumar uhttps://library.ncl.res.in/content/wo3-nanorods-bearing-interconnected-pt-nanoparticle-units-activity-modulated-and-corrosion02117nas a2200229 4500008004100000022001400041245011100055210006900166260000800235300001100243490000800254520135200262653001501614653001301629653002101642653001401663653001401677100002201691700002401713700002201737856012801759 2021 eng d a0255-270100aWastewater treatment and process intensification for degradation of solvents using hydrodynamic cavitation0 aWastewater treatment and process intensification for degradation cSEP a1084850 v1663 aIndustrial wastewater treatment for removal of small concentrations of harmful solvents is pertinent issue in many chemical and pharmaceutical industries. The present work evaluates removal of three common solvents by hydrodynamic cavitation (nominal capacity, 1m(3)/h). Solvent degradation of three solvents viz. octanol, dimethyl formamide and cyclohexanol was studied in the concentration range of 50-200 mg/L and for the pressure drop range of 0.5-5 bar. The vortex based cavitation device (vortex diode) was compared with that of linear flow based device (orifice). Process intensification in the form of aeration and addition oxidizing agent-hydrogen peroxide was also evaluated for synergistic effect. The vortex diode required lower pressure drop and is superior to orifice and process intensification using aeration is most effective. A reduction in TOC to the extent of 74% could be achieved for octanol (200 ppm) using aeration with cavitational yield of 1202x10(-4) mg/J for vortex diode, yield similar to 10 times of orifice. The degradation depends on the nature of solvent and it was revealed that low values of dielectric constant (epsilon<10) favour degradation. The kinetics was evaluated using rate model based on per-pass degradation factor. The process techno-economic feasibility is useful in industrial wastewater treatment.10aCavitation10aEffluent10aOrganics removal10aOxidation10apollution1 aPatil, Pravin, B.1 aBhandari, Vinay, M.1 aRanade, Vivek, V. uhttps://library.ncl.res.in/content/wastewater-treatment-and-process-intensification-degradation-solvents-using-hydrodynamic00660nas a2200181 4500008004100000022001400041245009900055210006900154260000800223300000800231490000700239100002500246700001900271700001900290700002000309700001800329856013100347 2021 eng d a0175-757100aWater mediated allosteric network in beta 2AR T164I variant modulates agonist binding affinity0 aWater mediated allosteric network in beta 2AR T164I variant modu cJUL a1620 v501 aNikte, Siddhanta, V.1 aSonar, Krushna1 aTandale, Aditi1 aSengupta, Durba1 aJoshi, Manali uhttps://library.ncl.res.in/content/water-mediated-allosteric-network-beta-2ar-t164i-variant-modulates-agonist-binding-affinity00868nas a2200253 4500008004100000022001400041245012800055210006900183260000900252300001100261490000700272653001900279653002500298653001500323653001300338653002500351653001600376653001800392653001500410100002300425700001900448700002400467856012300491 2021 eng d a1664-302X00aWeb-gLV: a web based platform for lotka-volterra based modeling and simulation of microbial populations (vol 10, 288, 2019)0 aWebgLV a web based platform for lotkavolterra based modeling and cJAN  a6053080 v1110alotka-volterra10amicrobial population10aMicrobiome10aModeling10anumerical-simulation10atime-series10avisualization10aweb-server1 aKuntal, Bhusan, K.1 aGadgil, Chetan1 aMande, Sharmila, S. uhttps://library.ncl.res.in/content/web-glv-web-based-platform-lotka-volterra-based-modeling-and-simulation-microbial-001361nas a2200229 4500008004100000022001400041245013800055210006900193260000900262490000700271520053600278653001500814653001800829653002800847653001400875653002000889653002000909653002000929100002400949700002600973856013200999 2021 eng d a0039-788100aWittig reactions of maleimide-derived stabilized ylides with alkyl pyruvates: concise approach to methyl ester of (+/-)-chaetogline A0 aWittig reactions of maleimidederived stabilized ylides with alky cAPR 0 v533 a

A facile synthesis of methyl ester of chaetogline A is reported starting from the corresponding methyl 1-methyltryptophanate-derived- maleimide. A stereoselective Wittig olefination with a carbonyl function in methyl pyruvate followed by phosphorous pentoxide-induced- regioselective dehydrative cyclization are the essential reactions. An acid-induced thermodynamically driven stereoselective beta- to alpha-position migration of the exocyclic C=C bond unit in ethyl tetrahydroindolizinoindolylidenepropanoate is described.

10aAmino acid10achaetogline A10adehydrative cyclization10amaleimide10amethyl pyruvate10aNatural product10aWittig reaction1 aShelar, Santosh, V.1 aArgade, Narshinha, P. uhttps://library.ncl.res.in/content/wittig-reactions-maleimide-derived-stabilized-ylides-alkyl-pyruvates-concise-approach-methyl01076nas a2200145 4500008004100000245013700041210006900178260000800247300001600255490000700271520047500278100002600753700002400779856012700803 2021 eng d00aWittig reactions of maleimide-derived stabilized ylides with alkyl pyruvates: concise approach to methyl ester of (±)-chaetogline A0 aWittig reactions of maleimidederived stabilized ylides with alky cAPR a2897–29020 v533 aA facile synthesis of methyl ester of chaetogline A is reported starting from the corresponding methyl 1-methyltryptophanate-derived­ maleimide. A stereoselective Wittig olefination with a carbonyl function in methyl pyruvate followed by phosphorous pentoxide-induced­ regioselective dehydrative cyclization are the essential reactions. An acid-induced thermodynamically driven stereoselective β- to α-position migration of the exocyclic C=C bond unit in ethyl… 1 aArgade, Narshinha, P.1 aShelar, Santosh, V. uhttps://library.ncl.res.in/content/wittig-reactions-maleimide-derived-stabilized-ylides-alkyl-pyruvates-concise-approach-001632nas a2200217 4500008004100000022001400041245007300055210006900128260000800197300001600205490000800221520094400229100001901173700002401192700001601216700002101232700001801253700002101271700001901292856010301311 2022 eng d a1520-610600aWater-controlled keto-enol tautomerization of a prebiotic nucleobase0 aWatercontrolled ketoenol tautomerization of a prebiotic nucleoba cJUL a5735–57430 v1263 a

Barbituric acid is believed to be a proto-RNA nucleobase that was used for biological information transfer on prebiotic earth before DNA and RNA in their present forms evolved. Nucleobases have various tautomeric forms and the relative stability of these forms is critical to their biological function. It has been shown that barbituric acid has a tri-keto form in the gas phase and an enol form in the solid state. However, its dominant tautomeric form in aqueous medium that is most relevant for biology has been investigated only to a limited extent and the findings are inconclusive. We have used multiple approaches, namely, molecular dynamics, quantum chemistry, NMR, and IR spectroscopy to determine the most stable tautomer of barbituric acid in solution. We find a delicate balance in the stability of the two tautomers, tri-keto and enol, which is tipped toward the enol as the extent of solvation by water increases.

1 aDatar, Avdhoot1 aPaithankar, Harshad1 aDeb, Pranab1 aChugh, Jeetender1 aBagchi, Sayan1 aMukherjee, Arnab1 aHazra, Anirban uhttps://library.ncl.res.in/content/water-controlled-keto-enol-tautomerization-prebiotic-nucleobase02851nas a2200277 4500008004100000022001400041245009800055210006900153260000800222300001400230490000700244520195500251653002002206653001802226653002502244653002802269653001902297100001902316700001902335700001802354700001902372700002302391700001802414700001802432856012302450 2022 eng d a0363-907X00aWearable fabric supercapacitors based on CNTs and polyhedral ZnO with a wide potential window0 aWearable fabric supercapacitors based on CNTs and polyhedral ZnO cMAY a8186-82000 v463 a

Wearable electronic devices such as health monitors, sensors, and e-skin can be powered by lightweight, high-power supercapacitors. Using a binder-free and low-temperature hydrothermal method, polyhedral ZnO nanoparticles were grown on carbon nanotube (CNT)-decorated cotton fabric, which is friendly to human skin and highly wearable, inexpensive, and thus commercially viable. The concentration of the starting material, zinc acetate, was varied to optimize the electrochemical performance. The evenly spaced polyhedral ZnO facilitated efficient permeation of the electrolyte into the active material. The fabric filaments were decorated with CNTs to enhance electron transfer and the overall electrochemical processes. The symmetric cell comprised of cotton fabric decorated with ZnO polyhedron/CNT showed no discernible change in the cyclic voltammetry curves even after 500 bending cycles, demonstrating the mechanical durability of the electrode. The potential window of 1.6 V using a Na2SO4/K2SO4 aqueous dual-ion electrolyte improved the long-term electrochemical stability and increased the energy storage capacity. The capacitance retention was 94% after 5000 cycles at a current density of 1 A center dot g(-1), indicating long-term electrochemical stability. A specific capacitance of 375 F center dot g(-1) at a current density of 5 A center dot g(-1) and energy density of 33.3 Wh center dot kg(-1) at a power density of 2000 W center dot kg(-1) were recorded for the optimized electrode. Highlights Polyhedral ZnO was grown on cotton fabric using a hydrothermal process. The electrochemical performance was optimized by varying the zinc acetate concentration. The highest specific capacitance was 375 F center dot g(-1) at a current density of 5 A center dot g(-1). Under optimal conditions, the capacitance retention was 94% at N = 5000 cycles. The energy density of the electrode was as high as 33.3 Wh center dot kg(-1).

10acarbon nanotube10aCotton fabric10ahydrothermal process10awearable supercapacitor10aZnO polyhedron1 aSamuel, Edmund1 aJoshi, Bhavana1 aPark, Chanwoo1 aAldalbahi, Ali1 aEl-Newehy, Mohamed1 aLee, Hae-Seok1 aYoon, Sam, S. uhttps://library.ncl.res.in/content/wearable-fabric-supercapacitors-based-cnts-and-polyhedral-zno-wide-potential-window01265nas a2200253 4500008004100000022001400041245010900055210006900164260000900233300001500242490000700257520044600264653001200710653002300722653001800745653002400763100001700787700001900804700001800823700002100841700001700862700001900879856011300898 2022 eng d a1867-388000aWell-defined calcium compound catalyzes trimerization of arylisocyanates into 1,3,5-triarylisocyanurates0 aWelldefined calcium compound catalyzes trimerization of arylisoc cJUN  ae2021017880 v143 a

We report the synthesis of a calcium complex (2) bearing a tetradentate monoanionic ligand with a diaminoethane core and phenolate and pyridine peripheral donors. Single crystal X-ray studies on 2 revealed that LiI was also co-crystallized, leading to a four-membered ring with four different elements. 2 was found to be an efficient catalyst for the cyclotrimerization of a variety of aromatic isocyanates under mild conditions.

10acalcium10aCyclotrimerization10aIsocyanurates10aTetradentate ligand1 aKumar, Rohit1 aSharma, Vishal1 aJain, Shailja1 aSharma, Himanshu1 aVanka, Kumar1 aSen, Sakya, S. uhttps://library.ncl.res.in/content/well-defined-calcium-compound-catalyzes-trimerization-arylisocyanates-13502108nas a2200193 4500008004100000022001400041245010900055210006900164260000800233300001400241490000600255520140400261100003001665700003001695700002001725700001601745700002801761856012501789 2022 eng d a2398-490200aWell-defined hierarchical teddy bear sunflower-like NiCo2O4 electrocatalyst for superior water oxidation0 aWelldefined hierarchical teddy bear sunflowerlike NiCo2O4 electr cDEC a5491-55020 v63 a

The development of a robust and efficient electrocatalyst for water oxidation is challenging due to the large overpotential requirement to transfer four electrons. Herein, a novel spinel-type hierarchical teddy bear sunflower-like NiCo2O4 electrocatalyst was synthesized through the facile solvothermal process and evaluated for the challenging and demanding oxygen evolution reaction (OER) in the water electrolysis process. The teddy bear sunflower-like NiCo2O4 supported on nickel foam (NF) delivers a current density of 50 mA cm(-2) at a small water oxidation overpotential (eta(50) = 319 mV) which is significantly lower than that of the corresponding spherical NiO/NF (eta(50) = 338 mV), and sea-urchin like Co3O4/NF (eta(50) = 357 mV). A large specific and electroactive surface area, as well as a high TOF value exhibited by the hierarchical teddy bear sunflower-like NiCo2O4 electrocatalyst, demonstrates the potential of NiCo2O4 to catalyze the water oxidation reaction efficiently. The impact of the near-Fermi-level d-orbital states in NiCo2O4 electrocatalyst for boosting OER activity was unveiled by the density functional theory calculation. The stable performance even after 16 h and high catalyst utilization of the hierarchical teddy bear sunflower-like NiCo2O4 through the OER indicates that the catalyst is highly suitable for the large-scale water oxidation process.

1 aBodhankar, Pradnya, M. M.1 aDhawale, Dattatray, S. S.1 aGiddey, Sarbjit1 aKumar, Ravi1 aSarawade, Pradip, B. B. uhttps://library.ncl.res.in/content/well-defined-hierarchical-teddy-bear-sunflower-nico2o4-electrocatalyst-superior-water01616nas a2200181 4500008004100000022001400041245008200055210006900137260000900206300001400215490000700229520098500236100002301221700002801244700002101272700003201293856010901325 2023 eng d a0888-588500aWadsworth-emmons reaction by using the fluorapatite catalyst: kinetic studies0 aWadsworthemmons reaction by using the fluorapatite catalyst kine cMAY  a7901-79110 v623 a

Wadsworth-Emmons reaction was successfully carriedout byusing the fluorapatite (FAP) catalyst. The reaction of 2-methoxybenzaldehydeand triethylphosphonoacetate using FAP afforded & alpha;,& beta;-unsaturatedester with 100% conversion and 80% selectivity. A kinetic model wasvalidated at different temperatures by Langmuir-Hinshelwood-Hougen-Watson(LHHW), and the absence of mass transfer resistance was verified bythe Weisz Prater criterion. The effect of different catalysts, temperature,catalyst loading, solvent, mole ratio, and speed of stirring was studied.The FAP catalyst was characterized by Fourier transform infrared spectroscopy,Brunauer-Emmett-Teller method, nitrogen adsorption-desorption,transmission electron microscopy, energy-dispersive X-ray spectroscopy,temperature programmed desorption (TPD-NH3), X-ray diffraction,and X-ray photoelectron spectroscopy. The FAP catalyst was found tobe stable up to three recycles with no loss in activity.

1 aVishwakarma, Rakhi1 aVinod, Chathakudath, P.1 aRathod, Virendra1 aKantam, Mannepalli, Lakshmi uhttps://library.ncl.res.in/content/wadsworth-emmons-reaction-using-fluorapatite-catalyst-kinetic-studies01658nas a2200169 4500008004100000245010500041210006900146260000800215300001100223490000700234520104200241100002001283700002401303700002001327700002001347856012101367 2023 eng d00aWavelet coherence phase analysis decodes the universal switching mechanism of Ras GTPase superfamily0 aWavelet coherence phase analysis decodes the universal switching cJUL a1070310 v263 a

The Ras superfamily of GTPases regulate critical cellular processes by shuttling between GTP-bound ON and GDP-bound OFF states. This switching mechanism is attributed to the conformational changes in two loops, SWI and SWII, upon GTP binding and hydrolysis. Since these conformational changes vary across the Ras superfamily, there is no generic parameter to define their functional states. A unique wavelet coherence (WC) analysis-based approach developed here shows that the structural changes in switch regions could be mapped onto the wavelet coherence phase couplings (WPCs). Thus, WPCs could serve as unique parameters to define their functional states. Disentanglement of WPCs in oncogenic GTPases shows how breakdown of structural allostery leads to their aberrant function. These observations stand out even for simulated ensemble of switch region conformers. Overall, for the first time, we show that WPCs could unravel the latent structural deviations in Ras proteins to decode their universal switching mechanism.

1 aMotiwala, Zenia1 aSandholu, Anand, S.1 aSengupta, Durba1 aKulkarni, Kiran uhttps://library.ncl.res.in/content/wavelet-coherence-phase-analysis-decodes-universal-switching-mechanism-ras-gtpase02013nas a2200217 4500008004100000022001400041245011600055210006900171260000800240300001500248490000700263520120100270653003601471653002301507653002901530653002001559653002401579100002501603700001701628856015001645 2023 eng d a1861-472800a"Weak" C-H•••S interaction drives enantioselectivity in cinchona alkaloid complex catalyzed thiocyanation0 aWeak CH S interaction drives enantioselectivity in cinchona alka cJUL ae2023003210 v183 a

The great success of asymmetric organocatalysis has made it one of the most important advancements made in chemistry in the past two decades. A significant achievement in this context is the asymmetric organocatalysis of the thiocyanation reaction. In the current study, computational studies with density functional theory have been done in order to understand an interesting experimental finding: the reversal of enantioselectivity from R to S when the electrophile is changed from beta-keto ester to oxindole for the thiocyanation reaction with the cinchona alkaloid complex catalyst. The calculations reveal an unusual fact - the principal reason for the reversal is the presence of the C-H center dot center dot center dot S noncovalent interaction, which is present only in the major transition states in each of the two nucleophile cases. Only recently has it been realized that the supposedly weak C-H center dot center dot center dot S noncovalent interaction has the properties of a hydrogen bond, and the fact that this interaction is the cause of enantioselectivity has relevance, because of the large number of asymmetric transformations involving the sulphur heteroatom.

10aDensity functional calculations10aEnantioselectivity10anoncovalent interactions10aorganocatalysis10areaction mechanisms1 aBanerjee, Subhrashis1 aVanka, Kumar uhttps://library.ncl.res.in/content/weak-c-h%E2%80%A2%E2%80%A2%E2%80%A2s-interaction-drives-enantioselectivity-cinchona-alkaloid-complex-catalyzed02399nas a2200301 4500008004100000245017300041210006900214260000800283300000600291490000700297520134600304653002601650653001101676653002501687653001601712653002801728100001701756700001901773700003301792700002001825700002001845700002301865700001801888700001801906700002201924700002001946856013101966 2023 eng d00aWhole genome sequencing and comparative genomics of Indian isolates of wheat spot blotch pathogen bipolaris sorokiniana reveals expansion of pathogenicity gene clusters0 aWhole genome sequencing and comparative genomics of Indian isola cJAN a10 v123 a

Spot blotch is a highly destructive disease in wheat caused by the fungal pathogen Bipolaris sorokiniana (teleomorph, Cochliobolus sativus). It is prevalent in warm and humid areas, including Africa, Asia, Latin America, and the USA. In the present study, twelve isolates of B. sorokiniana were collected from wheat fields in three different geographical locations in India. The pathogenicity of seven sporulating isolates was assessed on `DDK 1025', a spot blotch-susceptible wheat variety under greenhouse conditions. The isolate `D2' illustrated the highest virulence, followed by `SI' and `BS52'. These three isolates were sequenced using the Illumina HiSeq1000 platform. The estimated genome sizes of the isolates BS52, D2, and SI were 35.19 MB, 39.32 MB, and 32.76 MB, with GC contents of 48.48%, 50.43%, and 49.42%, respectively. The numbers of pathogenicity genes identified in BS52, D2, and SI isolates were 2015, 2476, and 2018, respectively. Notably, the isolate D2 exhibited a relatively larger genome with expanded arsenals of Biosynthetic Gene Clusters (BGCs), CAZymes, secretome, and pathogenicity genes, which could have contributed to its higher virulence among the tested isolates. This study provides the first comparative genome analysis of the Indian isolates of B. sorokiniana using whole genome sequencing.

10aBipolaris sorokiniana10aCAZyme10acomparative genomics10aspot blotch10awhole genome sequencing1 aYadav, Sagar1 aRaazi, Zarrine1 aShivaraj, Sheelavanta, Matha1 aSomani, Deepika1 aPrashant, Ramya1 aKulkarni, Abhijeet1 aKumar, Rajeev1 aBiradar, Suma1 aDesai, Shreenivas1 aKadoo, Narendra uhttps://library.ncl.res.in/content/whole-genome-sequencing-and-comparative-genomics-indian-isolates-wheat-spot-blotch-pathogen01871nas a2200265 4500008004100000022001400041245011700055210006900172260001100241490000700252520097200259653001701231653002401248653001801272653001901290100002601309700001501335700001601350700001601366700002701382700002201409700002801431700002501459856012101484 2023 eng d a1433-785100aWurtzite CuGaS2 with an in-situ-formed CuO layer photocatalyzes CO2 conversion to ethylene with high selectivity0 aWurtzite CuGaS2 with an insituformed CuO layer photocatalyzes CO cFEB 200 v623 a

We present surface reconstruction-induced C-C coupling whereby CO2 is converted into ethylene. The wurtzite phase of CuGaS2. undergoes in situ surface reconstruction, leading to the formation of a thin CuO layer over the pristine catalyst, which facilitates selective conversion of CO2 to ethylene (C2H4). Upon illumination, the catalyst efficiently converts CO2 to C2H4 with 75.1 % selectivity (92.7 % selectivity in terms of R-electron) and a 20.6 mu mol g(-1) h(-1) evolution rate. Subsequent spectroscopic and microscopic studies supported by theoretical analysis revealed operando-generated Cu2+, with the assistance of existing Cu+, functioning as an anchor for the generated *CO and thereby facilitating C-C coupling. This study demonstrates strain-induced in situ surface reconstruction leading to heterojunction formation, which finetunes the oxidation state of Cu and modulates the CO2 reduction reaction pathway to selective formation of ethylene.

10aC-C coupling10acharge polarization10aCO2 reduction10aPhotocatalysis1 aChakraborty, Subhajit1 aDas, Risov1 aRiyaz, Mohd1 aDas, Kousik1 aSingh, Ashutosh, Kumar1 aBagchi, Debabrata1 aVinod, Chathakudath, P.1 aPeter, Sebastian, C. uhttps://library.ncl.res.in/content/wurtzite-cugas2-situ-formed-cuo-layer-photocatalyzes-co2-conversion-ethylene-high02736nas a2200229 4500008004100000022001400041245010700055210006900162260000900231300001400240490000700254520195100261100002702212700001702239700001702256700001402273700002002287700001702307700002402324700002802348856013002376 2024 eng d a2050-748800aWater-chain mediated proton conductivity in mechanically flexible redox-active organic single crystals0 aWaterchain mediated proton conductivity in mechanically flexible cMAR  a5866-58740 v123 a

Investigating electrochemical features of proton-conducting organic crystalline materials is relevant in developing efficient energy storage and conversion devices. However, the poor structural flexibility of the crystalline materials at the molecular level often impedes hydrogen bond reorganization of the proton carriers during proton migration, ultimately leading to low ionic conductivity. Here, we report crystals of azobenzene, functionalized with dipicolylamine at both ends (Azo-DPA), which contain an extended hydrogen-bonding network with water molecules in its structure. Interestingly, the crystals display remarkable mechanical flexibility explicitly probed by the nanoindentation technique. The mechanically flexible neutral organic crystals devoid of any acidic moieties (-COOH, -PO3H2, etc.) within the system, exhibit promising proton conductivity (1.63 x 10-4 S cm-1 at 30 degrees C under 95% relative humidity) which is almost 100 times better compared to the neutral organic systems reported to date. Mechanically flexible redox-active crystalline organic material (Azo-DPA) capable of impressive proton conduction was employed as an electrode material for the first time in an aqueous battery containing Zn2+ ions. The experimental and theoretical studies on the charge storage mechanism revealed the redox activity of the azo (-N 00000000 00000000 00000000 00000000 11111111 00000000 11111111 00000000 00000000 00000000 N-) centers involving reversible insertion/extraction of protons and Zn2+ ions. Ultimately, the electrode displayed a specific capacity similar to 49 mA h g-1 with almost 100% retention after 1400 cycles, encouraging the scope of redox-active organic crystalline materials for energy storage applications. Investigating the electrochemical features of proton-conducting flexible organic crystalline materials is crucial for the development of efficient energy storage and conversion devices.

1 aHossain, Munshi, Sahid1 aGhosh, Meena1 aMondal, Amit1 aAjmal, P.1 aSaha, Monochura1 aReddy, Malla1 aKurungot, Sreekumar1 aBandyopadhyay, Subhajit uhttps://library.ncl.res.in/content/water-chain-mediated-proton-conductivity-mechanically-flexible-redox-active-organic-single01990nas a2200217 4500008004100000022001400041245013800055210006900193260000800262490000800270520122900278653001201507653000801519653002301527653002501550653002501575653000801600100001801608700001801626856012801644 2024 eng d a0927-025600aWhat leads to direct epoxidation? an exhaustive DFT investigation of electrophilic oxygen mediated epoxidation of ethylene on Ag(100)0 aWhat leads to direct epoxidation an exhaustive DFT investigation cAPR0 v2393 a

Extensive research has contributed to a better understanding of the commercially important epoxidation reaction. Selectivity, a crucial aspect of this reaction, has received significant attention in both experimental and theoretical investigations. However, a consensus regarding the role of electrophilic oxygen in epoxidation is yet to be reached. The present study is a theoretical examination of the prerequisites necessary for direct epoxidation to occur on the Ag(100) surface, at varied monolayer concentrations. Additionally, the study investigates the characteristics of various oxygen species interacting with ethylene to promote the direct epoxidation pathway. Based on the effective charges and projected density of states (pDOS) analysis, three oxygen variants were identified on the Ag(100) surface: atomic oxygen, dissociatively adsorbed molecular oxygen, and O 3 . The investigation reveals that all oxygen species, despite their physical and electronic differences, are electrophilic and undergo direct epoxidation. This work provides insights into the complex nature of epoxidation reaction and discusses electronic factors influencing the selective oxidation route on different Ag-O complexes.

10aAg(100)10aDFT10aDirect epoxidation10aElectrophilic oxygen10aEthylene Oxide (EtO)10aOMC1 aNair, Aathira1 aJoshi, Kavita uhttps://library.ncl.res.in/content/what-leads-direct-epoxidation-exhaustive-dft-investigation-electrophilic-oxygen-mediated02635nas a2200289 4500008004100000022001400041245010600055210006900161260000800230490000700238520166300245653001401908653003401922653001801956653002701974653002302001653002102024100001802045700002202063700001702085700001902102700003602121700001902157700001802176700002102194856013002215 2024 eng d a2468-519400aWide temperature enhanced sodium storage in tailored, sustainable sodiophilic biphasic N-doped carbon0 aWide temperature enhanced sodium storage in tailored sustainable cAPR0 v373 a

Alternative to Li-ion batteries(LIB), Na-ion batteries (NIB) and Na metal batteries (NMB) are gaining significant attention due to their low cost, abundance, and safety. By modulating microstructural properties such as graphitization, heteroatom doping, surface-rich functional groups, and interlayer d-spacing, Na-ion storage in NIB and Na plating/striping in NMB can be ameliorated. This study reports sodiophilic N-doped polymer-derived carbon (PDC) as an anode for NIB and host for Na metal in NMB. As NIB anode, PDC provides a storage capacity of 173 mAh g- 1 at 1 A g- 1 in half-cell and 84 mAh g- 1 at 1C (1C = 128 mAhg- 1) in full-cell with Na3V2(PO4)2F3 (NVPF) cathode. As Na metal anode (NMA) host, a high columbic efficiency (C.E.) of 99.45% for over 1000 cycles at 6 mA cm- 2_4 mAh cm-2 is obtained. Furthermore, fascinating wide temperature (50 degrees C and -20 degrees C) sodiumion storage is successfully demonstrated by PDC. Advanced X-ray photoelectron spectroscopy (XPS) confirmed the formation of stable and uniform solid electrolyte interphase (SEI) composed of inorganic and organic components, X-ray microtomography confirmed uniform Na plating throughout the volume of the electrode analogous to Brunauer-Emmett-Teller (BET) surface area, Raman spectroscopy, X-ray diffraction (XRD) and high-resolution transmission electron microscopy (HRTEM) results. A sustainable and scalable promising biphasic NIB anode and sodiophilic host for Na metal was possible due to larger d-spacing, partial graphitization, high mesoporosity, N-doping, presence of surface functional groups, better charge transfer, and diffusion properties.

10aFull-cell10aLow and elevated temperatures10aNa metal host10aPolymer-derived carbon10aSodium-ion battery10aX-ray tomography1 aYadav, Poonam1 aDas, Anoushka, K.1 aTorris, Arun1 aWasnik, Kundan1 aKoppisetti, Heramba, Venkata Sa1 aPol, Vilas, G.1 aShelke, Vilas1 aShelke, Manjusha uhttps://library.ncl.res.in/content/wide-temperature-enhanced-sodium-storage-tailored-sustainable-sodiophilic-biphasic-n-doped02092nas a2200229 4500008004100000022001400041245009700055210006900152260000900221300001200230490000700242520133000249653002101579653002301600653001501623653001401638653002501652100002001677700001901697700002101716856012501737 2025 eng d a1060-132500aWaste polyethylene to long-chain unsaturated esters and alcohols via alkene cross-metathesis0 aWaste polyethylene to longchain unsaturated esters and alcohols  cAUG  a660-6680 v623 a

The conversion of waste polyethylene into valuable long-chain functional molecules offers a contemporary solution to the global plastic waste challenge. This study presents a two-step catalytic approach, comprising of polyethylene (PE) dehydrogenation followed by cross-metathesis with renewable resource-derived functional olefins, catalyzed by the Grubbs-II catalyst (G-II). A dehydrogenated polyethylene (DHP) was subjected to a tandem catalytic cross-alkene metathesis with functional olefins under mild conditions to achieve approximately 36% conversion of DHP into valuable long-chain building blocks with controlled product distribution. Comprehensive characterization of intermediates and products was performed using NMR, GC, GC-MS, GPC, and DSC. In the alkene cross-metathesis with methyl-10-undecenoate, the product distribution consisted of 23% lower alkenes (C8-C14), 40% unsaturated long-chain mono-esters (C12-C18), and 37% unsaturated di-esters. In the case of 10-undecen-1-ol, the distribution included 20% lower alkenes (C8-C11), 32% unsaturated long-chain (C12-C18) mono-alcohols, and 48% unsaturated di-alcohols. This strategy opens up new opportunities for converting waste polyethylene into high-value chemical intermediates, enabling resource recovery and delivering environmental benefits.

10adepolymerization10afunctional olefins10aMetathesis10aRecycling10aValue-added products1 aKhopade, K., V.1 aBodkhe, D., V.1 aChikkali, S., H. uhttps://library.ncl.res.in/content/waste-polyethylene-long-chain-unsaturated-esters-and-alcohols-alkene-cross-metathesis01239nas a2200181 4500008004100000022001400041245009000055210006900145260000800214300001600222490000700238520060400245100002200849700002000871700002600891700002100917856011900938 2025 eng d a1359-734500aWater-driven modulation of multiresponsive properties in acylhydrazone-based crystals0 aWaterdriven modulation of multiresponsive properties in acylhydr cAUG a12139-121420 v613 a

A pyrene-substituted acylhydrazone (PyAc) crystal undergoes a water-driven transition from elasticity to thermoplastic bending. The hydrated crystal remains two-dimensional (2D) elastic until heating, after which it becomes brittle and bent upon dehydration. While the hydrated crystal is non-photoresponsive, the anhydrous form exhibits photomechanical bending due to favorable E-Z photoisomerization. These distinct properties, governed by solvent channels, molecular packing, and non-covalent interactions, demonstrate PyAc's potential for smart actuators and photoswitchable devices.

1 aManoharan, Deepak1 aBhowmik, Aritra1 aMishra, Manish, Kumar1 aGhosh, Soumyajit uhttps://library.ncl.res.in/content/water-driven-modulation-multiresponsive-properties-acylhydrazone-based-crystals02712nas a2200193 4500008004100000022001400041245006500055210006300120260000900183300001400192490000700206520208600213100002102299700001902320700002802339700002102367700003202388856009802420 2025 eng d a2058-988300aW/HAP catalyzed terpenic alcohols oxidation: kinetic studies0 aWHAP catalyzed terpenic alcohols oxidation kinetic studies cOCT  a2696-27100 v103 a

The selective oxidation of natural alcohols into carbonyl derivatives is a pivotal transformation in synthetic organic chemistry and industrial applications. This study focuses on the oxidation of borneol, a bicyclic secondary terpenic alcohol, into camphor using a tungsten-exchanged hydroxyapatite (W/HAP) catalyst and hydrogen peroxide as a green oxidant. Hydroxyapatite was synthesized via co-precipitation and functionalized with sodium tungstate to create the W/HAP catalyst, which was characterized using techniques such as SEM, EDS, TPD, XPS, and N2 adsorption-desorption to evaluate its surface morphology, porosity, and chemical composition. Oxidation reactions were conducted under optimized conditions, employing dimethylacetamide (DMA) as a solvent to achieve maximum conversion and selectivity. The W/HAP catalyst demonstrated superior performance, achieving nearly 99% conversion of borneol with 100% selectivity for camphor. Reaction parameters, including temperature, reactant stoichiometry, solvent choice, and catalyst loading, were systematically investigated. Higher reaction temperatures and oxidant concentrations favoured rapid conversion while maintaining high selectivity. Solvent effects revealed that DMA stabilized peroxo-tungstate intermediates, enhancing reaction efficiency compared to other solvents. Kinetic studies confirmed a first-order reaction mechanism with respect to borneol, and the activation energy was determined to be 44.23 kJ mol-1, highlighting the catalytic efficiency of W/HAP. Reusability tests confirmed the stability of the W/HAP catalyst over multiple cycles with minimal tungsten leaching. The methodology was extended to other terpenic alcohols, with varying degrees of success, emphasizing the substrate-specific activity of the catalyst. This work underscores the potential of tungsten-based heterogeneous catalysts in sustainable alcohol oxidation and highlights the industrial relevance of camphor synthesis as a renewable and eco-friendly approach to produce fine chemicals, fragrances, and pharmaceuticals.

1 aPoman, Aishwarya1 aKamble, Paresh1 aVinod, Chathakudath, P.1 aRathod, Virendra1 aKantam, Mannepalli, Lakshmi uhttps://library.ncl.res.in/content/whap-catalyzed-terpenic-alcohols-oxidation-kinetic-studies02419nas a2200265 4500008004100000245014000041210006900181260000900250300001600259490000600275520156400281653000701845653000801852653001901860653001801879653000901897653000801906100001601914700001801930700001901948700001801967700001901985700001902004856013002023 2025 eng d00aWS2 nanoparticle-decorated, vertically aligned SnS2-based high-performance heterostructures for ambient-stable ultrafast photodetection0 aWS2 nanoparticledecorated vertically aligned SnS2based highperfo cOCT  a21047-210560 v83 a

The development of visible-light photodetectors with high responsivity, rapid response, and long-term ambient stability remains a critical challenge in optoelectronics. Here, we report a high-performance photodetector based on a vertically aligned SnS2 film interfaced with WS2 nanoparticles, forming a p-n heterojunction. This device is fabricated using a scalable two-step method-chemical vapor deposition (CVD) for SnS2 growth and solution-based drop-casting for WS2 deposition-enabling precise control over the heterointerface, but trap states are inevitable due to the use of thermal CVD and the drop-casting method. The resulting photodetector exhibits remarkable optoelectronic characteristics, including a responsivity of 0.76 A/W, a detectivity of 7.56 x 10(11) Jones, a photo-to-dark current ratio of 119, and a fast rise time of 0.297 ms under visible illumination. These performance metrics are directly attributed to the optimized heterointerface, where the built-in electric field at the nanoscale WS2/SnS2 junctions promotes efficient charge separation and minimizes recombination losses. Notably, the device retains over 95% of its initial performance even after 1 week of ambient exposure, highlighting its superior environmental robustness. This work introduces an interface-engineering strategy that leverages the unique electronic properties of earth-abundant, nontoxic two-dimensional materials, offering a viable pathway for scalable, high-speed, and stable photodetectors suitable for next-generation optoelectronic systems.

10a2D10aCVD10aheterojunction10aphotodetector10aSnS210aWS21 aDas, Chayan1 aKumar, Suresh1 aSharma, Anjali1 aKumar, Mahesh1 aRath, Arup, K.1 aSahu, Satyajit uhttps://library.ncl.res.in/content/ws2-nanoparticle-decorated-vertically-aligned-sns2-based-high-performance-heterostructures02604nas a2200253 4500008004100000022001400041245013800055210006900193260000800262300001100270490000800281520171600289653002102005653002602026653002702052653002202079653002002101653002702121100001902148700002402167700002302191700001902214856011702233 2026 eng d a0921-344900aWaste-to-sensor: repurposing spent Li-ion battery graphite into reduced graphene oxide for electrochemical detection of ascorbic acid0 aWastetosensor repurposing spent Liion battery graphite into redu cJAN a1086100 v2253 a

Spent lithium-ion batteries (S-LIBs) are typically discarded in landfills after their lifecycle ends, despite containing valuable materials like graphite. While much research focuses on extracting precious metals from the cathode, this study explores the recycling, recovery, and reuse of spent graphite, converting it into reduced graphene oxide (rGO) for electrochemical sensing. The rGO material demonstrated excellent sensitivity to ascorbic acid (AA) in a concentration range of 1 mM to 100 mM at pH 7.6, offering a cost-effective solution for AA detection. The recovered graphite (RG) from S-LIBs and commercial graphite (CG) was first converted into graphene oxide (R-GO, C-GO) and then reduced (R-rGO, C-rGO). This material underwent extensive structural characterization using techniques such as powder X-ray diffraction (PXRD), Raman spectroscopy, X-ray photoelectron spectroscopy (XPS), Brunauer-Emmett-Teller (BET) analysis, field-emission scanning electron microscopy (FE-SEM), and high-resolution transmission electron microscopy (HR-TEM). Electrochemical performance was evaluated through cyclic voltammetry (CV), differential pulse voltammetry (DPV). This study underscores the ``waste-to-wealth'' concept and supports circular economy principles by transforming electronic waste into a valuable resource. The LOD and LOQ for both the material R-rGO and C-rGO were calculated as 3.055 mM, 10.18 mM, and 3.41 mM, 11.36 mM, respectively. The rGO-based sensor not only promotes sustainable recycling but also offers a low-cost, high-performance solution for ascorbic acid detection, with potential applications in food quality monitoring, medical diagnostics, and the cosmetic industry.

10acircular economy10aClosed loop recycling10aElectrochemical sensor10aGraphite recovery10aHydrometallurgy10aSpent Li-ion batteries1 aRawat, Purnima1 aShivamurthy, B., P.1 aPatil, Vaibhav, J.1 aNayaka, G., P. uhttps://library.ncl.res.in/content/waste-sensor-repurposing-spent-li-ion-battery-graphite-reduced-graphene-oxide02057nas a2200205 4500008004100000022001400041245008000055210006900135260000800204300001100212490000800223520141000231653001701641653001501658653002401673653000801697100001701705700001801722856011101740 2026 eng d a0169-433200aWhen facets meet impurities: Trace gas dominance over CO2 adsorption on ZnO0 aWhen facets meet impurities Trace gas dominance over CO2 adsorpt cMAY a1661510 v7293 a

The catalytic hydrogenation of CO2 to methanol using Cu-ZnO/Al2O3 (CZA) is a key route for sustainable chemical production, when coupled with CO2-rich industrial off-gases. However, trace secondary gases, though present only at ppm levels, can poison active sites and suppress catalytic performance. In this work, we employ periodic density functional theory (DFT) to investigate interactions of H2S, SO2, NO2, NO, CO and CH4 with ZnO surfaces:(10(-)10), (10(-)11), (11(-)20), (10(-)13), and (11(-)22), and compared their adsorption pattern with CO2, the principle component of methanol synthesis. H2S dissociates on all the surfaces, SO2, and NO2 are chemisorbed, CH4 remains physisorbed, and NO, CO, and CO2 exhibit facet-dependent adsorption. Electronic structure analysis reveal that chemisorption occurs when surface energy states near the Fermi level overlap with HOMO of adsorbate, enabling charge transfer, whereas physisorption lacks such overlap. The adsorption strength follows the order: H2S SO2 NO2 NO CO CO2 CH4, suggesting that sulfur and nitrogen containing species exhibit strong chemisorption and compete with CO2 for active sites, potentially impacting the efficiency of methanol synthesis. These insights provide an atomic scale understanding of impurity-surface interactions and highlight potential role of ZnO as an efficient feed stock purifier for CO2-rich gas streams.

10aCZA catalyst10aflue gases10aValorization of CO210aZnO1 aBhati, Meema1 aJoshi, Kavita uhttps://library.ncl.res.in/content/when-facets-meet-impurities-trace-gas-dominance-over-co2-adsorption-zno