01145nas a2200217 4500008004100000022001400041245010000055210006900155260007500224300001200299490000700311520035700318653001400675653000900689653001900698100002000717700001900737700002100756700002300777856012700800 2005 eng d a0793-028300aEfficient and improved method for the Biginelli reaction using solid superacid (sulphated SnO2)0 aEfficient and improved method for the Biginelli reaction using s aPO BOX 35010, TEL AVIV 61350, ISRAELbFREUND PUBLISHING HOUSE LTDcOCT a399-4020 v113 a

One-pot synthesis of 3,4-dihydropyrimidin-2(1H)-one (DHPM) has been effected efficiently by coupling of the three components, aldehyde, ethyl acetoacetate and urea/thiourea in the presence of solid Superacid (sulphated SnO2). The method presented herein is attractive with respect to yield, reaction time, workup procedure and reusable catalyst.

10aBiginelli10aDHPM10asulphated SnO21 aBhosale, R., S.1 aHashmi, A., M.1 aZubaidha, P., K.1 aDongare, Mohan, K. uhttps://library.ncl.res.in/content/efficient-and-improved-method-biginelli-reaction-using-solid-superacid-sulphated-sno2-000574nas a2200181 4500008004100000245004800041210004700089260000800136490000700144100002600151700002200177700002300199700002400222700002100246700001500267700003200282856007800314 2005 eng d00aIndia: apremier destination for outsourcing0 aIndia apremier destination for outsourcing cJAN0 v421 aChorghade, Mukund, S.1 aChorghade, V., M.1 aGurjar, Mukund, K.1 aRamana, Chepuri, V.1 aKamerkar, A., V.1 aZafran, H.1 aMashelkar, Raghunath, Anant uhttps://library.ncl.res.in/content/india-apremier-destination-outsourcing01724nas a2200217 4500008004100000020001800041022001400059245011200073210006900185260012300254300001200377490000800389520088500397100001201282700001801294700001701312700001301329700001501342700001801357856013101375 2005 eng d a0-444-52082-1 a0167-299100aInfluence of Sn- and Al- metal sources on post-synthesis modification of mesoporous SBA-15 molecular sieves0 aInfluence of Sn and Al metal sources on postsynthesis modificati aPrague, Czech RepublicbElsevier Science BV, Sara Burgerhartstraat 25, Po Box 211, 1000 AE Amsterdam, NetherlandscAUG a565-5720 v1583 a

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

1 aShah, P1 aRamaswamy, AV1 aRamaswamy, V1 aCejka, J1 aZilkova, N1 aNachtigall, P uhttps://library.ncl.res.in/content/influence-sn-and-al-metal-sources-post-synthesis-modification-mesoporous-sba-15-molecular-001250nas a2200229 4500008004100000020001800041022001400059245007900073210006900152260005000221300001200271490000800283520050100291100001900792700002100811700001800832700001600850700001400866700001600880700001900896856010500915 2005 eng d a0-444-52082-1 a0167-299100aMolecular dynamics simulations of H2O with sites of Cu-I-FAU and Cu-II-FAU0 aMolecular dynamics simulations of H2O with sites of CuIFAU and C aPrague, Czech RepublicbElsevier SciencecOCT a655-6620 v1583 a

A Born Oppenheimer molecular dynamic (BOMD) approach was chosen to study the interaction of water molecules with Cu-FAU models. We have compared the reactivity of Cu-I and Cu-II with the zeolite and compared the results to those calculated for Na. This Study shows a decrease of the coordination with time for Cu-I whereas there is not a significant change for Cu-II. BOMD shows also that, in the presence of water, Na+ may lead to easier cation exchange than for transition metal cations.

1 aBerthomieu, D.1 aKrishnamurty, S.1 aHeine, Thomas1 aGoursot, A.1 aCejka, J.1 aZilkova, N.1 aNachtigall, P. uhttps://library.ncl.res.in/content/molecular-dynamics-simulations-h2o-sites-cu-i-fau-and-cu-ii-fau-001648nas a2200253 4500008004100000245010500041210006900146260010900215300001400324490000600338520068500344653002301029653001401052653002201066100003001088700001501118700002101133700002601154700001901180700001901199700002501218700002001243856013101263 2005 eng d00aNovel method for the synthesis of siloxane nanowires and filaments using gold nanoparticle catalysts0 aNovel method for the synthesis of siloxane nanowires and filamen a Calcutta, IndiabWorld Scientific Publ Co Pte Ltd, Po Box 128 Farrer Rd, Singapore 9128, SingaporecDEC a1007-10100 v43 a

A unique polymerization reaction of alkylsilanes to siloxane nanowires, filaments and tubes in presence of gold nanoparticles and water is presented. The gold nanoparticles, which catalyze this reaction also work as templates restricting the shape of the resulting polymers into wires and tubes. High resolution transmission electron microscopy images clearly reveal the presence of gold nanoparticle at the tip of each wire supporting the template hypothesis. Elemental analyses by different methods confirm the stoichiometry to be C18H37SiO1.5, when the alkylsilane used was C18H37SiH3, thus proving that the alkyl group remains intact during the polymerization reaction.

10agold nanoparticles10aNanowires10asiloxane polymers1 aPrasad, Bhagavatula L. V.1 aStoeva, S.1 aSorensen, C., M.1 aKlabunde, Kenneth, J.1 aZaikovskii, V.1 aSanyal, M., K.1 aRaychaudhuri, A., K.1 aChakravorty, D. uhttps://library.ncl.res.in/content/novel-method-synthesis-siloxane-nanowires-and-filaments-using-gold-nanoparticle-catalysts-001818nas a2200193 4500008004100000245006300041210006300104260000800167300001800175490000700193520117200200100002201372700002401394700003001418700002501448700003001473700002601503856009501529 2005 eng d00aReversible transformations of gold nanoparticle morphology0 aReversible transformations of gold nanoparticle morphology cSEP a10280–102830 v213 a

Herein is reported a metamorphosis taking place in a gold nanosized system. The observed phenomenon of shape and size transformations was found to be completely reversible. Unlike most procedures in the literature where shape and size control occur in the synthetic step by adding growth- and shape-controlling agents such as surfactants or polymers, in this system postsynthetic changes in shape and size can be carried out simply by changing the ratio of reactive, competing reagents, more specifically, alkylthiols versus tetralkylammonium salts. Interestingly, the transfer of gold metal occurs (large prismatic particles to small particles and vice versa) under the influence of reagents that do not cause such interactions with bulk gold. All intermediate steps of the morphology change were observed using HRTEM and electron diffraction. The processes of breaking down and “welding back” solid metal nanoparticles occur under mild conditions and are remarkable examples of the unique chemical properties of nanomaterials. The described process is expected to be relevant to other nanoscale systems where similar structural circumstances could occur.

1 aStoeva, Savka, I.1 aZaikovski, Vladimir1 aPrasad, Bhagavatula L. V.1 aStoimenov, Peter, K.1 aSorensen, Christopher, M.1 aKlabunde, Kenneth, J. uhttps://library.ncl.res.in/content/reversible-transformations-gold-nanoparticle-morphology01531nas a2200229 4500008004100000022001400041245009700055210006900152260008600221300001000307490000700317520071300324653000601037653002301043653001401066653002701080653001301107100002401120700001501144700001601159856012601175 2006 eng d a0039-791100aGrapevine DNA polymorphisms revealed by microsatellite-derived markers from soybean and rice0 aGrapevine DNA polymorphisms revealed by microsatellitederived ma a325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USAbTAYLOR & FRANCIS INCcJAN a81-840 v453 a

We report detection of DNA polymorphisms in grapevine by the use of microsatellite-flanking primer pairs from soybean and rice. These "cross species" microsatellite-derived markers were checked for their inheritance patterns in controlled grapevine crosses. They produced multiple bands that segregated and can be scored as individual genetic markers of dominant type. Employed in genetic mapping studies they offer advantages such as improved reproducibility in comparison to commonly used multi-locus marker systems like RAPDs and AFLPs.

10a110a3-dipolar addition10apyrazoles10aregiospecific reaction10asydnones1 aAgrawal, Dinesh, C.1 aTopfer, R.1 aZyprian, E. uhttps://library.ncl.res.in/content/grapevine-dna-polymorphisms-revealed-microsatellite-derived-markers-soybean-and-rice-102961nas a2200217 4500008004100000022001400041245017900055210006900234260008000303300001400383490000800397520206000405100002002465700002202485700002602507700002202533700002002555700001702575700002102592856013002613 2006 eng d a0032-088900aMolecular interactions between the specialist herbivore Manduca sexta (Lepidoptera, Sphingidae) and its natural host Nicotiana attenuata. VII. changes in the plant's proteome0 aMolecular interactions between the specialist herbivore Manduca  a15501 MONONA DRIVE, ROCKVILLE, MD 20855 USAbAMER SOC PLANT BIOLOGISTScDEC a1621-16410 v1423 a

When Manduca sexta attacks Nicotiana attenuata, fatty acid-amino acid conjugates (FACs) in the larvae's oral secretions (OS) are introduced into feeding wounds. These FACs trigger a transcriptional response that is similar to the response induced by insect damage. Using two-dimensional gel electrophoresis, matrix-assisted laser desorption ionization-time of flight, and liquid chromatography-tandem mass spectrometry, we characterized the proteins in phenolic extracts and in a nuclear fraction of leaves elicited by larval attack, and/or in leaves wounded and treated with OS, FAC-free OS, and synthetic FACs. Phenolic extracts yielded approximately 600 protein spots, many of which were altered by elicitation, whereas nuclear protein fractions yielded approximately 100 spots, most of which were unchanged by elicitation. Reproducible elicitor-induced changes in 90 spots were characterized. In general, proteins that increased were involved in primary metabolism, defense, and transcriptional and translational regulation; those that decreased were involved in photosynthesis. Like the transcriptional defense responses, proteomic changes were strongly elicited by the FACs in OS. A semiquantitative reverse transcription-PCR approach based on peptide sequences was used to compare transcript and protein accumulation patterns for 17 candidate proteins. In six cases the patterns of elicited transcript accumulation were consistent with those of elicited protein accumulation. Functional analysis of one of the identified proteins involved in photosynthesis, RuBPCase activase, was accomplished by virus-induced gene silencing. Plants with decreased levels of RuBPCase activase protein had reduced photosynthetic rates and RuBPCase activity, and less biomass, responses consistent with those of herbivore-attacked plants. We conclude that the response of the plant's proteome to herbivore elicitation is complex, and integrated transcriptome-proteome-metabolome analysis is required to fully understand this ubiquitous ecological interaction.

1 aGiri, Ashok, P.1 aWuensche, Hendrik1 aMitra, Sirsha, Sribas1 aZavala, Jorge, A.1 aMuck, Alexander1 aSvatos, Ales1 aBaldwin, Ian, T. uhttps://library.ncl.res.in/content/molecular-interactions-between-specialist-herbivore-manduca-sexta-lepidoptera-sphingidae-002255nas a2200253 4500008004100000022001400041245010200055210006900157260007100226300001400297490000700311520133300318100002901651700002301680700002301703700001801726700002001744700002301764700001601787700002401803700001801827700002701845856012901872 2008 eng d a0897-475600aChemical inhomogeneity and mixed-state ferromagnetism in diluted magnetic semiconductor Co : TiO20 aChemical inhomogeneity and mixedstate ferromagnetism in diluted  a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcFEB a1344-13520 v203 a

Diluted magnetic semiconductors (DMS) are among the most intensely investigated materials in recent times in view of their great application potential. Yet, they are also the most controversial because of the possibility of extrinsic effects attributable to dopant solubility and clustering, point defects, incorporation of unintentional impurities, etc. This has highlighted the central role of materials chemistry in rendering a specific microstate and property response. In this work, we provide a combined window of high-resolution scanning transmission electron microscopy and electron energy-loss spectrometry, X-ray absorption (XAS)/X-ray magnetic circular dichroism (XMCD), and magnetization measurements on epitaxial rutile CoxTi1-xO2 (x = 0-0.06) system (the first discovered oxide-DMS, which continues to be controversial) grown at low temperature (400 degrees C) under different ambient atmospheres. The study brings out a mixed-state scenario of ferromagnetism involving intrinsic DMS (uniform dopant distribution at low dopant concentration) and coupled cluster magnetism, involving cobalt associations within the matrix at higher concentrations. We also show that by matrix valence control during growth, it is possible to realize a uniform embedded cluster state and the related coupled cluster magnetism.

1 aOgale, Satishchandra, B.1 aKundaliya, Darshan1 aMehraeen, Shareghe1 aFu, Lian-feng1 aZhang, Shixiong1 aLussier, Alexandre1 aDvorak, Joe1 aBrowning, Nigel, D.1 aIdzerda, Yves1 aVenkatesan, Thirumalai uhttps://library.ncl.res.in/content/chemical-inhomogeneity-and-mixed-state-ferromagnetism-diluted-magnetic-semiconductor-co-002352nas a2200181 4500008004100000022001400041245015300055210006900208260008500277300001000362490000600372520157500378100002201953700002001975700002501995700002102020856012902041 2008 eng d a1932-620300aDigestive duet: midgut digestive proteinases of manduca sexta ingesting nicotiana attenuata with manipulated trypsin proteinase inhibitor expression0 aDigestive duet midgut digestive proteinases of manduca sexta ing a185 BERRY ST, STE 1300, SAN FRANCISCO, CA 94107 USAbPUBLIC LIBRARY SCIENCEcAPR ae20080 v33 a

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

1 aZavala, Jorge, A.1 aGiri, Ashok, P.1 aJongsma, Maarten, A.1 aBaldwin, Ian, T. uhttps://library.ncl.res.in/content/digestive-duet-midgut-digestive-proteinases-manduca-sexta-ingesting-nicotiana-attenuata-001874nas a2200241 4500008004100000022001400041245010500055210006900160260006900229300001400298490000800312520098800320653002801308653002801336653002301364653002601387100002101413700001901434700001501453700001801468700001801486856012801504 2008 eng d a1385-894700aFeasibility studies and dynamics of catalytic liquid phase esterification reactions in a micro plant0 aFeasibility studies and dynamics of catalytic liquid phase ester aPO BOX 564, 1001 LAUSANNE, SWITZERLANDbELSEVIER SCIENCE SAcJAN aS270-S2750 v1353 a

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

10achromatographic reactor10aheterogeneous catalysis10aintegrated process10amodular micro reactor1 aKulkarni, A., A.1 aZeyer, K., -P.1 aJacobs, T.1 aKaspereit, M.1 aKienle, Achim uhttps://library.ncl.res.in/content/feasibility-studies-and-dynamics-catalytic-liquid-phase-esterification-reactions-micro-000923nas a2200181 4500008004100000245009400041210006900135260000800204300001600212520025700228100002200485700002200507700001700529700002300546700002100569700002400590856012700614 2008 eng d00aMultiple weak supramolecular interactions stabilize a surprisingly twisted As2L3 assembly0 aMultiple weak supramolecular interactions stabilize a surprising cOCT a3936 - 39383 aA combined crystallographic, DFT and NMR spectroscopic study of a flexible As(2)(3) assembly reveals temperature dependent conformational behavior in solution and a highly asymmetric structure stabilized by As-pi and edge-to-face aromatic interactions.1 aPitt, Melanie, A.1 aZakharov, Lev, N.1 aVanka, Kumar1 aThompson, Ward, H.1 aLaird, Brian, B.1 aJohnson, Darren, W. uhttps://library.ncl.res.in/content/multiple-weak-supramolecular-interactions-stabilize-surprisingly-twisted-as2l3-assembly02645nas a2200289 4500008004100000022001400041245018900055210006900244260007300313300001000386490000800396520149100404653003101895653001401926653003601940653004601976653002502022653002402047100001802071700002102089700002702110700002402137700001702161700002402178700002502202856012802227 2008 eng d a0022-286000aVitamin K-3 family members - Part II: Single crystal X-ray structures, temperature-induced packing polymorphism, magneto-structural correlations and probable anti-oncogenic candidature0 aVitamin K3 family members Part II Single crystal Xray structures aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcDEC a74-830 v8923 a

Temperature-induced packing polymorphism is observed for vitamin K-3 (menadione, 3-methyl-1,4-naphthoquinone, 1). Form la crystallizes at 300 K and 1b at 277 K both in the same space group P2(1)/c. Form 1b contains one molecule per asymmetric unit, performing anisotropy in g-factor viz. g(z) = 2.0082, g(y) = 2.0055 and g(x) = 2.0025, whereas form 1a contains two molecules in its asymmetric unit. Vitamin K-3 family members 2, [2-hydroxy vitamin K-3] and 3, [2-hydroxy-1-oximino vitamin K-3] also perform intrinsic neutral active naphthosemiquinone valence tautomers even in dark having spin concentrations due to hydrogen bonding and aromatic stacking interactions which are compared to vitamin K-3. The significant lateral C-H center dot center dot center dot O and O-H center dot center dot center dot pi bifurcated or pi-pi(center dot) interactions are discussed for molecular associations and radical formations. X-ray structure of 3 revealed pi-pi(center dot) stack dimers as radicals signatured in PR as triplet with five hyperfine splits [(A) over bar(N-14) = 11.9 G]. The centrosymmetric biradicals in 3 show diamagnetism at high temperature but below 10 K it shows paramagnetism with mu(eff) as 0.19 B.M. Vitamin K-3 and its family members inhibit biological activities of acid phosphatase (APase), which are proportional to their spin concentrations. This may relate to their probable anti-oncogenic candidature in future. (C) 2008 Elsevier B.V. All rights reserved.

10aAnti-oncogenic candidature10aH-bonding10aMagneto-structural correlations10aNaphthosemiquinones in vitamin K-3 family10aPacking polymorphism10aSpin concentrations1 aRane, Sandhya1 aAhmed, Khursheed1 aSalunke-Gawali, Sunita1 aZaware, Santosh, B.1 aSrinivas, D.1 aGonnade, Rajesh, G.1 aBhadbhade, Mohan, M. uhttps://library.ncl.res.in/content/vitamin-k-3-family-members-part-ii-single-crystal-x-ray-structures-temperature-induced-002074nas a2200385 4500008004100000022001400041245007800055210006900133260006900202300001200271490000700283520086300290653002401153653001501177653001401192653002501206653001501231653001701246653002401263653001601287100002601303700001701329700001801346700002201364700002301386700001901409700002601428700002201454700003401476700001901510700001901529700001701548700001701565856010601582 2009 eng d a1387-287700aChallenges associated with metal chelation therapy in alzheimer's disease0 aChallenges associated with metal chelation therapy in alzheimers aNIEUWE HEMWEG 6B, 1013 BG AMSTERDAM, NETHERLANDSbIOS PRESScJUL a457-4680 v173 a

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

10aAlzheimer's disease10aclioquinol10acuprizone10ametal dishomeostasis10ametal ions10ananomedicine10aParkinson's disease10apolyphenols1 aHegde, Muralidhar, L.1 aBharathi, P.1 aSuram, Anitha1 aVenugopal, Chitra1 aJagannathan, Ramya1 aPoddar, Pankaj1 aSrinivas, Pullabhatla1 aSambamurti, Kumar1 aRao, Kosagisharaf, Jagannatha1 aScancar, Janez1 aMessori, Luigi1 aZecca, Luigi1 aZatta, Paolo uhttps://library.ncl.res.in/content/challenges-associated-metal-chelation-therapy-alzheimers-disease-001337nas a2200253 4500008004100000022001400041245012600055210006900181260007700250300001000327490000700337520040900344100002000753700002900773700001700802700001600819700001300835700001900848700001800867700002300885700002400908700002700932856012400959 2009 eng d a0935-964800aElectronic manifestation of cation-vacancy-induced magnetic moments in a transparent oxide semiconductor: anatase Nb:TiO20 aElectronic manifestation of cationvacancyinduced magnetic moment aBOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANYbWILEY-V C H VERLAG GMBHcJUN a2282+0 v213 a

Nb-doped anatase TiO2 thin films grown by pulsed-laser deposition show Kondo scattering in elctronic-transport measurements, providing evidence for the formation of magnetic moments. The origin of magnetism is attributed to cation (Ti) vacancies, confirmed by X-ray absorption spectroscopy and first-principle calculations. The Ti vacancies are controlled by oxygen partial pressure during growth.

1 aZhang, Shixiong1 aOgale, Satishchandra, B.1 aYu, Weiqiang1 aGao, Xingyu1 aLiu, Tao1 aGhosh, Saurabh1 aDas, Gour, P.1 aWee, Andrew, T. S.1 aGreene, Richard, L.1 aVenkatesan, Thirumalai uhttps://library.ncl.res.in/content/electronic-manifestation-cation-vacancy-induced-magnetic-moments-transparent-oxide-000781nas a2200253 4500008004100000245005900041210005900100260000800159300001400167490000600181100002200187700001700209700001700226700001600243700002100259700002700280700002100307700001600328700002800344700002300372700001900395700002500414856008800439 2009 eng d00aFunctional delivery of siRNA in mice using dendriworms0 aFunctional delivery of siRNA in mice using dendriworms cSEP a2495-25040 v31 aAgrawal, Amit, C.1 aMin, Dal-Hee1 aSingh, Neetu1 aZhu, Haihao1 aBirjiniuk, Alona1 avon Maltzahn, Geoffrey1 aHarris, Todd, J.1 aXing, Deyin1 aWoolfenden, Stephen, D.1 aSharp, Phillip, A.1 aCharest, Alain1 aBhatia, Sangeeta, N. uhttps://library.ncl.res.in/content/functional-delivery-sirna-mice-using-dendriworms02289nas a2200265 4500008004100000022001400041245013500055210006900190260007300259300001200332490000800344520125900352653001801611653003201629653004501661653003001706653001501736653002201751100002401773700002801797700002401825700002101849700002201870856013101892 2009 eng d a0022-286000aMagnetic phase transition in valence tautomers as polymorphs of 3-iodolawsone: Single crystal X-ray structure, DSC and EPR studies0 aMagnetic phase transition in valence tautomers as polymorphs of  aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcDEC a328-3350 v9383 a

Three polymorphs of 3-iodolawsone (I-III) have been isolated and characterized by single crystal X-ray diffraction, electron paramagnetic resonance (EPR) spectroscopy and differential scanning calorimetry (DSC) techniques. Polymorphs I and II were crystallized from methanol in two different valence tautomeric forms: hydroxynaphthoquinone (HNQ) and hydroxynaphthoseimquinone (HNSQ) as needles and thick plates, respectively. Polymorph III was crystallized from ethanol in HNQ form, as thin plates Chiral crystals of I belongs to the orthorhombic P2(1)2(1)2(1) space group: II and III belong to the monochnic non-centrosymmetric space group Cc. The molecules are packed via O-H O bonding and pi . pi stacking interactions. The study reveals that relatively stronger intermolecular H-bonding (2.02 angstrom) and most favoured pi . pi stacking (similar to 3 49 angstrom) interactions lead II to HNSQ radicals, presence of which was confirmed by EPR (g = 2.0052) spectroscopy. Interestingly, these materials exhibit crystal-to-crystal magnetic phase transition from polymorph I (diamagnetic) to polymorph II (paramagnetic structure) at 171.1 degrees C as identified by DSC and X-ray crystallographic studies (C) 2009 Elsevier B.V. All rights reserved

10a3-Iodolawsone10aHydroxynaphthoquinone (HNQ)10aHydroxynaphthosemiquinone radical (HNSQ)10aMagnetic phase transition10aPolymorphs10aValence tautomers1 aZaware, Santosh, B.1 aDagade-Waghmode, Shobha1 aGonnade, Rajesh, G.1 aSrinivas, Darbha1 aRane, Sandhya, Y. uhttps://library.ncl.res.in/content/magnetic-phase-transition-valence-tautomers-polymorphs-3-iodolawsone-single-crystal-x-ray-001718nas a2200301 4500008004100000245002700041210002700068260000800095300001800103490000800121520093500129100002001064700002001084700002101104700002201125700002001147700001501167700001801182700002001200700002001220700001901240700001601259700001901275700002101294700002101315700001801336856006201354 2009 eng d00aPolymeric ladderphanes0 aPolymeric ladderphanes cAUG a12579–125850 v1313 a

A new class of polymers, which have a double-stranded polybinorbornene skeleton with multilayer planar oligoaryl linkers, defined as polymeric ladderphanes, are synthesized. The structures of these ladderphanes are determined by spectroscopic means. Photophysical studies and time-resolved fluorescence spectroscopic investigations reveal that there is a strong interaction between the chromophore linkers. Thus, Soret band splitting in the absorption spectrum of the polymer with porphyrin linker (12e), significant fluorescence quenching with oligoaryl linkers (12b−d), and excimer emission with a terphenylene-diethynylene linker (12a) are characteristic photophysical properties of these polymers. Scanning tunneling microscopy shows that polymers 12b and d exhibit a ladder-like morphology and form a supramolecular assembly leading to a two-dimensional ordered array on a highly oriented pyrolytic graphite surface.

1 aChou, Chih-Ming1 aLee, Shern-Long1 aChen, Chih-Hsien1 aBiju, Akkattu, T.1 aWang, Hsian-Wen1 aWu, Yi-Lin1 aZhang, Guo-Fu1 aYang, Kuang-Wei1 aLim, Tsong-Shin1 aHuang, Min-Jie1 aTsai, Po-Yu1 aLin, Kin-Chuan1 aHuang, Shou-Ling1 aChen, Chun-hsien1 aLuh, Tien-Yau uhttps://library.ncl.res.in/content/polymeric-ladderphanes01255nas a2200169 4500008004100000245009400041210006900135260000800204300002700212490000800239520062800247100001900875700002100894700002100915700002600936856012300962 2009 eng d00aStudy of cumulant approximations to n-electron valence multireference perturbation theory0 aStudy of cumulant approximations to nelectron valence multirefer cMAY aArticle Number: 1941070 v1303 aWe investigate the possibility of reducing the complexity of multireference perturbation theory through cumulant based approximations to the high-order density matrices that appear in such theories. Our test cases show that while the cumulant approximated forms are degraded in accuracy relative to the parent theory and exhibit intruder state problems that must be carefully handled, they may provide a route to a simple estimation of dynamic correlation when the parent perturbation theory is infeasible. Nonetheless, further work is clearly needed on better approximations to the denominators in the perturbation theory.1 aZgid, Dominika1 aGhosh, Debashree1 aNeuscamman, Eric1 aChan, Garnet, Kin-Lic uhttps://library.ncl.res.in/content/study-cumulant-approximations-n-electron-valence-multireference-perturbation-theory01534nas a2200229 4500008004100000022001400041245016000055210006900215260009200284300001200376490000700388520061800395100001801013700002801031700001701059700001901076700002501095700002101120700001501141700002301156856012501179 2010 eng d a1744-309100aCrystallization and preliminary X-ray diffraction analysis of various enzyme-substrate complexes of isopropylmalate dehydrogenase from thermus thermophilus0 aCrystallization and preliminary Xray diffraction analysis of var aCOMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USAbWILEY-BLACKWELL PUBLISHING, INCcJUN a738-7430 v663 a

The Thermus thermophilus 3-isopropylmalate dehydrogenase (Tt-IPMDH) enzyme catalyses the penultimate step of the leucine-biosynthesis pathway. It converts (2R,3S)-3-isopropylmalate to (2S)-2-isopropyl-3-oxosuccinate in the presence of divalent Mg(2+) or Mn(2+) and with the help of NAD(+). In order to elucidate the detailed structural and functional mode of the enzymatic reaction, crystals of Tt-IPMDH were grown in the presence of various combinations of substrate and/or cofactors. Here, the crystallization, data collection and preliminary crystallographic analyses of six such complexes are reported.

1 aMerli, Angelo1 aManikandan, Karuppasamy1 aGraczer, Eva1 aSchuldt, Linda1 aSingh, Rajesh, Kumar1 aZavodszky, Peter1 aVas, Maria1 aWeiss, Manfred, S. uhttps://library.ncl.res.in/content/crystallization-and-preliminary-x-ray-diffraction-analysis-various-enzyme-substrate-002840nas a2200289 4500008004100000022001400041245008900055210006900144260007400213300001200287490000700299520182300306653002202129653003302151653001802184653002802202653003002230653002202260100002302282700002102305700002002326700002202346700002302368700001402391700002502405856012002430 2010 eng d a1380-374300aQTL mapping of multiple foliar disease and root-lesion nematode resistances in wheat0 aQTL mapping of multiple foliar disease and rootlesion nematode r aVAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDSbSPRINGERcJUN a107-1240 v263 a

A genetic linkage map, based on a cross between the synthetic hexaploid CPI133872 and the bread wheat cultivar Janz, was established using 111 F(1)-derived doubled haploid lines. The population was phenotyped in multiple years and/or locations for seven disease resistance traits, namely, Septoria tritici blotch (Mycosphaeralla graminicola), yellow leaf spot also known as tan spot (Pyrenophora tritici-repentis), stripe rust (Puccinia striiformis f. sp. tritici), leaf rust (Puccinia triticina), stem rust (Puccinia graminis f. sp. tritici) and two species of root-lesion nematode (Pratylenchyus thornei and P. neglectus). The DH population was also scored for coleoptile colour and the presence of the seedling leaf rust resistance gene Lr24. Implementation of a multiple-QTL model identified a tightly linked cluster of foliar disease resistance QTL in chromosome 3DL. Major QTL each for resistance to Septoria tritici blotch and yellow leaf spot were contributed by the synthetic hexaploid parent CPI133872 and linked in repulsion with the coincident Lr24/Sr24 locus carried by parent Janz. This is the first report of linked QTL for Septoria tritici blotch and yellow leaf spot contributed by the same parent. Additional QTL for yellow leaf spot were detected in 5AS and 5BL. Consistent QTL for stripe rust resistance were identified in chromosomes 1BL, 4BL and 7DS, with the QTL in 7DS corresponding to the Yr18/Lr34 region. Three major QTL for P. thornei resistance (2BS, 6DS, 6DL) and two for P. neglectus resistance (2BS, 6DS) were detected. The recombinants combining resistance to Septoria tritici blotch, yellow leaf spot, rust diseases and root-lesion nematodes from parents CPI133872 and Janz constitute valuable germplasm for the transfer of multiple disease resistance into new wheat cultivars.

10aPratylenchyus spp10aPyrenophora tritici-repentis10aRust diseases10aSeptoria tritici blotch10aSynthetic hexaploid wheat10aTriticum aestivum1 aZwart, Rebecca, S.1 aThompson, J., P.1 aMilgate, A., W.1 aBansal, Urmil, K.1 aWilliamson, P., M.1 aRaman, H.1 aBariana, Harbans, S. uhttps://library.ncl.res.in/content/qtl-mapping-multiple-foliar-disease-and-root-lesion-nematode-resistances-wheat-002448nas a2200337 4500008004100000022001400041245010600055210006900161260007600230300001200306490000600318520131100324653001301635653001301648653002801661653001301689653002401702100002101726700001801747700001601765700002201781700002101803700001901824700002201843700002701865700002301892700002101915700002301936700002201959856012901981 2010 eng d a1864-563100aRenewable H-2 from glycerol steam reforming: effect of La2O3 and CeO2 addition to Pt/Al2O3 catalysts.0 aRenewable H2 from glycerol steam reforming effect of La2O3 and C aCOMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USAbWILEY-BLACKWELLcMAY a619-6280 v33 a

Glycerol is the main byproduct of biodiesel production and its increased production volume derives from the increasing demand for biofuels. The conversion of glycerol to hydrogen-rich mixtures presents an attractive route towards sustainable biodiesel production. Here we explored the use of Pt/Al2O3-based catalysts for the catalytic steam reforming of glycerol, evidencing the influence of La2O3 and CeO2 doping on the catalyst activity and selectivity. The addition of the latter metal oxides to a Pt/Al2O3 catalyst is found to significantly improve the glycerol steam reforming, with high H-2 and CO2 selectivities. A good catalytic stability is achieved for the Pt/La2O3/Al2O3 system working at 350 degrees C, while the Pt/CeO2/Al2O3 catalyst sharply deactivates after 20 h under similar conditions. Studies carried out on fresh and exhausted catalysts reveal that both systems maintain high surface areas and high Pt dispersions. Therefore, the observed catalyst deactivation can be attributed to coke deposition on the active sites throughout the catalytic process and only marginally to Pt nanoparticle sintering. This work suggests that an appropriate support composition is mandatory for preparing high-performance Pt-based catalysts for the sustainable conversion of glycerol into syngas.

10abiofuels10aGlycerol10aheterogeneous catalysis10aplatinum10asupported catalysts1 aMontini, Tiziano1 aSingh, Rakesh1 aDas, Piyali1 aLorenzut, Barbara1 aBertero, Nicolas1 aRiello, Pietro1 aBenedetti, Alvise1 aGiambastiani, Giuliano1 aBianchini, Claudio1 aZinoviev, Sergey1 aMiertus, Stanislav1 aFornasiero, Paolo uhttps://library.ncl.res.in/content/renewable-h-2-glycerol-steam-reforming-effect-la2o3-and-ceo2-addition-ptal2o3-catalysts-001406nas a2200253 4500008004100000022001400041245010000055210006900155260010600224300001400330490000700344520045900351653002500810653001900835653001100854653002200865653002200887100002200909700002700931700002000958700002500978700002901003856012001032 2010 eng d a0025-540800aSurface texture and specific adsorption sites of sol-gel synthesized anatase TiO2 nanoparticles0 aSurface texture and specific adsorption sites of solgel synthesi aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcOCT a1470-14750 v453 a

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

10aCatalytic properties10aNanostructures10aOxides10aSol-gel chemistry10aX-ray diffraction1 aZaki, Mohamed, I.1 aMekhemer, Gamal, A. H.1 aFouad, Nasr, E.1 aJagadale, Tushar, C.1 aOgale, Satishchandra, B. uhttps://library.ncl.res.in/content/surface-texture-and-specific-adsorption-sites-sol-gel-synthesized-anatase-tio2-002754nas a2200193 4500008004100000022001400041245011400055210006900169260011000238300001400348490000700362520194900369100002402318700002402342700002102366700002102387700002202408856013002430 2011 eng d a1144-054600aAntioxidant and anticancer activities of supramolecularly controlled magnetostructural halo-oximes of lawsone0 aAntioxidant and anticancer activities of supramolecularly contro aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcMAY a1615-16230 v353 a

Crystal engineering based on halogen bonding together with host-guest interactions of water molecules via H-bonding, stabilizing supramolecular architecture in chloro 1, bromo 2 and iodo 3 oximes of lawsone, is discussed. 1 and 2 crystallize in orthorhombic, non-centrosymmetric space group Pna2(1) while 3 crystallizes in monoclinic P2(1)/n space group. Non-covalent competitive interactions of asymmetric solvation and halogen bonding can have a large influence on the spin distribution in 1, 2 and 3 derivatives of spin carrier lawsone live polymer as revealed by single crystal X-ray and EPR studies. The significant C3-Cl/Br center dot center dot center dot O, C3-Cl/Br center dot center dot center dot H, O-H center dot center dot center dot O-C, C-H center dot center dot center dot pi and pi center dot center dot center dot pi interactions have been identified in the molecular assemblies leading to net magnetostructures of halo-oximes. Dimer-of-dimer-type tetrameric radical assembly of 3 and interacting bi- and monoradical chain on 2(1) axis in 1 and 2 have been identified. The proton-coupled electron transfers possibly govern the antioxidant nature in halooximes of spin carrier lawsone in terms of oxygen reduction to water molecules. Such activity is found to be directly proportional to the spin (radical) concentrations in 1 to 3 and increases in order 1 < 2 < 3 according to halogen bonding effect. The antioxidant chemical DPPH assays for scavenging of such free radicals result in similar trend of increasing order like 1 < 2 < 3, but the chemical in vitro as well as ex vivo SOD antioxidant activities and biological anticancer activity on MCF-7, Hela and HL-60 cell lines show the increasing order 3 < 2 < 1 according to H-bonding effect. This probably could be attributed to the conversion of superoxide radical ions into H(2)O(2), which leads to greater oxidative stress leading to apoptosis.

1 aZaware, Santosh, B.1 aGonnade, Rajesh, G.1 aSrinivas, Darbha1 aKhan, Ayesha, A.1 aRane, Sandhya, Y. uhttps://library.ncl.res.in/content/antioxidant-and-anticancer-activities-supramolecularly-controlled-magnetostructural-halo-000817nas a2200205 4500008004100000022001400041245013300055210006900188260009100257300000800348490000800356100001600364700001800380700001800398700002800416700001800444700001800462700001200480856011900492 2011 eng d a1742-464X00aAtomic level description of the domain closure in a dimeric enzyme: thermus thermophilus 3-isopropylmalate dehydrogenase (IPMDH)0 aAtomic level description of the domain closure in a dimeric enzy aCOMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USAbFederat Soc Biochem & Mol BiolcJUN a4580 v2781 aGraczer, E.1 aMerli, Angelo1 aSingh, R., K.1 aKaruppasamy, Manikandan1 aZavodszky, P.1 aWeiss, M., S.1 aVas, M. uhttps://library.ncl.res.in/content/atomic-level-description-domain-closure-dimeric-enzyme-thermus-thermophilus-3-102984nas a2200217 4500008004100000022001400041245012500055210006900180260011000249300001400359490000600373520212100379100001702500700001802517700002502535700002802560700002102588700002302609700001502632856011902647 2011 eng d a1742-206X00aAtomic level description of the domain closure in a dimeric enzyme: thermus thermophilus 3-isopropylmalate dehydrogenase0 aAtomic level description of the domain closure in a dimeric enzy aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcMAR a1646-16590 v73 a

The domain closure associated with the catalytic cycle is described at an atomic level, based on pairwise comparison of the X-ray structures of homodimeric Thermus thermophilus isopropylmalate dehydrogenase (IPMDH), and on their detailed molecular graphical analysis. The structures of the apo-form without substrate and in complex with the divalent metal-ion to 1.8 angstrom resolution, in complexes with both Mn(2+) and 3-isopropylmalate (IPM), as well as with both Mn(2+) and NADH, were determined at resolutions ranging from 2.0 to 2.5 angstrom. Single crystal microspectrophotometric measurements demonstrated the presence of a functionally competent protein conformation in the crystal grown in the presence of Mn(2+) and IPM. Structural comparison of the various complexes clearly revealed the relative movement of the two domains within each subunit and allowed the identification of two hinges at the interdomain region: hinge 1 between alpha d and beta F as well as hinge 2 between alpha h and beta E. A detailed analysis of the atomic contacts of the conserved amino acid side-chains suggests a possible operational mechanism of these molecular hinges upon the action of the substrates. The interactions of the protein with Mn(2+) and IPM are mainly responsible for the domain closure: upon binding into the cleft of the interdomain region, the substrate IPM induces a relative movement of the secondary structural elements beta E, beta F, beta G, alpha d and alpha h. A further special feature of the conformational change is the movement of the loop bearing the amino acid Tyr139 that precedes the interacting arm of the subunit. The tyrosyl ring rotates and moves by at least 5 angstrom upon IPM-binding. Thereby, new hydrophobic interactions are formed above the buried isopropyl-group of IPM. Domain closure is then completed only through subunit interactions: a loop of one subunit that is inserted into the interdomain cavity of the other subunit extends the area with the hydrophobic interactions, providing an example of the cooperativity between interdomain and intersubunit interactions.

1 aGraczer, Eva1 aMerli, Angelo1 aSingh, Rajesh, Kumar1 aKaruppasamy, Manikandan1 aZavodszky, Peter1 aWeiss, Manfred, S.1 aVas, Maria uhttps://library.ncl.res.in/content/atomic-level-description-domain-closure-dimeric-enzyme-thermus-thermophilus-3-202746nas a2200253 4500008004100000022001400041245015000055210006900205260007300274300001200347490000700359520183000366653001302196653001602209653001402225100001802239700001402257700001702271700003202288700001402320700001502334700001302349856013002362 2011 eng d a0928-493100aComposition-structure-property (Zn2+ and Ca2+ ion release) evaluation of Si-Na-Ca-Zn-Ce glasses: potential components for nerve guidance conduits0 aCompositionstructureproperty Zn2 and Ca2 ion release evaluation  aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcAPR a669-6760 v313 a

Bioactive glasses have demonstrated tailored therapeutic ion release, primarily with respect to the augmentation of hard tissues. However, controlled degradation and release of therapeutic ions from biomaterials may also play an important role in soft tissue regeneration such as repair of peripheral nerve discontinuities. In this study, three silica based glasses (0.5SiO(2)-0.2CaO-0.13ZnO-XNa2O-(0.17-X) CeO2) where, (0.04 < X < 0.14) were synthesised and characterised. The local environment of the Si-29 isotope was probed for each glass using Si-29 MAS-NMR, whilst the thermal characteristics of each glass were examined using DTA. Following these analyses, ion release profiles for Ca2+ and Zn2+ were evaluated; an equivalent specific surface area of 1 m(2) of each glass powder was incubated (37 degrees C) in 10 ml of citric acid buffer and TRIS-HCl buffer solution (pH 3.0 and pH 7.4 respectively) for incubation periods of up to 30 days. The Zn2+ concentration of each filtrate was analysed using flame Atomic Absorption Spectroscopy (Varian AA240FS Fast Sequential AAS) and the Ca2+ concentration of each filtrate was determined using Inductively Coupled Plasma-Mass Spectrometer (Varian 820 ICP-MS). Results obtained from the Si-29 MAS-NMR spectra indicated Q(2) structures pervading the network. An analytical model was proposed to analyse the ion release profiles for each glass, and indicated heterogeneous dissolution of glass networks. The ion release data demonstrates that ion release in the range (19.26-3130 ppm) for Ca2+ and in the range (5.97-4904 ppm) for Zn2+ occurred. Release of such elements, at appropriate levels, from peripheral nerve guidance conduits may be advantageous with respect to the repair of peripheral nerve discontinuities. (C) 2011 Elsevier B.V. All rights reserved.

10aBioglass10aDissolution10aModelling1 aZhang, X., F.1 aKehoe, S.1 aAdhi, S., K.1 aAjithkumar, Thalasseril, G.1 aMoane, S.1 aO'Shea, H.1 aBoyd, D. uhttps://library.ncl.res.in/content/composition-structure-property-zn2-and-ca2-ion-release-evaluation-si-na-ca-zn-ce-glasses-001850nas a2200181 4500008004100000245013700041210006900178260000800247300001400255490000600269520115100275100002501426700002801451700001601479700002501495700002001520856012801540 2011 eng d00aEfficient hydrogenation of organic carbonates, carbamates, and formates indicates alternative routes to methanol based on CO2 and CO0 aEfficient hydrogenation of organic carbonates carbamates and for cJUL a609–6140 v33 a

Catalytic hydrogenation of organic carbonates, carbamates and formates is of significant interest both conceptually and practically, because these compounds can be produced from CO2 and CO, and their mild hydrogenation can provide alternative, mild approaches to the indirect hydrogenation of CO2 and CO to methanol, an important fuel and synthetic building block. Here, we report for the first time catalytic hydrogenation of organic carbonates to alcohols, and carbamates to alcohols and amines. Unprecedented homogeneously catalysed hydrogenation of organic formates to methanol has also been accomplished. The reactions are efficiently catalysed by dearomatized PNN Ru(II) pincer complexes derived from pyridine- and bipyridine-based tridentate ligands. These atom-economical reactions proceed under neutral, homogeneous conditions, at mild temperatures and under mild hydrogen pressures, and can operate in the absence of solvent with no generation of waste, representing the ultimate ‘green’ reactions. A possible mechanism involves metal–ligand cooperation by aromatization–dearomatization of the heteroaromatic pincer core.

1 aBalaraman, Ekambaram1 aGunanathan, Chidambaram1 aZhang, Jing1 aShimon, Linda, J. W.1 aMilstein, David uhttps://library.ncl.res.in/content/efficient-hydrogenation-organic-carbonates-carbamates-and-formates-indicates-alternative02558nas a2200169 4500008004100000245018200041210006900223260000800292300001600300490000700316520185500323100001602178700002502194700002002219700002002239856012902259 2011 eng d00aElectron-rich PNP- and PNN-type Ru(II) hydrido-borohydride complexes. synthesis, structure and catalytic activity towards dehydrogenation of alcohols and hydrogenation of esters0 aElectronrich PNP and PNNtype RuII hydridoborohydride complexes s cOCT a5716–57240 v303 a

Electron-rich PNP- and PNN-type ruthenium(II) hydrido borohydride pincer complexes, [RuH(BH4)(tBu-PNP)] (tBu-PNP = (2,6-bis(di-tert-butylphosphinomethyl)pyridine) (5) and [RuH(BH4)(tBu-PNN)] (tBu-PNN = 2-di-tert-butylphosphinomethyl-6-diethylaminomethylpyridine) (6), were prepared from their corresponding N2-bridged dinuclear Ru(II) complexes [(tBu-PNP)RuCl2]2(μ-N2) (3) and [(tBu-PNN)RuCl2]2(μ-N2) (4), respectively. The X-ray structure of 5 reveals a BH4– anion η2 coordinated to ruthenium through two bridging hydrides. A variable-temperature 1H NMR study of 6 exhibits interesting fluxional behavior of the BH4– ligand. Similarly, the Ru(II) hydrido borohydride complex 9, in which the BH4– moiety is coordinated in a η1 bonding mode, was obtained by reaction of [RuCl2(PPh3)(iPr-PNP)] (iPr-PNP = 2,6-bis(diisopropylphosphinomethyl)pyridine) (8) with two equivalents of NaBH4 at room temperature. The hydrido borohydride pincer complexes 5, 6, and 9 catalyze the acceptorless dehydrogenative coupling of primary alcohols to esters and the dehydrogenation of secondary alcohols to the corresponding ketones, accompanied by evolution of hydrogen gas. The reactivity follows the order 6 > 9 > 5. With the hydrido borohydride complex 6 as catalyst, high yields (up to 98%) and high turnover numbers (TON ∼1000) were obtained in the dehydrogenation of primary alcohols under mild and neutral conditions. In addition, 6 effectively catalyzes the hydrogenation of nonactivated aromatic and aliphatic esters to the corresponding alcohols with TON ∼200 under a relatively mild pressure of dihydrogen and neutral and homogeneous conditions. Thus, an efficient homogeneous catalytic system for the dehydrogenation–hydrogenation reactions of alcohols is developed, which is relevant to the current interest in hydrogen storage.

1 aZhang, Jing1 aBalaraman, Ekambaram1 aLeitus, Gregory1 aMilstein, David uhttps://library.ncl.res.in/content/electron-rich-pnp-and-pnn-type-ruii-hydrido-borohydride-complexes-synthesis-structure-and01942nas a2200253 4500008004100000022001400041245008500055210006900140260007300209300001200282490000800294520100000302653005101302653001701353653003101370653002601401653002001427100002201447700002001469700002701489700002501516700002901541856011801570 2011 eng d a0927-775700aTiO2 nanoparticle size dependence of porosity, adsorption and catalytic activity0 aTiO2 nanoparticle size dependence of porosity adsorption and cat aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcJUN a195-2000 v3853 a

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

10aCatalytic methylbutynol decomposition activity10aNano-titania10aParticle size dependencies10aPyridine sorptiometry10aSurface texture1 aZaki, Mohamed, I.1 aFouad, Nasr, E.1 aMekhemer, Gamal, A. H.1 aJagadale, Tushar, C.1 aOgale, Satishchandra, B. uhttps://library.ncl.res.in/content/tio2-nanoparticle-size-dependence-porosity-adsorption-and-catalytic-activity-002105nas a2200253 4500008004100000022001400041245016500055210006900220260009900289300001400388490000800402520111200410653000901522653001801531653002901549653001301578653002001591100002101611700002401632700002101656700002401677700002201701856012801723 2012 eng d a0308-814600aDiscovering bisdemethoxycurcumin from curcuma longa rhizome as a potent small molecule inhibitor of human pancreatic alpha-amylase, a target for type-2 diabetes0 aDiscovering bisdemethoxycurcumin from curcuma longa rhizome as a aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLANDbELSEVIER SCI LTDcDEC a2638-26420 v1353 a

Curcuma longa rhizome is used extensively in culinary preparations in Far East and South-East Asia. Health benefits of curcuminoids from C. longa as antioxidants, anti-cancer and anti-inflammatory molecules have been well documented. We report here for the first time that Bisdemethoxycurcumin (BDMC) from C. longa, acts as an inhibitor to inactivate human pancreatic alpha-amylase, a therapeutic target for oral hypoglycemic agents in type-2 diabetes. Bioactivity guided isolation of rhizome isopropanol extract led to the identification by HPLC and NMR of BDMC as a lead small molecule inhibitor of porcine and human pancreatic alpha-amylase with an IC50 value of 0.026 and 0.025 mM, respectively. Kinetic analysis revealed that using starch as the substrate, HPA exhibited an uncompetitive mode of inhibition with an apparent K-i of 3.0 mu M. The study gains importance as BDMC could be a good drug candidate in development of new inhibitors of HPA and of functional foods for controlling starch digestion in order to reduce post-prandial hyperglycemia. (C) 2012 Elsevier Ltd. All rights reserved.

10aBDMC10aCurcuma longa10aHuman pancreatic amylase10akinetics10aType-2 diabetes1 aPonnusamy, Sudha1 aZinjarde, Smita, S.1 aBhargava, Shobha1 aRajamohanan, P., R.1 aRaviKumar, Ameeta uhttps://library.ncl.res.in/content/discovering-bisdemethoxycurcumin-curcuma-longa-rhizome-potent-small-molecule-inhibitor-002198nas a2200265 4500008004100000022001400041245012100055210006900176260011000245300001400355490000600369520120900375100001401584700001701598700002101615700002101636700001801657700001501675700002101690700002801711700002201739700001701761700002201778856013201800 2012 eng d a2044-475300aElectrostatic grafting of a triphenylphosphine sulfonate on SBA-15: application in palladium catalyzed hydrogenation0 aElectrostatic grafting of a triphenylphosphine sulfonate on SBA1 aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcFEB a1188-11950 v23 a

A novel strategy for the immobilization of a sulfonate functionalized triphenylphosphine ligand by ion-ion interactions on an imidazolium modified SBA-15 is presented. A support containing electrostatically grafted triphenylphosphine as the ligand was reacted with PdCl2( CNPh)(2) and the resulting hybrid material catalyzed olefin hydrogenation under mild conditions. The catalyst exhibits excellent activity, selectivity and stability and it can be reused for at least ten times without any loss of activity. An analogous but covalently grafted palladium system does not show any hydrogenation activity under the same conditions. TEM images of the used catalyst clearly prove the absence of palladium nanoparticles. Additionally, XPS investigations prove that palladium( 0) is formed and the phosphine is oxidized. By AAS no palladium contamination down to 0.5 X 10(-4) mmol could be detected in the products and further leaching tests verified the reaction to be truly heterogeneous. This concept of non-covalent immobilization guarantees a tight bonding of the catalytically active species to the surface in combination with a high mobility, which should be favorable for other catalyses, too.

1 aWang, Lei1 aDehe, Daniel1 aPhilippi, Thomas1 aSeifert, Andreas1 aErnst, Stefan1 aZhou, Zhou1 aHartmann, Martin1 aTaylor, Robin, N. Klupp1 aSingh, Anand, Pal1 aJia, Mingjun1 aThiel, Werner, R. uhttps://library.ncl.res.in/content/electrostatic-grafting-triphenylphosphine-sulfonate-sba-15-application-palladium-catalyzed-002326nas a2200277 4500008004100000022001400041245011600055210006900171260010600240300001400346490000700360520125500367653002201622653002701644653002401671653002701695653002901722100002001751700002101771700002601792700002201818700002601840700002401866700002601890856013201916 2012 eng d a0960-894X00aHybrid molecules of carvacrol and benzoyl urea/thiourea with potential applications in agriculture and medicine0 aHybrid molecules of carvacrol and benzoyl ureathiourea with pote aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcSEP a5550-55540 v223 a

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

10aAntifungal agents10aBenzoyl carvacryl urea10aBenzoyl phenyl urea10aCrop protection agents10aInsect growth regulators1 aPete, Umesh, D.1 aZade, Chetan, M.1 aBhosale, Jitendra, D.1 aTupe, Santosh, G.1 aChaudhary, Preeti, M.1 aDikundwar, Amol, G.1 aBendre, Ratnamala, S. uhttps://library.ncl.res.in/content/hybrid-molecules-carvacrol-and-benzoyl-ureathiourea-potential-applications-agriculture-and-002581nas a2200241 4500008004100000022001400041245014000055210006900195260007400264300001200338490000800350520166100358653002202019653002302041653001602064653002602080653002202106653001902128100002302147700002302170700001802193856012802211 2012 eng d a0014-233600aInheritance of resistance to root-lesion nematodes (Pratylenchus thornei and P. neglectus) in five doubled-haploid populations of wheat0 aInheritance of resistance to rootlesion nematodes Pratylenchus t aVAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDSbSPRINGERcNOV a209-2190 v1883 a

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

10aAegilops tauschii10aDisease resistance10aDurum wheat10aGermplasm development10aTriticum aestivum10aWheat breeding1 aThompson, John, P.1 aZwart, Rebecca, S.1 aButler, David uhttps://library.ncl.res.in/content/inheritance-resistance-root-lesion-nematodes-pratylenchus-thornei-and-p-neglectus-five-002695nas a2200265 4500008004100000022001400041245011400055210006900169260007400238300001400312490000700326520177900333653002302112653001202135653001402147653000902161653001002170100002202180700002302202700002102225700001802246700001702264700002502281856012302306 2012 eng d a1380-374300aMicrosatellite mapping identifies TTKST-effective stem rust resistance gene in wheat cultivars VL404 and Janz0 aMicrosatellite mapping identifies TTKSTeffective stem rust resis aVAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDSbSPRINGERcDEC a1757-17650 v303 a

Wheat cultivar VL404 carries seedling resistance to Puccinia graminis f. sp. tritici pathotype TTKST. Monogenic segregation for seedling resistance was observed in a VL404/WL711 recombinant inbred line population and the resistance locus was temporarily designated SrVL. Bulked segregant analysis using Diversity Arrays Technology markers located SrVL on chromosome 2BL. Detailed simple sequence repeat mapping placed SrVL between gwm120 and wmc175, both at genetic distances of 3.3 cM. Based on adult plant responses of Janz and VL404 in India and Kenya, we expected these cultivars to carry the same gene against TTKST. A subset of Diamondbird/Janz doubled haploid (DH) population showed monogenic segregation, when tested against TTKST and the locus was temporarily named SrJNZ. SrVL-linked markers gwm120 and wmc175 flanked SrJNZ at a similar genetic distance, thereby confirming our hypothesis. Chromosome 2BL carries Sr9, Sr16 and Sr28. Sr9 is a multi-allelic locus and all known alleles of Sr9 and Sr16 are ineffective against TTKSK and its derivatives. A recombination value of 16.7 cM between Sr9g-linked stripe rust resistance gene Yr7 and SrJNZ in Diamondbird/Janz DH population suggested that SrJNZ is not an allele at the Sr9 locus. Based on comparison of published genetic distances between Lr13, Sr9, Sr28 and Sr16 with that observed in this study, we concluded SrVL and SrJNZ to be Sr28. This gene was contributed by a common parent Gabo, which also exhibited resistance against TTKST. Sr28-linked markers gwm120 and wmc175 confirmed the presence of this gene in a high proportion of Australian cultivars that showed stem rust resistance in Kenya. These markers can be used for marker-assisted pyramiding of Sr28 with other stem rust resistance genes.

10aDisease resistance10aMarkers10aStem rust10aUg9910aWheat1 aBansal, Urmil, K.1 aZwart, Rebecca, S.1 aBhavani, Sridhar1 aWanyera, Ruth1 aGupta, Vidya1 aBariana, Harbans, S. uhttps://library.ncl.res.in/content/microsatellite-mapping-identifies-ttkst-effective-stem-rust-resistance-gene-wheat-001874nas a2200157 4500008004100000245013500041210006900176260000800245520121900253100002001472700002501492700002801517700002801545700001601573856012701589 2012 eng d00aNovel ruthenium complexes and their uses in processes for formation and/or hydrogenation of esters, amides and derivatives thereof0 aNovel ruthenium complexes and their uses in processes for format cOCT3 a

The present invention relates to novel Ruthenium complexes and related borohydride complexes, and their use for (1) hydrogenation of amides (including polyamides) to alcohols and amines; (2) preparing amides from alcohols with amines (including preparing polyamides (e.g., polypeptides) by reacting dialcohols and diamines or by polymerization of amino alcohols); (3) hydrogenation of esters to alcohols (including hydrogenation of cyclic esters (lactones), cyclic di-esters (di-lactones) or polyesters); (4) hydrogenation of organic carbonates (including polycarbonates) to alcohols and of carbamates (including polycarbamates) or urea derivatives to alcohols and amines; (5) dehydrogenative coupling of alcohols to esters; (6) hydrogenation of secondary alcohols to ketones; (7) amidation of esters (synthesis of amides from esters and amines); (8) acylation of alcohols using esters; (9) coupling of alcohols with water to form carboxylic acids; and (10) dehydrogenation of beta-amino alcohols to form pyrazines. The present invention further relates to novel uses of certain pyridine Ruthenium complexes.

1 aMilstein, David1 aBalaraman, Ekambaram1 aGunanathan, Chidambaram1 aGnanaprakasam, Boopathy1 aZhang, Jing uhttps://library.ncl.res.in/content/novel-ruthenium-complexes-and-their-uses-processes-formation-andor-hydrogenation-esters03256nas a2200685 4500008004100000022001400041245005700055210005200112260007100164300001400235490000700249520122200256100002801478700002001506700002301526700001901549700002401568700003001592700002501622700002401647700001801671700002501689700002501714700002101739700002701760700001701787700002501804700002101829700002001850700001801870700001801888700001901906700002201925700002101947700002301968700001601991700002502007700001902032700001702051700002802068700002202096700002102118700002002139700001502159700001802174700001602192700002302208700002402231700002002255700002502275700002602300700002302326700001902349700002202368700002502390700002302415700002102438700002702459856008402486 2012 eng d a1528-748300aPolymorphs, salts, and cocrystals: what's in a name?0 aPolymorphs salts and cocrystals whats in a name a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcMAY a2147-21520 v123 a

The December 2011 release of a draft United States Food and Drug Administration (FDA) guidance concerning regulatory classification of pharmaceutical cocrystals of active pharmaceutical ingredients (APIs) addressed two matters of topical interest to the crystal engineering and pharmaceutical science communities: (1) a proposed definition of cocrystals; (2) a proposed classification of pharmaceutical cocrystals as dissociable ``API-excipient'' molecular complexes. The Indo U.S. Bilateral Meeting sponsored by the Indo-U.S. Science and Technology Forum titled The Evolving Role of Solid State Chemistry in Pharmaceutical Science was held in Manesar near Delhi, India, from February 2-4, 2012. A session of the meeting was devoted to discussion of the FDA guidance draft. The debate generated strong consensus on the need to define cocrystals more broadly and to classify them like salts. It was also concluded that the diversity of API crystal forms makes it difficult to classify solid forms into three categories that are mutually exclusive. This perspective summarizes the discussion in the Indo-U.S. Bilateral Meeting and includes contributions from researchers who were not participants in the meeting.

1 aAitipamula, Srinivasulu1 aBanerjee, Rahul1 aBansal, Arvind, K.1 aBiradha, Kumar1 aCheney, Miranda, L.1 aChoudhury, Angshuman, Roy1 aDesiraju, Gautam, R.1 aDikundwar, Amol, G.1 aDubey, Ritesh1 aDuggirala, Nagakiran1 aGhogale, Preetam, P.1 aGhosh, Soumyajit1 aGoswami, Pramod, Kumar1 aGoud, Rajesh1 aJetti, Ram, R. K. R.1 aKarpinski, Piotr1 aKaushik, Poonam1 aKumar, Dinesh1 aKumar, Vineet1 aMoulton, Brian1 aMukherjee, Arijit1 aMukherjee, Gargi1 aMyerson, Allan, S.1 aPuri, Vibha1 aRamanan, Arunachalam1 aRajamannar, T.1 aReddy, Malla1 aRodriguez-Hornedo, Nair1 aRogers, Robin, D.1 aRow, T., N. Guru1 aSanphui, Palash1 aShan, Ning1 aShete, Ganesh1 aSingh, Amit1 aSun, Changquan, C.1 aSwift, Jennifer, A.1 aThaimattam, Ram1 aThakur, Tejender, S.1 aThaper, Rajesh, Kumar1 aThomas, Sajesh, P.1 aTothadi, Srinu1 aVangala, Venu, R.1 aVariankaval, Narayan1 aVishweshwar, Peddy1 aWeyna, David, R.1 aZaworotko, Michael, J. uhttps://library.ncl.res.in/content/polymorphs-salts-and-cocrystals-whats-name-002045nas a2200661 4500008004100000022001400041245008000055210006900135260007100204300001400275490000700289100002800296700002000324700002300344700001900367700002400386700003000410700002500440700002400465700001800489700002500507700002500532700002100557700002700578700001700605700002500622700002100647700002000668700001800688700001800706700001900724700002200743700002100765700002300786700001600809700002500825700001900850700001700869700002800886700002200914700002100936700002000957700001500977700001800992700001601010700002301026700002401049700002001073700002501093700002601118700002301144700001901167700002201186700002301208700002101231700002701252856010401279 2012 eng d a1528-748300aPolymorphs, salts and cocrystals: what's in a name? (vol 12, pg 2147, 2012)0 aPolymorphs salts and cocrystals whats in a name vol 12 pg 2147 2 a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcAUG a4290-42910 v121 aAitipamula, Srinivasulu1 aBanerjee, Rahul1 aBansal, Arvind, K.1 aBiradha, Kumar1 aCheney, Miranda, L.1 aChoudhury, Angshuman, Roy1 aDesiraju, Gautam, R.1 aDikundwar, Amol, G.1 aDubey, Ritesh1 aDuggirala, Nagakiran1 aGhogale, Preetam, P.1 aGhosh, Soumyajit1 aGoswami, Pramod, Kumar1 aGoud, Rajesh1 aJetti, Ram, R. K. R.1 aKarpinski, Piotr1 aKaushik, Poonam1 aKumar, Dinesh1 aKumar, Vineet1 aMoulton, Brian1 aMukherjee, Arijit1 aMukherjee, Gargi1 aMyerson, Allan, S.1 aPuri, Vibha1 aRamanan, Arunachalam1 aRajamannar, T.1 aReddy, Malla1 aRodriguez-Hornedo, Nair1 aRogers, Robin, D.1 aRow, T., N. Guru1 aSanphui, Palash1 aShan, Ning1 aShete, Ganesh1 aSingh, Amit1 aSun, Changquan, C.1 aSwift, Jennifer, A.1 aThaimattam, Ram1 aThakur, Tejender, S.1 aThaper, Rajesh, Kumar1 aThomas, Sajesh, P.1 aTothadi, Srinu1 aVangala, Venu, R.1 aVishweshwar, Peddy1 aWeyna, David, R.1 aZaworotko, Michael, J. uhttps://library.ncl.res.in/content/polymorphs-salts-and-cocrystals-whats-name-vol-12-pg-2147-2012-002107nas a2200301 4500008004100000022001400041245009200055210006900147260007900216300001000295490000700305520106700312653000801379653001301387653002101400653001601421653003401437100002401471700002101495700002501516700002401541700002601565700002201591700002601613700002001639700002501659856012101684 2012 eng d a1073-608500aProteomic analysis of glycated proteins from streptozotocin-induced diabetic rat kidney0 aProteomic analysis of glycated proteins from streptozotocininduc a999 RIVERVIEW DRIVE SUITE 208, TOTOWA, NJ 07512 USAbHUMANA PRESS INCcJAN a28-380 v503 a

Glycation of proteins leading to formation of advanced glycation end products (AGEs) has been considered as one of the important causes of diabetic nephropathy. Therefore, in this study, glycated proteins were detected by anti-AGE antibodies from kidney of streptozotocin-induced diabetic rat showing nephropathic symptoms, by using two dimensional electrophoresis and western blot analysis. These glycated proteins were identified and characterized by using combination of peptide mass finger printing and tandem mass spectrometric approaches. Glycated proteins identified included proteins from metabolic pathways, oxidative stress, cell signaling, and transport. Several of the proteins modified by glycation were involved in glucose metabolism. The extent of glycation was higher in diabetes compared to control, in the glycated proteins that were common to both control and diabetic kidney. Two dimensional electrophoresis proteins profiling of glycated proteins suggest that four of the glycated proteins were significantly up regulated in diabetes.

10aAGE10aDiabetes10aGlucose toxicity10aNephropathy10aPost-translation modification1 aChougale, Ashok, D.1 aBhat, Shweta, P.1 aBhujbal, Swapnil, V.1 aZambare, Mandar, R.1 aPuntambekar, Shraddha1 aSomani, Rahul, S.1 aBoppana, Ramanamurthy1 aGiri, Ashok, P.1 aKulkarni, Mahesh, J. uhttps://library.ncl.res.in/content/proteomic-analysis-glycated-proteins-streptozotocin-induced-diabetic-rat-kidney-002329nas a2200301 4500008004100000022001400041245003300055210003200088260008000120300001400200490000800214520144900222653001401671653002501685653001901710653002301729653002001752100001801772700001601790700001701806700002001823700003201843700002101875700002401896700001701920700002001937856007001957 2012 eng d a0027-842400aRapid self-healing hydrogels0 aRapid selfhealing hydrogels a2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USAbNATL ACAD SCIENCEScMAR a4383-43880 v1093 a

Synthetic materials that are capable of autonomous healing upon damage are being developed at a rapid pace because of their many potential applications. Despite these advancements, achieving self-healing in permanently cross-linked hydrogels has remained elusive because of the presence of water and irreversible cross-links. Here, we demonstrate that permanently cross-linked hydrogels can be engineered to exhibit self-healing in an aqueous environment. We achieve this feature by arming the hydrogel network with flexible-pendant side chains carrying an optimal balance of hydrophilic and hydrophobic moieties that allows the side chains to mediate hydrogen bonds across the hydrogel interfaces with minimal steric hindrance and hydrophobic collapse. The self-healing reported here is rapid, occurring within seconds of the insertion of a crack into the hydrogel or juxtaposition of two separate hydrogel pieces. The healing is reversible and can be switched on and off via changes in pH, allowing external control over the healing process. Moreover, the hydrogels can sustain multiple cycles of healing and separation without compromising their mechanical properties and healing kinetics. Beyond revealing how secondary interactions could be harnessed to introduce new functions to chemically crosslinked polymeric systems, we also demonstrate various potential applications of such easy-to-synthesize, smart, self-healing hydrogels.

10aadhesives10abiomimetic materials10aHydrophobicity10amolecular dynamics10asmart materials1 aPhadke, Ameya1 aZhang, Chao1 aArman, Bedri1 aHsu, Cheng-Chih1 aMashelkar, Raghunath, Anant1 aLele, Ashish, K.1 aTauber, Michael, J.1 aArya, Gaurav1 aVarghese, Shyni uhttps://library.ncl.res.in/content/rapid-self-healing-hydrogels-001665nas a2200217 4500008004100000022001400041245011800055210006900173260011000242300001200352490000700364520079600371100002501167700002101192700001701213700002501230700001801255700002701273700002201300856012501322 2012 eng d a0959-942800aTuning spectral properties of phenothiazine based donor-pi-acceptor dyes for efficient dye-sensitized solar cells0 aTuning spectral properties of phenothiazine based donorpiaccepto aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcNOV a889-8940 v223 a

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

1 aMarszalek, Magdalena1 aNagane, Satyawan1 aIchake, Amol1 aHumphry-Baker, Robin1 aPaul, Vincent1 aZakeeruddin, Shaik, M.1 aGraetzel, Michael uhttps://library.ncl.res.in/content/tuning-spectral-properties-phenothiazine-based-donor-pi-acceptor-dyes-efficient-dye-001646nas a2200169 4500008004100000245011600041210006900157260000800226520097300234100002001207700002801227700002401255700002501279700002801304700001601332856012801348 2012 eng d00aUse of ruthenium complexes for formation and/or hydrogenation of amides and related carboxylic acid derivatives0 aUse of ruthenium complexes for formation andor hydrogenation of  cMAR3 a

A process for preparing amides by reacting a primary amine and a primary alcohol in the presence of a Ruthenium complex to generate the amide and molecular hydrogen. Primary amines are directly acylated by equimolar amounts of alcohols to produce amides and molecular hydrogen (the only byproduct) in high yields and high turnover numbers. Also disclosed are processes for hydrogenation of amides to alcohols and amines; hydrogenation of organic carbonates to alcohols; hydrogenation of carbamates or urea derivatives to alcohols and amines; amidation of esters; acylation of alcohols using esters; coupling of alcohols with water and a base to form carboxylic acids; dehydrogenation of beta-amino alcohols to form pyrazines and cyclic dipeptides; and dehydrogenation of secondary alcohols to ketones. These reactions are catalyzed by a Ruthenium complex which is based on a dearomatized PNN-type ligand of formula A1 or precursors thereof of formulae A2 or A3.

1 aMilstein, David1 aGunanathan, Chidambaram1 aBen-David, Yehoshoa1 aBalaraman, Ekambaram1 aGnanaprakasam, Boopathy1 aZhang, Jing uhttps://library.ncl.res.in/content/use-ruthenium-complexes-formation-andor-hydrogenation-amides-and-related-carboxylic-acid01799nas a2200229 4500008004100000022001400041245009000055210006900145260005700214300001200271490000700283520098800290100002401278700002401302700002001326700002101346700001601367700002401383700002601407700002101433856011501454 2013 eng d a0343-865100aAlishewanella solinquinati sp nov., isolated from soil contaminated with textile dyes0 aAlishewanella solinquinati sp nov isolated from soil contaminate a233 SPRING ST, NEW YORK, NY 10013 USAbSPRINGERcOCT a454-4590 v673 a

A novel Gram-negative, motile, rod-shaped, facultative anaerobic bacterial strain, KMK6(T), was isolated from soil contaminated with textile dyes from an industrial estate located at Ichalkaranji, Maharashtra, India, and its taxonomical position was established by using a polyphasic approach. The major cellular fatty acids included C-17:1 omega 8c, summed feature 3 (C-16:1 omega 7c and/or iso-C-15:0 2-OH), C-17:0, C-16:0,C- and C-18:1 omega 7c. The DNA G+C content of strain KMK6(T) was 48.8 mol %. 16S rRNA gene sequence analysis confirmed its placement in the genus Alishewanella, and exhibited sequence similarity levels of below 97 % to the type strains of validly published Alishewanella species. On the basis of genotypic and phenotypic evidence, strains KMK6(T) is considered to be a novel species of the genus Alishewanella, for which we propose that strain KMK6(T) (=NCIM 5295(T) =BCRC 17848(T)) is assigned to a novel species, Alishewanella solinquinati sp. nov.

1 aKolekar, Yogesh, M.1 aPawar, Shrikant, P.1 aAdav, Sunil, S.1 aZheng, Liu-Qiang1 aLi, Wen-Jun1 aShouche, Yogesh, S.1 aDastager, Syed, Gulam1 aKodam, Kisan, M. uhttps://library.ncl.res.in/content/alishewanella-solinquinati-sp-nov-isolated-soil-contaminated-textile-dyes-001943nas a2200253 4500008004100000022001400041245009700055210006900152260007300221300001000294490000700304520104600311653001901357653002201376653002201398653003601420653001001456100001501466700002101481700002701502700002001529700002401549856011601573 2013 eng d a1566-736700aCatalytic activity of ZIF-8 in the synthesis of styrene carbonate from CO2 and styrene oxide0 aCatalytic activity of ZIF8 in the synthesis of styrene carbonate aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcFEB a36-400 v323 a

The catalytic activity of ZIF-8 in the synthesis of styrene carbonate from carbon dioxide and styrene oxide is presented. ZIF-8 crystals displayed catalytic activity even at temperatures as low as 50 degrees C, with styrene carbonate yields as high as similar to 54% at 100 degrees C. In contrast to many prior-art catalysts, solvents or co-catalysts were not required. Pyridine and ammonia were used as probe molecules to estimate the type and density of acid sites in fresh and reused ZIF-8 catalysts. DRIFT spectroscopy of adsorbed pyridine revealed the presence of both Bronsted (B) and Lewis (L) acid sites. The B-sites have nearly vanished in the case of recycled ZIF-8 catalysts. The simultaneous presence of both the acid sites and the nitrogen basic moieties from the imidazole linker in ZIF-8 promoted the adsorption of the CO2 on the solid surface and its further conversion to the cyclic carbonate. The ZIF-8 catalysts could be recycled and reused without significant loss in catalytic activity. Published by Elsevier B.V.

10aCO2 conversion10acyclic carbonates10aStyrene carbonate10aZeolitic imidazolate frameworks10aZIF-81 aZhu, Minqi1 aSrinivas, Darbha1 aBhogeswararao, Seemala1 aRatnasamy, Paul1 aCarreon, Moises, A. uhttps://library.ncl.res.in/content/catalytic-activity-zif-8-synthesis-styrene-carbonate-co2-and-styrene-oxide-001988nas a2200217 4500008004100000022001400041245011300055210006900168260011000237300001400347490000600361520112000367100002501487700002101512700001701533700002501550700001801575700002701593700002101620856012901641 2013 eng d a2046-206900aStructural variations of D-pi-A dyes influence on the photovoltaic performance of dye-sensitized solar cells0 aStructural variations of DpiA dyes influence on the photovoltaic aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcMAR a7921-79270 v33 a

Two new organic D-pi-A dyes containing identical pi-conjugated spacer and anchoring/acceptor moieties but different donor groups were designed and synthesized. These dyes containing didodecylcyclopentadithiophene (CPDT) as a spacer, cyanoacrylic acid as an acceptor and N-butyl-carbazole or N-butyl-phenothiazine moieties as electron donor groups are labelled as V4 and V11 dyes, respectively. The variation in the donor group of these two dyes, that influences the photophysical, electrochemical and photovoltaic parameters, was investigated. The highest photovoltaic conversion efficiency of 7.5% was obtained with V4 dye at AM 1.5 G full sunlight intensity (100 mWcm(-2)). Comparison of phenothiazine donor dyes with two different pi-conjugated spacers, CPDT (V11) and vinyl thiophene (V7) containing devices shows that the V-oc of V7 dye is lower than that of V11 due to the downward shift of the conduction band edge. Transient photovoltage and electrochemical impedance spectroscopy measurements were performed to explain the differences in the PV parameters by varying the donors and/or spacer groups.

1 aMarszalek, Magdalena1 aNagane, Satyawan1 aIchake, Amol1 aHumphry-Baker, Robin1 aPaul, Vincent1 aZakeeruddin, Shaik, M.1 aGratzel, Michael uhttps://library.ncl.res.in/content/structural-variations-d-pi-dyes-influence-photovoltaic-performance-dye-sensitized-solar-001147nas a2200193 4500008004100000022001400041245010100055210006900156260011000225300001400335490000600349520035800355100002500713700001800738700002800756700003000784700001800814856012100832 2013 eng d a2044-475300aSynthesis and catalytic activity of monodisperse gold-mesoporous silica core-shell nanocatalysts0 aSynthesis and catalytic activity of monodisperse goldmesoporous  aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcFEB a1190-11930 v33 a

Core-shell nanostructures, where gold nanoparticles of sub 10 nm size are successfully encapsulated inside porous silica spheres, have been prepared. The detailed characterization of the catalyst shows a high surface area and good mesoporosity. The sinter resistance of the catalyst under repeated cycles of the CO oxidation reaction is observed.

1 aSekhar, A., C. Sunil1 aMeera, C., J.1 aZiyad, Kottavarithottil1 aGopinath, Chinnakonda, S.1 aVinod, C., P. uhttps://library.ncl.res.in/content/synthesis-and-catalytic-activity-monodisperse-gold-mesoporous-silica-core-shell-002868nas a2200241 4500008004100000245012800041210006900169260000800238300001600246490000700262520200600269100001702275700001902292700001902311700002802330700002502358700002402383700002002407700002502427700002402452700002002476856013002496 2013 eng d00aSynthesis, structures, and dearomatization by deprotonation of iron complexes featuring bipyridine-based PNN pincer ligands0 aSynthesis structures and dearomatization by deprotonation of iro cJUL a9636–96490 v523 a

The synthesis and characterization of new iron pincer complexes bearing bipyridine-based PNN ligands is reported. Three phosphine-substituted pincer ligands, namely, the known tBu-PNN (6-((di-tert-butylphosphino)methyl)-2,2′-bipyridine) and the two new iPr-PNN (6-((di-iso-propylphosphino)methyl)-2,2′-bipyridine) and Ph-PNN (6-((diphenylphosphino)methyl)-2,2′-bipyridine) ligands were synthesized and studied in ligation reactions with iron(II) chloride and bromide. These reactions lead to the formation of two types of complexes: mono-chelated neutral complexes of the type [(R-PNN)Fe(X)2] and bis-chelated dicationic complexes of the type [(R-PNN)2Fe]2+. The complexes [(R-PNN)Fe(X)2] (1: R = tBu, X = Cl, 2: R = tBu, X = Br, 3: R = iPr, X = Cl, and 4: R = iPr, X = Br) are readily prepared from reactions of FeX2 with the free R-PNN ligand in a 1:1 ratio. Magnetic susceptibility measurements show that these complexes have a high-spin ground state (S = 2) at room temperature. Employing a 2-fold or higher excess of iPr-PNN, diamagnetic hexacoordinated dicationic complexes of the type [(iPr-PNN)2Fe](X)2 (5: X = Cl, and 6: X = Br) are formed. The reactions of Ph-PNN with FeX2 in a 1:1 ratio lead to similar complexes of the type [(Ph-PNN)2Fe](FeX4) (7: X = Cl, and 8: X = Br). Single crystal X-ray studies of 1, 2, 4, 6, and 8 do not indicate electron transfer from the FeII centers to the neutral bipyridine unit based on the determined bond lengths. Density functional theory (DFT) calculations were performed to compare the relative energies of the mono- and bis-chelated complexes. The doubly deprotonated complexes [(R-PNN*)2Fe] (9: R = iPr, and 10: R = Ph) were synthesized by reactions of the dicationic complexes 6 and 8 with KOtBu. The dearomatized nature of the central pyridine of the pincer ligand was established by X-ray diffraction analysis of single crystals of 10. Reactivity studies show that 9 and 10 have a slightly different behavior in protonation reactions.

1 aZell, Thomas1 aLanger, Robert1 aIron, Mark, A.1 aKonstantinovski, Leonid1 aShimon, Linda, J. W.1 aDiskin-Posner, Yael1 aLeitus, Gregory1 aBalaraman, Ekambaram1 aBen-David, Yehoshoa1 aMilstein, David uhttps://library.ncl.res.in/content/synthesis-structures-and-dearomatization-deprotonation-iron-complexes-featuring-bipyridine02290nas a2200253 4500008004100000022001400041245012700055210006900182260011000251300001400361490000700375520131500382653001701697653002301714653002101737653001701758653001501775100002701790700002401817700002001841700002601861700002001887856012901907 2014 eng d a0019-518900aDevelopment of bioconjugate from streptomyces tyrosinase and gold nanoparticles for rapid detection of phenol constituents0 aDevelopment of bioconjugate from streptomyces tyrosinase and gol aDR K S KRISHNAN MARG, PUSA CAMPUS, NEW DELHI 110 012, INDIAbNATL INST SCIENCE COMMUNICATION-NISCAIRcNOV a1071-10810 v523 a

Most of the phenol compounds are toxic and have been considered as hazardous pollutants. Several physicochemical and biological methods are available to detect and monitor the phenol pollutants in water and soil. In the present study, phenol constituents of winery, paper and plastic industrial effluents were successfully detected employing tyrosinase-gold nanoparticles bioconjugate. The synthesis of extracellular tyrosinase and gold nanoparticles was achieved by a single isolate of Streptomyces sp. DBZ-39. Enhanced production (369.41 IU) of tyrosinase was produced in submerged bioprocess employing response surface method with central composite design. Extracellular gold nanoparticles synthesized (12-18 nm) by Streptomyces sp. DBZ-39 were characterized with TEM, EDAX and FTIR analysis. A rapid detection (within 10 min) of phenol constituents from winery effluents was achieved by bioconjugate, when compared to tyrosinases and gold nanoparticles independently. Streptomyces tyrosinase could exhibit relatively a better performance than commercially available mushroom tyrosinase in the detection of phenol constituents. Winery effluent has shown much higher content (0.98 O.D) of phenol constituents than paper and plastic effluents based on the intensity of color and U.V absorption spectra.

10aBioconjugate10agold nanoparticles10aPhenol detection10aStreptomyces10aTyrosinase1 aZainab, Mazhari, Bi Bi1 aMadhusudhan, D., N.1 aRaghavendra, H.1 aDastager, Syed, Gulam1 aDayanand, Agsar uhttps://library.ncl.res.in/content/development-bioconjugate-streptomyces-tyrosinase-and-gold-nanoparticles-rapid-detection-001820nas a2200181 4500008004100000022001400041245014200055210006900197260007100266300001600337490000700353520106200360100002101422700002001443700002301463700002601486856012601512 2014 eng d a0888-588500aEfficient conversion of cellulose to levulinic acid by hydrothermal treatment using zirconium dioxide as a recyclable solid acid catalyst0 aEfficient conversion of cellulose to levulinic acid by hydrother a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcDEC a18796-188050 v533 a

Conversion of cellulose into platform chemicals is essential for sustainable development of the chemical industry. With this aim, single step hydrothermal conversion of cellulose to industrially important levulinic acid using zirconium dioxide as a catalyst has been investigated. A remarkably high yield (53.9 mol %) of levulinic acid with excellent accountability and total conversion of cellulose has been achieved at 180 degrees C reaction temperature and reaction time of 3 h with 2 wt % of catalyst and 2 g of cellulose. The major products identified were levulinic acid (LA), formic acid (FA), 5-hydroxymethylfurfural (5-HMF), furfural, and humins. Formation of humins during cellulose hydrolysis and dehydration was observed and is also confirmed by NMR and FTIR analysis. The effect of various reaction parameters such as temperature, time, substrate concentration, and catalyst loading on conversion and selectivity has been studied. The catalyst has been regenerated and recycled several times without any loss of activity and selectivity.

1 aJoshi, Sunil, S.1 aZodge, Amit, D.1 aPandare, Kiran, V.1 aKulkarni, Bhaskar, D. uhttps://library.ncl.res.in/content/efficient-conversion-cellulose-levulinic-acid-hydrothermal-treatment-using-zirconium-001494nas a2200253 4500008004100000022001400041245016900055210006900224260010600293300001400399490000700413520047800420653001300898653002000911653002500931653001700956653001700973653001800990100002601008700002101034700003101055700003001086856012401116 2014 eng d a0040-403900aHighly regioselective C4-hydrazinylation of 2,4-dichloroquinolines: expedient synthesis of aminoquinoline substituted pyrrolidin-2,5-diones via hydrazinylquinolines0 aHighly regioselective C4hydrazinylation of 24dichloroquinolines  aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcJUL a4240-42440 v553 a

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

10a5-diones10aEaton's reagent10aHydrazinylquinolines10aPyrrolidin-210aRegioisomers10aSNAr reaction1 aKumar, Gopal, Senthil1 aZeller, Matthias1 aGonnade, Rajesh, Ghanshyam1 aPrasad, Kamam, Jayarampil uhttps://library.ncl.res.in/content/highly-regioselective-c4-hydrazinylation-24-dichloroquinolines-expedient-synthesis-002802nas a2200241 4500008004100000022001400041245015300055210006900208260009000277300001400367490000700381520183700388653002602225653001302251653002402264100002202288700002902310700002502339700002402364700002402388700002702412856012102439 2014 eng d a1388-020900aIsolation, characterization and antihyperlipidemic activity of secoisolariciresinol diglucoside in poloxamer-407-induced experimental hyperlipidemia0 aIsolation characterization and antihyperlipidemic activity of se aTELEPHONE HOUSE, 69-77 PAUL STREET, LONDON EC2A 4LQ, ENGLANDbINFORMA HEALTHCAREcSEP a1094-11030 v523 a

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

10acolumn chromatography10aflaxseed10aLinum usitatissimum1 aZanwar, Anand, A.1 aHegde, Mahabaleshwar, V.1 aRojatkar, Supada, R.1 aSonawane, Kiran, B.1 aRajamohanan, P., R.1 aBodhankar, Subhash, L. uhttps://library.ncl.res.in/content/isolation-characterization-and-antihyperlipidemic-activity-secoisolariciresinol-001676nas a2200265 4500008004100000022001400041245013400055210006900189260007100258300001400329490000600343520068500349653002801034653001801062653001201080653001501092653003101107100002901138700002401167700002001191700002301211700002301234700002201257856013101279 2014 eng d a2168-048500aOne-pot synthesis of 5-hydroxymethylfurfural by cellulose hydrolysis over highly active bimodal micro/mesoporous H-ZSM-5 catalyst0 aOnepot synthesis of 5hydroxymethylfurfural by cellulose hydrolys a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcJUL a1928-19320 v23 a

Direct synthesis of 5-hydroxymethylfurfural (5-HMF), a useful renewable biofuel and biochemical, was systematically studied by hydrolysis of microcrystalline cellulose over Bimodal-HZ-5 zeolite. Bimodal-HZ-5 zeolite obtained by post-synthesis modification of H-ZSM-5 with desilication was found to be a potential heterogeneous catalyst with 67% cellulose conversion and 46% yield of 5-HMF. Bimodal-HZ-5 was observed to be reusable for four cycles, without any loss in activity. The detailed optimization of process parameters and catalyst reusability are also presented. The present study opens a new avenue for the renewable one-pot synthesis of 5-HMF, a valuable product.

10a5-Hydroxymethylfurfural10aBiomodal-HZ-510aglucose10aHydrolysis10aMicrocrystalline cellulose1 aNandiwale, Kakasaheb, Y.1 aGalande, Nitish, D.1 aThakur, Pratika1 aSawant, Sanjay, D.1 aZambre, Vishal, P.1 aBokade, Vijay, V. uhttps://library.ncl.res.in/content/one-pot-synthesis-5-hydroxymethylfurfural-cellulose-hydrolysis-over-highly-active-bimodal-001894nas a2200241 4500008004100000022001400041245009000055210006900145260007700214300001400291490000700305520103300312100002001345700001601365700002501381700001401406700002001420700002001440700002201460700002501482700002401507856012101531 2014 eng d a1616-301X00aScaling behavior of resistive switching in epitaxial bismuth ferrite heterostructures0 aScaling behavior of resistive switching in epitaxial bismuth fer aBOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANYbWILEY-V C H VERLAG GMBHcJUL a3962-39690 v243 a

Resistive switching (RS) of (001) epitaxial multiferroic BiFeO3/La0.67Sr0.33MnO3/SrTiO3 heterostructures is investigated for varying lengths scales in both the thickness and lateral directions. Macroscale current-voltage analyses in conjunction with local conduction atomic force microscopy (CAFM) reveal that whilst both the local and global resistive states are strongly driven by polarization direction, the type of conduction mechanism is different for each distinct thickness regime. Electrode-area dependent studies confirm the RS is dominated by an interface mechanism and not by filamentary formation. Furthermore, CAFM maps allow deconvolution of the roles played by domains and domain walls during the RS process. It is shown that the net polarization direction, and not domain walls, controls the conduction process. An interface mechanism based on barrier height and width alteration due to polarization reversal is proposed, and the role of electronic reconstruction at the interface is further investigated.

1 aRana, Abhimanyu1 aLu, Haidong1 aBogle, Kashinath, A.1 aZhang, Qi1 aVasudevan, Rama1 aThakare, Vishal1 aGruverman, Alexei1 aOgale, Satishchandra1 aValanoor, Nagarajan uhttps://library.ncl.res.in/content/scaling-behavior-resistive-switching-epitaxial-bismuth-ferrite-heterostructures-001644nas a2200229 4500008004100000022001400041245012700055210006900182260007700251300001400328490000600342520075500348653002601103653002301129653001401152653001201166100003501178700002801213700001701241700002801258856012801286 2015 eng d a1867-388000aActivity enhancement upon the incorporation of titanium: au@ti-sio2 core-shell nanocatalysts for the CO oxidation reaction0 aActivity enhancement upon the incorporation of titanium autisio2 aBOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANYbWILEY-V C H VERLAG GMBHcAPR a1222-12300 v73 a

The encapsulation of gold nanoparticles 8-12nm in size within a porous Ti-SiO2 shell to form a core-shell nanoarchitecture was investigated, and the catalytic activity of the resulting structure was probed. Detailed characterization of the synthesized materials shows that the core-shell morphology is lost beyond a certain amount of incorporated titanium, and results in normal gold-supported Ti-SiO2. The material has a high surface area (913m(2)g(-1)) and high porosity, both of which make it an excellent choice for catalytic applications. With the optimum amount of incorporated Ti, the core-shell catalyst shows excellent room-temperature CO oxidation activity over several cycles with retention of its morphology at higher temperatures.

10acore-shell structures10agold nanoparticles10aOxidation10aTi-SiO21 aSekhar, Anandakumari, C. Sunil1 aZiyad, Kottavarithottil1 aSoni, Yogita1 aVinod, Chathakudath, P. uhttps://library.ncl.res.in/content/activity-enhancement-upon-incorporation-titanium-auti-sio2-core-shell-nanocatalysts-co-002366nas a2200277 4500008004100000022001400041245009100055210006900146260009000215300001400305490000800319520140000327653003101727653001501758653002701773653002801800653001401828100002101842700001501863700001701878700002001895700001701915700002101932700001901953856011601972 2015 eng d a0022-283600aAtomic-resolution structures of the APC/C subunits Apc4 and the Apc5 N-terminal domain0 aAtomicresolution structures of the APCC subunits Apc4 and the Ap a24-28 OVAL RD, LONDON NW1 7DX, ENGLANDbACADEMIC PRESS LTD- ELSEVIER SCIENCE LTDcOCT a3300-33150 v4273 a

Many essential biological processes are mediated by complex molecular machines comprising multiple subunits. Knowledge on the architecture of individual subunits and their positions within the overall multimeric complex is key to understanding the molecular mechanisms of macromolecular assemblies. The anaphase-promoting complex/cyclosome (APC/C) is a large multisubunit complex that regulates cell cycle progression by ubiquitinating cell cycle proteins for proteolysis by the proteasome. The holo-complex is composed of 15 different proteins that assemble to generate a complex of 20 subunits. Here, we describe the crystal structures of Apc4 and the N-terminal domain of Apc5 (Apc5(N)). Apc4 comprises a WD40 domain split by a long alpha-helical domain, whereas Apc5(N) has an alpha-helical fold. In a separate study, we had fitted these atomic models to a 3.6-angstrom-resolution cryo-electron microscopy map of the APC/C. We describe how, in the context of the APC/C, regions of Apc4 disordered in the crystal assume order through contacts to Apc5, whereas Apc5(N) shows small conformational changes relative to its crystal structure. We discuss the complementary approaches of high-resolution electron microscopy and protein crystallography to the structure determination of subunits of multimeric complexes. (c) 2015 MRC Laboratory of Molecular Biology. Published by Elsevier Ltd.

10aanaphase-promoting complex10acell cycle10amultisubunit structure10aprotein crystallography10aubiquitin1 aCronin, Nora, B.1 aYang, Jing1 aZhang, Ziguo1 aKulkarni, Kiran1 aChang, Leifu1 aYamano, Hiroyuki1 aBarford, David uhttps://library.ncl.res.in/content/atomic-resolution-structures-apcc-subunits-apc4-and-apc5-n-terminal-domain-001932nas a2200229 4500008004100000022001400041245012600055210006900181260011000250300001400360490000600374520101600380100002701396700002201423700002401445700002201469700002401491700002301515700001801538700002501556856012101581 2015 eng d a2050-750X00aCalcium phosphate nanocapsule crowned multiwalled carbon nanotubes for pH triggered intracellular anticancer drug release0 aCalcium phosphate nanocapsule crowned multiwalled carbon nanotub aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcAPR a3931-39390 v33 a

We report calcium phosphate (CaP) nanocapsule crowned multi-walled carbon nanotubes (CNT-GSH-G4-CaP) as a novel platform for intracellular delivery of an anticancer drug. As a proof-of-concept, CNT-GSH-G4-CaP demonstrates release of anticancer drug doxorubicin hydrochloride (DOX) within intracellular lysosomes from the interior cavity of CNT upon pH triggered CaP dissolution. Importantly, we found that the CNT with a CaP nanolid can efficiently prevent untimely drug release at physiological pH but promotes DOX release at increased acidic milieu as observed in subcellular compartments such as lysosomes (similar to 5.0). This ``zero premature release'' characteristic is of clinical significance in delivering cytotoxic drugs, by reducing systemic toxicity and thus beneficial for the effective anticancer treatment. We envision that this pH triggered CaP crowned CNT nanosystem would lead to a new generation of self-regulated platforms for intracellular delivery of a variety of anticancer drugs.

1 aBanerjee, Shashwat, S.1 aTodkar, Kiran, J.1 aKhutale, Ganesh, V.1 aChate, Govind, P.1 aBiradar, Ankush, V.1 aGawande, Manoj, B.1 aZboril, Radek1 aKhandare, Jayant, J. uhttps://library.ncl.res.in/content/calcium-phosphate-nanocapsule-crowned-multiwalled-carbon-nanotubes-ph-triggered-002127nas a2200265 4500008004100000022001400041245012200055210006900177260009900246300001200345490000800357520114100365653002501506653001401531653003701545653002701582653000901609100001901618700001701637700002401654700002201678700001601700700002101716856012401737 2015 eng d a0960-852400aConversion of dried aspergillus candidus mycelia grown on waste whey to biodiesel by in situ acid transesterification0 aConversion of dried aspergillus candidus mycelia grown on waste  aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLANDbELSEVIER SCI LTDcDEC a502-5070 v1973 a

This study reports optimization of the transesterification reaction step on dried biomass of an oleaginous fungus Aspergillus candidus grown on agro-dairy waste, whey. Acid catalyzed transesterification was performed and variables affecting esterification, viz., catalyst methanol and chloroform concentrations, temperature, time, and biomass were investigated. Statistical optimization of the transesterification reaction using Plackett-Burman Design showed biomass to be the predominant factor with a 12.5-fold increase in total FAME from 25.6 to 320 mg. Studies indicate that the transesterification efficiency in terms of conversion is favored by employing lower biomass loadings. A. candidus exhibited FAME profiles containing desirable saturated (30.2%), monounsaturated (31.5%) and polyunsaturated methyl esters (38.3%). The predicted and experimentally determined biodiesel properties (density, kinematic viscosity, iodine value, cetane number, TAN, water content, total and free glycerol) were in accordance with international (ASTM D6751, EN 14214) and national (IS 15607) standards. (C) 2015 Published by Elsevier Ltd.

10aAspergillus candidus10aBiodiesel10aIn situ acid transesterification10aPlackett-Burman Design10aWhey1 aKakkad, Hardik1 aKhot, Mahesh1 aZinjarde, Smita, S.1 aRaviKumar, Ameeta1 aKumar, Ravi1 aKulkarni, B., D. uhttps://library.ncl.res.in/content/conversion-dried-aspergillus-candidus-mycelia-grown-waste-whey-biodiesel-situ-acid-001763nas a2200229 4500008004100000022001400041245009100055210006900146260011000215300001400325490000700339520089200346100002301238700002301261700002001284700001801304700002401322700002101346700001801367700002401385856012401409 2015 eng d a0306-001200aCore-shell nanoparticles: synthesis and applications in catalysis and electrocatalysis0 aCoreshell nanoparticles synthesis and applications in catalysis  aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcAUG a7540-75900 v443 a

Core-shell nanoparticles (CSNs) are a class of nanostructured materials that have recently received increased attention owing to their interesting properties and broad range of applications in catalysis, biology, materials chemistry and sensors. By rationally tuning the cores as well as the shells of such materials, a range of core-shell nanoparticles can be produced with tailorable properties that can play important roles in various catalytic processes and offer sustainable solutions to current energy problems. Various synthetic methods for preparing different classes of CSNs, including the Stober method, solvothermal method, one-pot synthetic method involving surfactants, etc., are briefly mentioned here. The roles of various classes of CSNs are exemplified for both catalytic and electrocatalytic applications, including oxidation, reduction, coupling reactions, etc.

1 aGawande, Manoj, B.1 aGoswami, Anandarup1 aAsefa, Tewodros1 aGuo, Huizhang1 aBiradar, Ankush, V.1 aPeng, Dong-Liang1 aZboril, Radek1 aVarma, Rajender, S. uhttps://library.ncl.res.in/content/core-shell-nanoparticles-synthesis-and-applications-catalysis-and-electrocatalysis-002579nas a2200217 4500008004100000022001400041245014300055210006900198260011000267300001600377490000600393520168000399100002102079700002002100700002602120700001602146700002602162700002202188700002102210856013002231 2015 eng d a2046-206900aFreezing tendency towards 4-coordinated amorphous networks causes an increase in the heat capacity of supercooled Stillinger-Weber silicon0 aFreezing tendency towards 4coordinated amorphous networks causes aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcMAY a44679-446860 v53 a

Supercooled liquid silicon (Si), modeled by the Stillinger-Weber (SW) potential, has been shown to undergo transition to low density amorphous phases at 1060 K in previous studies. Furthermore, the constant pressure heat capacity C-p has been found to exhibit a large increase as the liquid is cooled to 1060 K. In this work, we examine the nature of the equilibrium and the relaxation process of supercooled SW Si in the temperature range of 1060 K to 1070 K at zero pressure. We find that the relaxation of the supercooled liquid leads to a sharp irreversible decrease in the fluctuation of the two body energy of the largest connected network of 4-coordinated particles. Such a process implies a tightening of the bonds (i.e. freezing or jamming) of the network, and is accompanied by a sharp increase in the fraction of the 4-coordinated particles in the system. We find that the jamming (or freezing) process shows a sudden acceleration across a dynamical instability point that occurs at a unique potential energy state of the network. Further, we find that the occurrence of the dynamical instability is associated with the appearance of a straight line region in the cumulative potential energy distributions with a configurational temperature close to 1060 K. We conclude that the supercooled liquid state must be regarded as a constrained equilibrium state, since the accessible microstates are constrained by the inherent tendency of the system to approach the dynamical instability point. Thus all properties of supercooled liquid SW-Si, including the rise in C-p at 1060 K, can be attributed to the freezing tendency of the 4-coordinated particle network.

1 aApte, Pankaj, A.1 aPingua, Nandlal1 aGautam, Arvind, Kumar1 aKumar, Uday1 aWillow, Soohaeng, Yoo1 aZeng, Xiao, Cheng1 aKulkarni, B., D. uhttps://library.ncl.res.in/content/freezing-tendency-towards-4-coordinated-amorphous-networks-causes-increase-heat-capacity-002652nas a2200205 4500008004100000022001400041245013700055210006900192260009100261300001300352490000700365520181000372100002102182700001902203700002202222700002402244700003302268700002202301856012302323 2015 eng d a1932-620300aGedunin and azadiradione: human pancreatic alpha-amylase inhibiting limonoids from neem (azadirachta indica) as anti-diabetic agents0 aGedunin and azadiradione human pancreatic alphaamylase inhibitin a1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USAbPUBLIC LIBRARY SCIENCEcOCT ae01401130 v103 a

Human pancreatic alpha-amylase (HPA) inhibitors offer an effective strategy to lower postprandial hyperglycemia via control of starch breakdown. Limonoids from Azadirachta indica known for their therapeutic potential were screened for pancreatic alpha-amylase inhibition, a known anti-diabetic target. Studies were carried out to reveal their mode of action so as to justify their hypoglycemic potential. Of the nine limonoids isolated/semi-synthesized from A. indica and screened for alpha-amylase inhibition, azadiradione and exhibited potential inhibition with an IC50 value of 74.17 and 68.38 mu M, respectively against HPA under in vitro conditions. Further screening on AR42J alpha-amylase secretory cell line for cytotoxicity and bioactivity revealed that azadiradione and gedunin exhibited cytotoxicity with IC50 of 11.1 and 13.4 mu M. Maximal secreted alpha-amylase inhibition of 41.8% and 53.4% was seen at 3.5 and 3.3 mu M, respectively. Michaelis-Menten kinetics suggested a mixed mode of inhibition with maltopentaose (K-i 42.2, 18.6 mu M) and starch (K-i' 75.8, 37.4 mu M) as substrate with a stiochiometry of 1: 1 for both azadiradione and gedunin, respectively. The molecular docking simulation indicated plausible p-alkyl and alkyl-alkyl interactions between the aromatic amino acids and inhibitors. Fluorescence and CD confirmed the involvement of tryptophan and tyrosine in ligand binding to HPA. Thermodynamic parameters suggested that binding is enthalpically and entropically driven with Delta G degrees of -21.25 kJ mol(-1) and -21.16 kJ mol(-1) for azadiradione and gedunin, respectively. Thus, the limonoids azadiradione and gedunin could bind and inactivate HPA (anti-diabetic target) and may prove to be lead drug candidates to reduce/control post-prandial hyperglycemia.

1 aPonnusamy, Sudha1 aHaldar, Saikat1 aMulani, Fayaj, A.1 aZinjarde, Smita, S.1 aThulasiram, Hirekodathakallu1 aRaviKumar, Ameeta uhttps://library.ncl.res.in/content/gedunin-and-azadiradione-human-pancreatic-alpha-amylase-inhibiting-limonoids-neem-101944nas a2200289 4500008004100000022001400041245009300055210006900148260007100217300001600288490000800304520090600312100002201218700002301240700002501263700002701288700002801315700003201343700002401375700002001399700001901419700001901438700002501457700002201482700002201504856012801526 2015 eng d a0002-786300aGelation landscape engineering using a multi-reaction supramolecular hydrogelator system0 aGelation landscape engineering using a multireaction supramolecu a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcNOV a14236-142390 v1373 a

Simultaneous control of the kinetics and thermodynamics of two different types of covalent chemistry allows pathway selectivity in the formation of hydrogelating molecules from a complex reaction network. This can lead to a range of hydrogel materials with vastly different properties, starting from a set of simple starting compounds and reaction conditions. Chemical reaction between a trialdehyde and the tuberculosis drug isoniazid can form one, two, or three hydrazone connectivity products, meaning kinetic gelation pathways can be addressed. Simultaneously, thermodynamics control the formation of either a keto or an enol tautomer of the products, again resulting in vastly different materials. Overall, this shows that careful navigation of a reaction landscape using both kinetic and thermodynamic selectivity can be used to control material selection from a complex reaction network.

1 aFoster, Jamie, S.1 aZurek, Justyna, M.1 aAlmeida, Nuno, M. S.1 aHendriksen, Wouter, E.1 ale Sage, Vincent, A. A.1 aLakshminarayanan, Vasudevan1 aThompson, Amber, L.1 aBanerjee, Rahul1 aEelkema, Rienk1 aMulvana, Helen1 aPaterson, Martin, J.1 avan Esch, Jan, H.1 aLloyd, Gareth, O. uhttps://library.ncl.res.in/content/gelation-landscape-engineering-using-multi-reaction-supramolecular-hydrogelator-system-002554nas a2200253 4500008004100000022001400041245009700055210006900152260009200221300001200313490000700325520164600332100002801978700001902006700001602025700001202041700001802053700001802071700002302089700002002112700001602132700002602148856012602174 2015 eng d a0021-882000aNonomuraea indica sp nov., novel actinomycetes isolated from lime-stone open pit mine, India0 aNonomuraea indica sp nov novel actinomycetes isolated from limes a2 20 8 KAMIOSAKI SHINAGAWA KU, TOKYO, 141, JAPANbJAPAN ANTIBIOTICS RESEARCH ASSOCcAUG a491-4950 v683 a

A Gram-positive, aerobic, nonmotile actinomycete strain designated DRQ-2(T) was isolated from the soil sample collected from limestone open pit mine from the Gulbarga region, Karnataka province, India. Strain DRQ-2(T) was identified as a member of the genus Nonomuraea by a polyphasic approach. Strain DRQ-2(T) could be differentiated from other members of the genus Nonomuraea on the basis of physiology and 16S rRNA gene sequence analysis. The 16S rRNA gene sequence similarity of strain DRQ-2(T) showed highest sequence similarity to Nonomuraea muscovyensis DSM 45913(T) (99.1%), N. salmonea DSM 43678(T) (98.2%) and N. maheshkhaliensis JCM 13929(T) with 98.0%, respectively. Chemotaxonomic properties showing predominant menaquinones of MK-9 (H-4), MK-9(H-2) and MK-9(H-6), major polar lipids comprised diphosphatidylglycerol, phosphatidylmono methyl ethanolamine (PME), phosphatidylethanolamine (PE), hydroxy-PME (OH-PME), hydroxy PE (OH-PEE), phosphatidylglycerol (PG), ninhydrin-positive phosphoglycolipid and unknown phospholipid, fatty acids with major amounts of i-C-16:0, ai-C-15:0 and ai-C-17:0 supported allocation of the strain to the genus Nonomuraea. Results of DNA-DNA hybridization and physiological tests allowed genotypic and phenotypic differentiation of strain DRQ-2(T) from closely related species. The genomic DNA G+C content of the organism was 72.5 mol%. On the basis of phenotypic, chemotypic and molecular characteristics, strain DRQ-2(T) represents a novel species of the genus Nonomuraea, for which the name N. indica sp. nov. is proposed, with type strain DRQ-2(T) (= NCIM 5480(T) = CCTCC AA 209050(T)).

1 aQuadri, Syed, Raziuddin1 aTian, Xin-Peng1 aZhang, Jing1 aLi, Jie1 aNie, Guo-Xing1 aTang, Shu-Kun1 aRuwaili, Jamal, Al1 aAgsar, Dayanand1 aLi, Wen-Jun1 aDastager, Syed, Gulam uhttps://library.ncl.res.in/content/nonomuraea-indica-sp-nov-novel-actinomycetes-isolated-lime-stone-open-pit-mine-india-002250nas a2200193 4500008004100000022001400041245013100055210006900186260007100255300001600326490000800342520147800350100001901828700001801847700001601865700003001881700002101911856012401932 2015 eng d a1932-744700aSynthesis, optoelectronic, and transistor properties of BODIPY- and cyclopenta[c]thiophene-containing pi-conjugated copolymers0 aSynthesis optoelectronic and transistor properties of BODIPY and a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcJUL a15859-158670 v1193 a

Three new low-band-gap copolymers were synthesized by fusing dipyrromethene difluoroborane (BODIPY) as the acceptor (A) and thiophene-capped 5,5-bis(hexyloxymethyl)-5,6-dihydro-4H-cyclopenta[c]-thiophene (CPT) as the donor (D). The BODIPY unit was copolymerized through the `alpha' positions (1 and 7 positions) in P1 and through the `beta' positions (2 and 6 positions) in P2 and P3. The additional acetylene unit between D and A in P3 enhanced the conjugation by minimizing the possible steric hindrance compared to that in P2, whereas P1 exhibited a more red-shifted absorption than P2 and P3 because of the more effective conjugaion through the `alpha' positions of BODIPY. Importantly, the optical band gaps (E-g(opt)) obtained from the onset of the absorption spectra are 1.28, 1.71, and 1.57 eV for P1, P2, and P3, respectively. P1 has the lowest band gap for any CPT-containing polymer. In the best transistor devices, a mobility improvement by 4 orders of magnitude from 3.22 x 10(-6) cm(2) V-1 s(-1) for P2 to 0.01 cm(2) V-1 s(-1) for P1 was achieved. DFT calculations alongside measured charge-transport properties indicated that appreciable alterations in the optoelectronic properties of the polymers were achieved through minor changes in their structural features. The polymers were further characterized by thin-film X-ray diffraction, atomic force microscopy, and spectroelectrochemistry to investigate their material and electrochemical properties.

1 aDebnath, Sashi1 aSingh, Saumya1 aBedi, Anjan1 aKrishnamoorthy, Kothandam1 aZade, Sanjio, S. uhttps://library.ncl.res.in/content/synthesis-optoelectronic-and-transistor-properties-bodipy-and-cyclopentacthiophene-100677nas a2200169 4500008004100000022001400041245007000055210006900125260011000194300001400304490000700318100002000325700002000345700002200365700001900387856010100406 2016 eng d a1466-803300a2016 New talent: crystal engineering at its biggest and strongest0 a2016 New talent crystal engineering at its biggest and strongest aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcMAY a3963-39670 v181 aBanerjee, Rahul1 aDay, Graeme, M.1 aFriscic, Tomislav1 aZhang, Hongjie uhttps://library.ncl.res.in/content/2016-new-talent-crystal-engineering-its-biggest-and-strongest02671nas a2200229 4500008004100000022001400041245010800055210006900163260011800232300001200350490000700362520177700369100002802146700001902174700001602193700002302209700002202232700002002254700001602274700002602290856012502316 2016 eng d a1466-502600aActinorectispora indica gen. nov., sp nov isolated from soil, a member of the family pseudonocardiaceae0 aActinorectispora indica gen nov sp nov isolated from soil a memb aMARLBOROUGH HOUSE, BASINGSTOKE RD, SPENCERS WOODS, READING RG7 1AG, BERKS, ENGLANDbSOC GENERAL MICROBIOLOGYcFEB a939-9450 v663 a

The taxonomic positions of three Gram-stain-positive, aerobic strains, designated YIM 75722, 75726 and 75728(T), and isolated from a soil sample collected from Kurnool of Andhra Pradesh province, India, were assessed using a polyphasic approach. Growth was observed at pH 7.0-10.0 (optimum pH 7.0), 15-28 degrees C (optimum 28 degrees C) and 0-8% (w/v) NaCl (grew without NaCl). Strains showed cylindrical spores with straight-chain morphology on aerial mycelium, but did not reveal sporangium-like structures or fragmentation of the substrate mycelium. Whole-cell hydrolysates of all strains contained galactose and ribose as the diagnostic sugars and meso-diaminopimelic acid as the diamino acid. The predominant menaquinone was MK-9(H-4); MK-9 (H-6) and MK-10 (H-4) were present in smaller amounts. The phospholipid pattern consisted mainly of diphosphatidylglycerol, phosphatidylglycerol and phosphatidylcholine. The major fatty acids were i-C-15: 0, ai-C-15: 0, i-C-17 : 0 and ai-C-17 : 0. The genomic DNA G+C content was 68.0 mol%. Phylogenetic analysis, based on 16S rRNA gene sequences, revealed that strain YIM 75728(T) should be placed within the family Pseudonocardiaceae, in which the strain formed a distinct lineage. The combination of phylogenetic analysis, phenotypic characteristics and chemotaxonomic data support the conclusion that strain YIM 75728(T) represents a novel species of a novel genus of the family Pseudonocardiaceae for which the name Actinorectispora indica gen. nov., sp. nov., is proposed. Strain YIM 75728(T) (=DSM 45410(T)=CCTCC AA 209065(T)) is the type strain of Actinorectispora indica. Strain YIM 75728(T) was considered as the type strain over the other two strains based on the highest sequence read length of the strain.

1 aQuadri, Syed, Raziuddin1 aTian, Xin-Peng1 aZhang, Jing1 aRuwaili, Jamal, Al1 aHozzein, Wael, N.1 aAgsar, Dayanand1 aLi, Wen-Jun1 aDastager, Syed, Gulam uhttps://library.ncl.res.in/content/actinorectispora-indica-gen-nov-sp-nov-isolated-soil-member-family-pseudonocardiaceae02652nas a2200373 4500008004100000022001400041245014200055210006900197260006700266300001400333490000700347520139300354653001301747653002301760653001701783653000801800653003101808653001501839100002001854700001701874700002601891700002601917700002001943700002301963700002501986700001602011700001302027700003402040700002402074700002002098700001602118700002102134856012302155 2016 eng d a1467-764400aFusarium oxysporum mediates systems metabolic reprogramming of chickpea roots as revealed by a combination of proteomics and metabolomics0 aFusarium oxysporum mediates systems metabolic reprogramming of c a111 RIVER ST, HOBOKEN 07030-5774, NJ USAbWILEY-BLACKWELLcJUL a1589-16030 v143 a

Molecular changes elicited by plants in response to fungal attack and how this affects plant-pathogen interaction, including susceptibility or resistance, remain elusive. We studied the dynamics in root metabolism during compatible and incompatible interactions between chickpea and Fusarium oxysporum f. sp. ciceri (Foc), using quantitative label-free proteomics and NMR-based metabolomics. Results demonstrated differential expression of proteins and metabolites upon Foc inoculations in the resistant plants compared with the susceptible ones. Additionally, expression analysis of candidate genes supported the proteomic and metabolic variations in the chickpea roots upon Foc inoculation. In particular, we found that the resistant plants revealed significant increase in the carbon and nitrogen metabolism; generation of reactive oxygen species (ROS), lignification and phytoalexins. The levels of some of the pathogenesis-related proteins were significantly higher upon Foc inoculation in the resistant plant. Interestingly, results also exhibited the crucial role of altered Yang cycle, which contributed in different methylation reactions and unfolded protein response in the chickpea roots against Foc. Overall, the observed modulations in the metabolic flux as outcome of several orchestrated molecular events are determinant of plant's role in chickpea-Foc interactions.

10aChickpea10afusarium oxysporum10aMetabolomics10aNMR10aplant-pathogen interaction10aproteomics1 aKumar, Yashwant1 aZhang, Limin1 aPanigrahi, Priyabrata1 aDholakia, Bhushan, B.1 aDewangan, Veena1 aChavan, Sachin, G.1 aKunjir, Shrikant, M.1 aWu, Xiangyu1 aLi, Ning1 aRajmohanan, Pattuparambil, R.1 aKadoo, Narendra, Y.1 aGiri, Ashok, P.1 aTang, Huiru1 aGupta, Vidya, S. uhttps://library.ncl.res.in/content/fusarium-oxysporum-mediates-systems-metabolic-reprogramming-chickpea-roots-revealed01849nas a2200313 4500008004100000022001400041245012200055210006900177260007100246300001200317490000600329520075600335653002901091653003501120653001901155653001701174653001501191653001501206653001701221100002001238700002101258700001901279700002101298700002201319700001901341700002301360700002501383856012701408 2016 eng d a1944-824400aHybrid perovskite quantum nanostructures synthesized by electrospray antisolvent-solvent extraction and intercalation0 aHybrid perovskite quantum nanostructures synthesized by electros a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcJAN a854-8610 v83 a

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

10a2D nanostructure systems10aantisolvent-solvent extraction10abandgap tuning10aelectrospray10ananosheets10aperovskite10aquantum dots1 aNaphade, Rounak1 aNagane, Satyawan1 aShanker, Shiva1 aFernandes, Rohan1 aKothari, Dushyant1 aZhou, Yuanyuan1 aPadture, Nitin, P.1 aOgale, Satishchandra uhttps://library.ncl.res.in/content/hybrid-perovskite-quantum-nanostructures-synthesized-electrospray-antisolvent-solvent-003545nas a2200313 4500008004100000022001400041245013800055210006900193260007300262300000900335490000700344520238000351653007102731653002402802653002202826653001602848653002102864653001302885100002402898700002302922700002102945700002302966700001902989700002703008700002203035700002503057700001903082856013003101 2016 eng d a1567-576900aIsolates of alpinia officinarum hance as COX-2 inhibitors: evidence from anti-inflammatory, antioxidant and molecular docking studies0 aIsolates of alpinia officinarum hance as COX2 inhibitors evidenc aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcAPR a8-170 v333 a

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

10a5-Hydroxy-7-(4 `'-hydroxy-3 `'-methoxyphenyl)-1-phenyl-3-heptanone10aAlpinia officinarum10aAnti-inflammatory10aAntioxidant10aCOX-2 inhibitors10aGalangin1 aHonmore, Varsha, S.1 aKandhare, Amit, D.1 aKadam, Parag, P.1 aKhedkar, Vijay, M.1 aSarkar, Dhiman1 aBodhankar, Subhash, L.1 aZanwar, Anand, A.1 aRojatkar, Supada, R.1 aNatu, Arun, D. uhttps://library.ncl.res.in/content/isolates-alpinia-officinarum-hance-cox-2-inhibitors-evidence-anti-inflammatory-antioxidant01628nas a2200193 4500008004100000245015300041210006900194260000800263300001200271490000700283520088500290100002201175700001901197700002401216700001601240700002601256700002201282856013001304 2016 eng d00aRole of aliasing and interacting factors in the enhanced production of dehalogenase from Yarrowia lipolytica for degradation of brominated compounds0 aRole of aliasing and interacting factors in the enhanced product cSEP a114-1210 v413 aUse of persistent organobromines for industrial applications has led to their accumulation in environment. Yarrowia lipolytica NCIM 3589, a tropical marine yeast, degrades and detoxifies bromocompounds by an initial hydrolytic step. By optimizing culture conditions with 1-bromodecane as reference compound, the dehalogenase involved was remarkably enhanced 13-fold (384.13 U/ml) by a hybrid statistical Plackett-Burman and Box-Behnken design of experiments. Studies bring out in a novel way the role of aliasing and other masked interactions in growth media factors. Importantly, the enzyme acted on C3-C16 bromoalkanes and bromoaromatics, thereby generalizing the 'green chemistry' applicability of optimized media formulation for biotechnological applications. (C) 2016 The Korean Society of Industrial and Engineering Chemistry. Published by Elsevier B.V. All rights reserved.1 aVatsal, Aakanksha1 aPotdar, Chirag1 aZinjarde, Smita, S.1 aKumar, Ravi1 aKulkarni, Bhasker, D.1 aRaviKumar, Ameeta uhttps://library.ncl.res.in/content/role-aliasing-and-interacting-factors-enhanced-production-dehalogenase-yarrowia-lipolytica02037nas a2200193 4500008004100000245013800041210006900179260000800248300001600256490000600272520131300278100001901591700002801610700001801638700001601656700003001672700002101702856012001723 2016 eng d00aSelenium-containing fused bicyclic heterocycle diselenolodiselenole: field effect transistorstudy and structure property relationship0 aSeleniumcontaining fused bicyclic heterocycle diselenolodiseleno cJUL a18222-182300 v83 aThe first application of the diselenolodiselenole (C4Se4) heterocycle as an active organic field effect transistor materials is demonstrated here. C4Se4 derivatives (2a-2d) were obtained by using a newly developed straightforward diselenocyclization protocol, which includes the reaction of diynes with selenium powder at elevated temperature. C4Se4 derivatives exhibit strong donor characteristics and planar structure (except 2d). The atomic force microscopic analysis and thin-film X-ray diffraction pattern of compounds 2a-2d indicated the formation of distinct crystalline films that contain large domains. A scanning electron microscopy study of compound 2b showed development of symmetrical grains with an average diameter of 150 nm. Interestingly, 2b exhibited superior hole mobility, approaching 0.027 cm(2) V-1 s(-1) with a transconductance of 9.2 mu S. This study correlate the effect of p-stacking, Se center dot center dot center dot Se intermolecular interaction, and planarity with the charge transport properties and performance in the field effect transistor devices. We have shown that the planarity in C4Se4 derivatives was achieved by varying the end groups attached to the C4Se4 core. In turn, optoelectronic properties can also be tuned for all these derivatives by end-group variation.1 aDebnath, Sashi1 aChithiravel, Sundaresan1 aSharma, Sagar1 aBedi, Anjan1 aKrishnamoorthy, Kothandam1 aZade, Sanjio, S. uhttps://library.ncl.res.in/content/selenium-containing-fused-bicyclic-heterocycle-diselenolodiselenole-field-effect02081nas a2200241 4500008004100000022001400041245011300055210006900168260006700237300001400304490000700318520123700325653001401562653001101576653000801587653001701595100001901612700001801631700001601649700003001665700002101695856012301716 2016 eng d a0887-624X00aSite-selective synthesis and characterization of BODIPY-acetylene copolymers and their transistor properties0 aSiteselective synthesis and characterization of BODIPYacetylene  a111 RIVER ST, HOBOKEN 07030-5774, NJ USAbWILEY-BLACKWELLcJUL a1978-19860 v543 a

To study the effect of site-selective copolymerization of borondipyrromethene (BODIPY) with acetylene on the structural and optoelectronic properties, three copolymers P1-P3 were synthesized by the Sonogashira cross-coupling of BODIPY units with diacetylene and bromine capping through all the possible linkages: alpha-alpha (P1), alpha-beta (P2), and beta-beta (P3). The optoelectronic properties of the polymers were investigated systematically to understand the effect of site-selective polymerization. The HOMO levels of the polymers were significantly tuned from P1 to P3 with negligible change in the LUMO levels. Broadening of absorption spectra from P3 to P1 was observed because of increase in the extent of conjugation. Additionally, the charge transport properties of these polymers in organic thin-film transistors (OTFTs) revealed that P1 and P3 exhibited only p-type mobility, whereas P2 exhibited electron mobility. Notably, the further investigations of the surface morphology of polymer films by atomic force microscopy (AFM) unveiled that comb like nanostructural arrangements in P3 was beneficial for the charge-carrier mobility over the circular arrangements in P1 and P2. (C) 2016 Wiley Periodicals, Inc.

10aacetylene10aBODIPY10aDFT10alow-band gap1 aDebnath, Sashi1 aSingh, Saumya1 aBedi, Anjan1 aKrishnamoorthy, Kothandam1 aZade, Sanjio, S. uhttps://library.ncl.res.in/content/site-selective-synthesis-and-characterization-bodipy-acetylene-copolymers-and-their02731nas a2200289 4500008004100000022001400041245010000055210006900155260007400224300001200298490000800310520170400318653001602022653001702038653002402055653003602079100002302115700002502138700002402163700002302187700001502210700001602225700002402241700002602265700002602291856012402317 2016 eng d a0003-607200aStreptomyces lonarensis sp nov., isolated from lonar lake, a meteorite salt water lake in India0 aStreptomyces lonarensis sp nov isolated from lonar lake a meteor aVAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDSbSPRINGERcFEB a225-2350 v1093 a

A novel alkaliphilic actinomycete, strain NCL716(T), was isolated from a soil sample collected from the vicinity of Lonar Lake, an alkaline salt water meteorite lake in Buldhana district of Maharashtra State in India. The strain was characterised using a polyphasic taxonomic approach which confirmed that it belongs to the genus Streptomyces. Growth was observed over a pH range of 7-11 at 28 A degrees C. The cell wall was found to contain ll-diaminopimelic acid and traces of meso-diaminopimelic acid. The major fatty acid components were identified as iso-C-16:0 (46.8 %), C-17:1 (12.4 %), anteiso-C-15:0 (5.1 %) and anteiso-C-17:1 (4.8 %). The major polar lipids were identified as diphosphatidylglycerol, phosphatidylethanolamine, phosphatidylglycerol and phosphatidylinositol. The major menaquinones were determined to be MK-9 (H-6) (70.3 %), MK-9 (H-4) (15.5 %) and MK-9 (H-8) (7.2 %). The G+C content of the DNA of the type strain was determined to be 71.4 mol %. The 16S rRNA gene sequence has been deposited in GenBank with accession number FJ919811. Although the 16S rRNA gene sequence analysis revealed that strain NCL716(T) shares > 99 % similarity with that of Streptomyces bohaiensis strain 11A07(T), DNA-DNA hybridization revealed only 33.2 +/- A 3.0 % relatedness between them. Moreover, these two strains can be readily distinguished by some distinct phenotypic characteristics. Hence, on the basis of phenotypic and genetic analyses, it is proposed that strain NCL716(T) represents a novel species of the genus Streptomyces, for which the name Streptomyces lonarensis sp. nov., is proposed. The type strain is NCL 716(T) (=DSM 42084(T) = MTCC 11708(T) = KCTC 39684(T)).

10aAlkaliphile10aDDH analysis10aPolyphasic taxonomy10aStreptomyces lonarensis sp nov.1 aSharma, Trupti, K.1 aMawlankar, Rahul, R.1 aSonalkar, Vidya, V.1 aShinde, Vidhya, K.1 aZhan, Jing1 aLi, Wen-Jun1 aRele, Meenakshi, V.1 aDastager, Syed, Gulam1 aKumar, Lalitha, Sunil uhttps://library.ncl.res.in/content/streptomyces-lonarensis-sp-nov-isolated-lonar-lake-meteorite-salt-water-lake-india-001854nas a2200181 4500008004100000245010700041210006900148260000800217300001200225490000800237520118700245100002301432700002001455700002201475700002601497700002401523856012501547 2017 eng d00a4-Phenyl quinoline derivatives as potential serotonin receptor ligands with antiproliferative activity0 a4Phenyl quinoline derivatives as potential serotonin receptor li cAUG a246-2580 v1363 aAntagonists of signaling receptors are often effective non-toxic therapeutic agents. Over the years, there have been evidences describing the role of serotonin or 5-hydroxytryptamine (5-HT) in development of cancer. Although there are reports on the antiproliferative effects of some serotonin receptor antagonists, there are very few investigations related to understanding their structure-activity relationships. In this study, we report the screening of a library of 4-phenyl quinoline derivatives for their antiproliferative activities. Preliminary docking studies indicated that these ligands had the ability to bind to two of the serotonin. receptors, 5-HT1B and 5-HT2B. The results of the in silico experiments were validated by performing in vitro studies on MCF-7 breast cancer cell line. The ethylpiperazine derivatives showed maximum toxicity against this cancer cell line. The compounds inhibited Calcium ion efflux (induced by serotonin) and ERK activation. One of the most active 4-phenyl quinoline derivatives (H3a) also induced apoptosis, thereby, suggesting the use of this scaffold as a potential anticancer drug. (C) 2017 Elsevier Masson SAS. All rights reserved.1 aJoshi, Pranaya, V.1 aSayed, Alim, A.1 aRaviKumar, Ameeta1 aPuranik, Vedavati, G.1 aZinjarde, Smita, S. uhttps://library.ncl.res.in/content/4-phenyl-quinoline-derivatives-potential-serotonin-receptor-ligands-antiproliferative02087nas a2200229 4500008004100000245008000041210006900121260000800190300001400198490000800212520133400220100002601554700002001580700002101600700001701621700001601638700002501654700002601679700002701705700001901732856010601751 2017 eng d00aBiosurfactant surfactin as a kinetic promoter for methane hydrate formation0 aBiosurfactant surfactin as a kinetic promoter for methane hydrat cMAY a5011-50170 v1053 aIn the present study, the effect of the biosurfactant Surfactin on methane hydrate formation kinetics was studied. Initially, several marine derived species were screened for the presence of Surfactin. The polymerase chain reaction technique was used as the preliminary screening step for Surfactin which was then followed up by a couple of different assays to provide conclusive evidence of the same. Based on these tests, the D-9 bacterial strain was identified as a producer of Surfactin. Once the presence of Surfactin had been proven, its effect on methane hydrate formation kinetics was investigated upon by carrying out hydrate formation experiments in a stirred tank reactor. The cell free supernatant containing Surfactin was itself used as the hydrate forming solution without any further processing. It was found that the presence of Surfactin in the system greatly enhances hydrate formation kinetics as compared to pure water. In fact the kinetics in presence of Surfactin also surpassed that obtained with 1 wt% SDS, the most commonly used synthetic kinetic hydrate promoter. This basic study can pave the way for more sophisticated research on the use of biosurfactants as kinetic promoters with a view on rapid methane hydrate formation kinetics for applications such as methane separation, storage and transport.1 aBhattacharjee, Gaurav1 aBarmecha, Vivek1 aPradhan, Darshan1 aNaik, Rajesh1 aZare, Kirti1 aMawlankar, Rahul, R.1 aDastager, Syed, Gulam1 aKushwaha, Omkar, Singh1 aKumar, Rajnish uhttps://library.ncl.res.in/content/biosurfactant-surfactin-kinetic-promoter-methane-hydrate-formation01796nas a2200253 4500008004100000022001400041245013300055210006900188260000800257300001200265490000600277520091200283653002401195653001601219653002801235653002701263653000901290100002401299700002801323700002301351700001701374700002401391856012701415 2017 eng d a2168-048500aEnvironmentally benign bioderived carbon microspheres-supported molybdena nanoparticles as catalyst for the epoxidation reaction0 aEnvironmentally benign bioderived carbon microspheressupported m cJAN a904-9100 v53 a

A one pot synthesis of molybdenum oxide nanoparticles (NPs supported on bioderived carbon microspheres is reported. The catalyst was synthesized by the low temperature hydrothermal (LTH) method using D-glucose and bagasse as the carbon source. The carbonization of bagasse resulted in the formation of nonuniform carbon microspheres while glucose resulted in uniform carbon spheres. SEM and STEM elemental mapping show the uniform distribution of molybdenum oxide NPs over the carbon microspheres. XPS spectroscopy confirmed that molybdenum was in the Mo6+ oxidation state. The 1% MoO3 supported on carbon microspheres derived from D-glucose showed excellent catalytic activity up to 100% olefin conversion with 100% epoxide selectivity using organic tent-butyl hydroperoxide as an oxidant. The catalyst was successfully used for up to five cycles without losing substantial activity and selectivity.

10aCarbon microspheres10aepoxidation10aheterogeneous catalysis10aHydrothermal synthesis10aTBHP1 aDoke, Dhananjay, S.1 aUmbarkar, Shubhangi, B.1 aGawande, Manoj, B.1 aZbori, Radek1 aBiradar, Ankush, V. uhttps://library.ncl.res.in/content/environmentally-benign-bioderived-carbon-microspheres-supported-molybdena-nanoparticles02946nas a2200337 4500008004100000245008600041210006900127260000800196300001200204490000800216520197300224653001002197653001702207653001302224653001702237653002202254653002902276653000902305653002202314653002302336100001302359700001502372700001302387700001302400700001302413700001902426700001402445700002002459700001502479856011402494 2017 eng d00aGold nanoconjugates reinforce the potency of conjugated cisplatin and doxorubicin0 aGold nanoconjugates reinforce the potency of conjugated cisplati cDEC a254-2640 v1603 aOsteosarcoma or osteogenic sarcoma is the most common and prevalent cancerous tumor of bone and occurs especially in children and teens. Recent treatment strategy includes a combination of both chemotherapy and surgeries. Although, the use of single drug-based chemotherapy treatment remains unsatisfactory. Therefore, combinatorial therapy has emerged as a potential strategy for treatment with limited side- effects. Here, we evaluated the combinatorial anticancerous effect of cisplatin (CIS) and doxorubicin (DOX) bioconjugated bromelain encapsulated gold nanoparticles (B-AuNPs conjugated CIS and DOX) in the treatment of osteosarcoma. The synthesized B-AuNPs conjugated CIS and DOX were characterized by various characterization techniques like UV–vis spectroscopy, TEM, DLS and zeta potential to ensure the synthesis, size, shape, size distribution and stability. Drug loading efficiency bioconjugation of CIS and DOX was ensured by UV–vis spectroscopy. Bioconjugation of CIS and DOX was further confirmed using UV–vis spectroscopy, TEM, DLS, Zeta potential and FT-IR analysis. The combinatorial effect of CIS and DOX in B-AuNPs conjugated CIS and DOX showed highly improved potency against MG-63 and Saos-2 cells at a very low concentration where primary osteoblasts didn't show any cytotoxic effect. The apoptotic effect of B-AuNPs conjugated CIS and DOX on osteosarcoma and primary osteoblasts cells were analyzed by increased permeability of the cell membrane, condensed chromatin and deep blue fluorescent condensed nucleus. The results clearly showed that B-AuNPs conjugated CIS and DOX significantly improved the potency of both the chemotherapeutic drugs by delivering them specifically into the nucleus of cancer cells through caveolae-dependent endocytosis. Thus, the greater inhibitory effect of combinatorial drugs (B-AuNPs conjugated CIS and DOX) over single drug based chemotherapy would be of great advantage during osteosarcoma treatment. 10acells10achemotherapy10aCytology10aCytotoxicity10aDrug interactions10adynamic light scattering10aGold10aMolecular Biology10aPlatinum Compounds1 aIram, S.1 aZahera, M.1 aKhan, S.1 aKhan, I.1 aSyed, A.1 aAnsary, A., A.1 aAmeen, F.1 aShair, O., H. M1 aKhan, M.S. uhttps://library.ncl.res.in/content/gold-nanoconjugates-reinforce-potency-conjugated-cisplatin-and-doxorubicin01788nas a2200193 4500008004100000245017200041210006900213260000800282520098400290100002401274700001701298700002601315700001901341700002701360700002401387700002201411700002901433856013201462 2017 eng d00aHigh quality hybrid perovskite semiconductor thin films with remarkably enhanced luminescence and defect suppression via quaternary alkyl ammonium salt based treatment0 aHigh quality hybrid perovskite semiconductor thin films with rem cJUL3 aSignificant enhancement in the luminescence and superior photophysical properties of CH3NH3PbBr3 thin films prepared via simple single step spin coating process involving a novel additive mediated solvent extraction step is reported. This process results in significantly lower disorder in CH3NH3PbBr3 perovskites with Urbach energies reducing from ≈35 to ≈17 meV, which is the lowest reported value to date. The additive mediated process also results in a remarkable improvement in the photoluminescence quantum yields (PLQYs) from 1% to 30%. Coupled with the overall increase in surface roughness, a significant increase in the internal PLQY from 7% to 77% is estimated, indicating the superior quality of the treated thin films. The resultant high quality CH3NH3PbBr3 perovskites with remarkable photophysical properties can be used in realizing highly efficient optoelectronic devices. Highly efficient light emitting diodes using these perovskites are demonstrated here.1 aNaphade, Rounak, A.1 aZhao, Baodan1 aRichter, Johannes, M.1 aBooker, Edward1 aKrishnamurthy, Shrreya1 aFriend, Richard, H.1 aSadhanala, Aditya1 aOgale, Satishchandra, B. uhttps://library.ncl.res.in/content/high-quality-hybrid-perovskite-semiconductor-thin-films-remarkably-enhanced-luminescence-and02362nas a2200181 4500008004100000245019000041210006900231260000800300300001400308490000700322520161900329100002401948700001901972700001801991700002602009700002002035856012502055 2017 eng d00aStimulation of d - and l -lactate dehydrogenases transcriptional levels in presence of diammonium hydrogen phosphate resulting to enhanced lactic acid production by Lactobacillus strain0 aStimulation of d and l lactate dehydrogenases transcriptional le cAUG a1389-17230 v173 aThe present study revealed the effect of nitrogen sources on lactic acid production and stimulation of d- and l-lactate dehydrogenases (LDH) of parent Lactobacillus lactis NCIM 2368 and its mutant RM2-24 generated after UV mutagenesis. Both the parent and mutant strains were evaluated for d-lactic acid production in control and modified media. The modified media did not show remarkable effect on lactic acid production in case of parent whereas mutant exhibited significant enhancement in d-lactic acid production along with the appearance of l-lactic acid in the broth. Both LDH activities and specific activities were found to be higher in mutant than the parent strain. These results suggested that the diammonium hydrogen phosphate in modified media triggered the expression of LDH genes leading to enhanced lactic acid production. This observation has been proved by studying the expression levels of d- and l-LDH genes of parent and mutant in control and modified media using quantitative RT-PCR technique. In case of mutant, the transcriptional levels of d-LDH and l-LDH increased ∼17 fold and ∼1.38 fold respectively in modified medium compared to the values obtained with control medium. In case of parent, no significant change in transcriptional levels of d- and l-LDH was found when the cells were grown in either control medium or modified medium. This study suggested that the mutant, RM2-24 has l-LDH gene which is expressed in presence of (NH4)2HPO4 resulting in l-lactic acid production. Co-production of l-lactic acid in d-lactic acid fermentation may be detrimental in the PLA production.1 aSinghvi, Mamata, S.1 aZendo, Takeshi1 aIida, Hiroshi1 aGokhale, Digambar, V.1 aSonomoto, Kenji uhttps://library.ncl.res.in/content/stimulation-d-and-l-lactate-dehydrogenases-transcriptional-levels-presence-diammonium01167nas a2200241 4500008004100000022001500041245009200056210006900148260000800217300001400225490000700239520040200246100001700648700002100665700001900686700001900705700001900724700001600743700001600759700001600775700001600791856011800807 2018 eng d a 0887-624X00a Balancing antimicrobial performance with hemocompatibility in amphiphilic homopolymers0 aBalancing antimicrobial performance with hemocompatibility in am cNOV a2391-23960 v563 aThis work establishes amphiphilic polymethacrylates as new antimicrobial candidates that can be synthesized through a combination of controlled free radical polymerization and sequential postpolymerization modification protocols. When conjugated with a polyethylene glycol segment, the block copolymers exhibit a balanced performance between high antibacterial activity and high hemocompatibility.1 aZhu, Zhiyuan1 aJeong, Gookyeong1 aKim, Seung-Jin1 aGadwal, Ikhlas1 aChoe, Youngson1 aBang, Joona1 aOh, Min-Kyu1 aKhan, Anzar1 aRao, Jingyi uhttps://library.ncl.res.in/content/balancing-antimicrobial-performance-hemocompatibility-amphiphilic-homopolymers02827nas a2200409 4500008004100000022001500041245009200056210006900148260000800217490000600225520153200231100002301763700002801786700002501814700002001839700001501859700002501874700002401899700002801923700001801951700002301969700001801992700002302010700001802033700002102051700001802072700002602090700002402116700002702140700002302167700002802190700002002218700001702238700002402255700001802279856012002297 2018 eng d a 2235-298800aCSGID solves structures and identifies phenotypes for five enzymes in toxoplasma gondii0 aCSGID solves structures and identifies phenotypes for five enzym cOCT0 v83 a

Toxoplasma gondii, an Apicomplexan parasite, causes significant morbidity and mortality, including severe disease in immunocompromised hosts and devastating congenital disease, with no effective treatment for the bradyzoite stage. To address this, we used the Tropical Disease Research database, crystallography, molecular modeling, and antisense to identify and characterize a range of potential therapeutic targets for toxoplasmosis. Phosphoglycerate mutase II (PGMII), nucleoside diphosphate kinase (NDK), ribulose phosphate 3-epimerase (RPE), ribose-5-phosphate isomerase (RPI), and ornithine aminotransferase (OAT) were structurally characterized. Crystallography revealed insights into the overall structure, protein oligomeric states and molecular details of active sites important for ligand recognition. Literature and molecular modeling suggested potential inhibitors and druggability. The targets were further studied with vivoPMO to interrupt enzyme synthesis, identifying the targets as potentially important to parasitic replication and, therefore, of therapeutic interest. Targeted vivoPMO resulted in statistically significant perturbation of parasite replication without concomitant host cell toxicity, consistent with a previous CRISPR/Cas9 screen showing PGM, RPE, and RPI contribute to parasite fitness. PGM, RPE, and RPI have the greatest promise for affecting replication in tachyzoites. These targets are shared between other medically important parasites and may have wider therapeutic potential.

1 aLykins, Joseph, D.1 aFilippova, Ekaterina, V1 aHalavaty, Andrei, S.1 aMinasov, George1 aZhou, Ying1 aDubrovska, Ievgeniia1 aFlores, Kristin, J.1 aShuvalova, Ludmilla, A.1 aRuan, Jiapeng1 aBissati, Kamal, El1 aDovgin, Sarah1 aRoberts, Craig, W.1 aWoods, Stuart1 aMoulton, Jon, D.1 aMoulton, Hong1 aMcphillie, Martin, J.1 aMuench, Stephen, P.1 aFishwick, Colin, W. G.1 aSabini, Elisabetta1 aShanmugam, Dhanasekaran1 aRoos, David, S.1 aMcleod, Rima1 aAnderson, Wayne, F.1 aNgo, Huan, M. uhttps://library.ncl.res.in/content/csgid-solves-structures-and-identifies-phenotypes-five-enzymes-toxoplasma-gondii02089nas a2200289 4500008004100000022001400041245011400055210006900169260000900238300001200247490000800259520111300267653001401380653001801394653002001412653003401432653004901466653001301515653001701528100001801545700001901563700002201582700001701604700002201621700002501643856013101668 2018 eng d a0144-861700aElectrospinning of non-ionic cellulose ethers/polyvinyl alcohol nanofibers: characterization and applications0 aElectrospinning of nonionic cellulose etherspolyvinyl alcohol na cFEB  a175-1820 v1813 a

The morphology of spin-coated films and electrospun fibers of ethyl hydroxy ethyl cellulose (EHEC), hydrophobically modified ethyl hydroxy ethyl cellulose (HM-EHEC) and their blends with Poly(vinyl alcohol) (PVA) was examined by AFM, SEM and contact angle measurements. These polysaccharides upon blending with PVA exhibited smooth surface which was evidenced by Atomic Force Microscopy (AFM) observation. The electrospinnability of above polysaccharides with PVA was demonstrated for the first time. The oriented fibers could be obtained using a rotating disc collector. Contact angles of spin-coated films and electrospun fibers were discussed in terms of hydrophobicity and wetting characteristics. Further, The nanofibers of EHEC/PVA were in-situ crosslinked using citric acid and were used for controlled release of an antibacterial drug, Chlorhexidine Digluconate (ChD). In-vitro studies of cytotoxicity, cell growth and cell proliferation were performed using L929 mouse fibroblast cells. These nanofiber mats show potential in drug delivery and as scaffolds in tissue engineering applications.

10acellulose10adrug delivery10aelectrospinning10aEthyl hydroxy ethyl cellulose10aHydrophobically modified ethyl hydroxy ethyl10ascaffold10aSpin coating1 aWali, Ashwini1 aZhang, Yucheng1 aSengupta, Poulomi1 aHigaki, Yuji1 aTakahara, Atsushi1 aBadiger, Manohar, V. uhttps://library.ncl.res.in/content/electrospinning-non-ionic-cellulose-etherspolyvinyl-alcohol-nanofibers-characterization-and01935nas a2200205 4500008004100000245010300041210006900144260000800213300001000221490000800231520124200239100002501481700001301506700001601519700001501535700001801550700002001568700001601588856012501604 2018 eng d00a Enhanced selectivity of 3-D ordered macroporous Pt/Al2O3 catalysts in nitrites removal from water0 aEnhanced selectivity of 3D ordered macroporous PtAl2O3 catalysts cAUG a26-320 v5643 aTailored macroporous mesoporous alumina supports have been successfully prepared using a single hard templating approach. Pt nanoparticles, showing similar physico-chemical properties, were homogeneously dispersed throughout the different alumina frameworks as catalytic active phase for drinking water treatment. We demonstrated that careful modification of pore properties of the catalyst (size and connectivity) by pseudomorphic transformation can strongly modulate the reaction rate and selectivity through the limited access to Pt active sites within the alumina porous particles. Specifically, 3-D Ordered Macroporous Pt-Al2O3 catalysts with a high degree of interconnectivity yield to superior catalytic properties (enhanced activity and selectivity) over pure mesoporous counterparts in the hydrogenation of nitrites in water. We found that large pores (240 nm) interconnected with windows (110 nm) alleviate mass transfer limitations and clearly improve NZ selectivity. The findings of this study further suggest the possibility of engineering the pore architecture of the support to fine tune the selectivity for a particular reaction rather than investigating more on tuning the properties of the costly active metallic phase.1 aSekhar, A., C. Sunil1 aZaki, A.1 aTroncea, S.1 aCasale, S.1 aVinod, C., P.1 aDacquin, J., P.1 aGranger, P. uhttps://library.ncl.res.in/content/enhanced-selectivity-3-d-ordered-macroporous-ptal2o3-catalysts-nitrites-removal-water02213nas a2200145 4500008004100000245011800041210006900159260000800228520162300236100002401859700001901883700002201902700002001924856012301944 2018 eng d00aGreener L-lactic acid production through in situ extractive fermentation by an acid-tolerant Lactobacillus strain0 aGreener Llactic acid production through in situ extractive ferme cMAY3 aLactic acid (LA) fermentation requires a neutralizer for a physiologically acceptable range. However, a neutralizer generates a large amount of gypsum, an environmental pollutant. Furthermore, the downstream processing is complicated and expensive, comprising 50–70% of the total cost. We previously developed a Lactobacillus delbrueckii FM1, which can produce undissociated LA without neutralizer. Here, we improved FM1 by adaptive evolution at pH 4.5, which generated Adp FM1 showing an ~ 1.80-fold increase in LA production compared to FM1. The LA production via fed-batch fermentation yielded 36.2 g/L of LA, with a productivity of 0.500 g/L/h. However, cell viability was reduced due to the acidic pH and/or end-product inhibition. Therefore, an in situ LA recovery process using an extractive solvent was employed to maintain cell viability. Adp FM1 produced 49.2 g/L of LA via in situ LA-extractive fed-batch fermentation, which was ~ 1.4-fold higher than that without LA extraction. Adp FM1 provided a total LA productivity of 0.512 g/L/h in 96 h. Among the tested strains, Adp FM1 exhibited the highest H⁺-ATPase activity and a 415-fold increase in H⁺-ATPase gene expression compared to the parent strain. These results suggest that the in situ LA extractive fermentation process will ease downstream processing and prove to be a more economical and environmentally friendly option compared to the present fermentation. To our knowledge, this is the first report on the production of undissociated L-LA by Lactobacillus using an in situ recovery process, with high LA production levels and productivity.1 aSinghvi, Mamata, S.1 aZendo, Takeshi1 aGokhale, Digambar1 aSonomoto, Kenji uhttps://library.ncl.res.in/content/greener-l-lactic-acid-production-through-situ-extractive-fermentation-acid-tolerant02639nas a2200265 4500008004100000022001400041245006800055210006800123260000800191300001300199490000700212520181400219100002002033700001802053700002102071700001702092700002102109700002002130700001902150700002902169700002502198700001802223700003202241856010002273 2018 eng d a1369-378600aLimonene inhibits Candida albicans growth by inducing apoptosis0 aLimonene inhibits Candida albicans growth by inducing apoptosis cJUL a 565-5780 v563 a

Anti-Candida potential of limonene was evaluated against planktonic growth, biofilm (adhesion, development and maturation) and morphogenesis of Candida albicans in this study. Limonene is a major constituent of citrus oil and most frequently used terpene in food and beverage industry due to its pleasant fragrance, nontoxic, and is generally recognized as safe (GRAS) flavoring agent as well as treatment option in many gastrointestinal diseases. Limonene exhibited excellent anti-Candida activity and was equally effective against planktonic growth of C. albicans isolates differentially susceptible to FLC (N = 35). Limonene inhibited morphogenesis significantly at low concentration. However, it showed stage dependent activity against biofilm formation, that is, it was more effective against adhesion followed by development and maturation. Limonene also exhibited excellent synergy with FLC against planktonic and biofilm growth. SWATH-MS analysis led to identification of limonene responsive proteins that provided molecular insight of its anti-Candida activity. Proteomic analysis revealed upregulation of proteins involved in cell wall glucan synthesis (Kre6); oxidative stress (Rhr2, Adh7 and Ebp1); DNA damage stress (Mbf1 and Npl3); nucleolar stress (Rpl11, Rpl7, Rpl29, Rpl15) and down regulation of cytoskeleton organization (Crn1, Pin3, Cct8, Rbl2), and so forth, in response to limonene. Limonene mediated down regulation of Tps3 indicates activation of caspase (CaMca1) and induction of apoptosis in C. albicans. These results suggest that limonene inhibits C. albicans growth by cell wall/membrane damage induced oxidative stress that leads to DNA damage resulting into modulation of cell cycle and induction of apoptosis through nucleolar stress and metacaspase dependent pathway.

1 aThakre, Archana1 aZore, Gajanan1 aKodgire, Santosh1 aKazi, Rubina1 aMulange, Shradha1 aPatil, Rajendra1 aShelar, Amruta1 aSanthakumari, Bayitigeri1 aKulkarni, Mahesh, J.1 aKharat, Kiran1 aKaruppayil, Sankunny, Mohan uhttps://library.ncl.res.in/content/limonene-inhibits-candida-albicans-growth-inducing-apoptosis00697nas a2200217 4500008004100000245007200041210006900113260000800182300001400190490001000204100002200214700001300236700001900249700001700268700001600285700001400301700002000315700002200335700001900357856010300376 2018 eng d00aNi-Catalyzed dimerization and hydroperfluoroarylation of 1,3-dienes0 aNiCatalyzed dimerization and hydroperfluoroarylation of 13dienes cAUG a9267-92770 v 83 1 aIwasaki, Takanori1 aMin, Xin1 aFukuoka, Asuka1 aZhu, Longzhi1 aQiu, Renhua1 aYang, Tao1 aEhara, Masahiro1 aSudalai, Arumugam1 aKambe, Nobuaki uhttps://library.ncl.res.in/content/ni-catalyzed-dimerization-and-hydroperfluoroarylation-13-dienes02462nas a2200277 4500008004100000022001400041245015600055210006900211260000900280300001200289490000800301520151800309653001401827653000901841653003201850653001401882653002201896653002401918100001701942700002001959700002001979700001601999700002102015700002202036856012602058 2018 eng d a0360-544200aOptimization of the in situ transesterification step for biodiesel production using biomass of Yarrowia lipolytica NCIM 3589 grown on waste cooking oil0 aOptimization of the in situ transesterification step for biodies cJAN  a944-9520 v1423 a

The in situ (one-step) acid-catalyzed transesterification step for conversion to biodiesel of biomass from oleaginous yeast Yarrowia lipolytica grown on waste cooking oil (WCO) is studied. The process yield of biodiesel was optimized by investigating effects of various parameters, namely, biomass, methanol, chloroform, catalyst, temperature, time and sonication. A Plackett-Burman statistical design of experiments revealed that biomass is the most significant factor influencing biodiesel (FAME, fatty acid methyl ester) production. Subsequently, a one variable design (OVD) of experiments for increased biomass loadings showed higher yields of FAME with no additional requirement of reactants, solvents or special equipment. The biomass grown on WCO had a lipid productivity of 0.042 g L-1 h(-1) and 4 g of this loading gave a high FAME yield of 0.88 gin 8 hat 50 degrees C with methanol: chloroform (10:1) and acid catalyst (0.2 M H2SO4,1.0 ml g(-1)). The FAME profile had desirable amounts of saturated (32.81%), monounsaturated (36.41%), polyunsaturated (30.59%) methyl esters. The predicted and experimentally determined physico-chemical properties of FAME were found in accordance with specified international standards. Thus, the direct one-pot in situ transesterification reaction using Y. lipolytica biomass grown on WCO provides a high yield of biodiesel with potential applicability while simultaneously addressing the management of this pollutant. (C) 2017 Elsevier Ltd. All rights reserved.

10aBiodiesel10aFAME10aIn situ transesterification10aOne -step10aWaste cooking oil10aYarrowia lipolytica1 aKatre, Gouri1 aRaskar, Shubham1 aZinjarde, Smita1 aKumar, Ravi1 aKulkarni, B., D.1 aRaviKumar, Ameeta uhttps://library.ncl.res.in/content/optimization-situ-transesterification-step-biodiesel-production-using-biomass-yarrowia02579nas a2200373 4500008004100000022001400041245014800055210006900203260000800272300000700280490000600287520135500293100001401648700001801662700001601680700002001696700001901716700003101735700002401766700002301790700002401813700002201837700002001859700002001879700002101899700002101920700002801941700001901969700002201988700002602010700002302036700002202059856012402081 2018 eng d a2047-753800aRepeated photoporation with graphene quantum dots enables homogeneous labeling of live cells with extrinsic markers for fluorescence microscopy0 aRepeated photoporation with graphene quantum dots enables homoge cAUG a470 v73 a

In the replacement of genetic probes, there is increasing interest in labeling living cells with high-quality extrinsic labels, which avoid over-expression artifacts and are available in a wide spectral range. This calls for a broadly applicable technology that can deliver such labels unambiguously to the cytosol of living cells. Here, we demonstrate that nanoparticle-sensitized photoporation can be used to this end as an emerging intracellular delivery technique. We replace the traditionally used gold nanoparticles with graphene nanoparticles as photothermal sensitizers to permeabilize the cell membrane upon laser irradiation. We demonstrate that the enhanced thermal stability of graphene quantum dots allows the formation of multiple vapor nanobubbles upon irradiation with short laser pulses, allowing the delivery of a variety of extrinsic cell labels efficiently and homogeneously into live cells. We demonstrate high-quality time-lapse imaging with confocal, total internal reflection fluorescence (TIRF), and Airyscan super-resolution microscopy. As the entire procedure is readily compatible with fluorescence (super resolution) microscopy, photoporation with graphene quantum dots has the potential to become the long-awaited generic platform for controlled intracellular delivery of fluorescent labels for live-cell imaging.

1 aLiu, Jing1 aXiong, Ranhua1 aBrans, Toon1 aLippens, Saskia1 aParthoens, Eef1 aZanacchi, Francesca, Cella1 aMagrassi, Raffaella1 aSingh, Santosh, K.1 aKurungot, Sreekumar1 aSzunerits, Sabine1 aBove, Hannelore1 aAmeloot, Marcel1 aFraire, Juan, C.1 aTeirlinck, Eline1 aSamal, Sangram, Keshari1 aDe Rycke, Riet1 aHouthaeve, Gaelle1 aDe Smedt, Stefaan, C.1 aBoukherroub, Rabah1 aBraeckmans, Kevin uhttps://library.ncl.res.in/content/repeated-photoporation-graphene-quantum-dots-enables-homogeneous-labeling-live-cells02763nas a2200289 4500008004100000022001400041245013200055210006900187260000800256300001000264490000800274520177900282653001302061653002102074653002202095653004402117653001802161653003002179653001802209100001802227700002102245700002102266700002002287700002502307700001802332856012302350 2018 eng d a1874-391900aSerum responsive proteome reveals correlation between oxidative phosphorylation and morphogenesis in Candida albicans ATCC102310 aSerum responsive proteome reveals correlation between oxidative  cAUG a25-380 v1853 a

To understand the impact of fetal bovine serum (FBS) on metabolism and cellular architecture in addition to morphogenesis, we have identified FBS responsive proteome of Candida albicans. FBS induced 34% hyphae and 60% pseudohyphae in C. albicans at 30 C while 98% hyphae at 37 C. LC-MS/MS analysis revealed that 285 proteins modulated significantly in response to FBS at 30 degrees C and 37 degrees C. Out of which 152 were upregulated and 62 were downregulated at 30 degrees C while 18 were up and 53 were downregulated at 37 degrees C. Functional annotation suggests that FBS may inhibit glycolysis and fermentative pathway and enhance oxidative phosphorylation (OxPhos), TCA cycle, amino acid and fatty acid metabolism indicating a use of alternative energy source by C. albicans. OxPhos inhibition assay using sodium azide corroborated the correlation between inhibition of glycolysis and enhanced OxPhos with pseudohyphae formation. C. albicans induced hyphae in response to FBS irrespective of down regulation of Rasl,Asrl/Asr2, indicates the possible involvement of MAPK and cAMP-PKA independent pathway. The Cell wall of cells grown in presence of FBS at 30 degrees C was rich in mannan, Beta 1,3glucan and chitin while membranes were rich in ergosterol compared to those grown at 37 degrees C. Significance of the study: This is the first study suggesting a correlation between OxPhos and morphogenesis especially pseudohyphae formation in C. albicans. Our data also indicate that fetal bovine serum (FBS) induced morphogenesis is multifactorial and may involve MAPK and cAMP-PKA independent pathway. In addition to morphogenesis, our study provides an insight in to the modulation of metabolism and cellular architecture of C. albicans in response to FBS.

10aanalysis10aCandida albicans10aFetal bovin serum10aLiquid chromatography mass spectrometry10amorphogenesis10aOxidative phosphorylation10apathogenicity1 aAhmed, Radfan1 aKodgire, Santosh1 aSanthakumari, B.1 aPatil, Rajendra1 aKulkarni, Mahesh, J.1 aZore, Gajanan uhttps://library.ncl.res.in/content/serum-responsive-proteome-reveals-correlation-between-oxidative-phosphorylation-and01865nas a2200553 4500008004100000022001500041245008800056210006900144260000800213300001200221490000800233520022300241100001800464700001700482700003000499700002200529700001900551700002000570700002400590700002500614700002100639700001700660700002700677700002500704700002000729700002000749700001900769700002800788700001900816700002000835700002500855700001800880700002100898700002200919700002100941700002000962700001600982700001700998700002101015700002001036700002001056700001701076700001901093700002001112700001801132700002501150700001901175856011701194 2018 eng d a0022-2631 00aUnderstanding conformational dynamics of complex lipid mixtures relevant to biology0 aUnderstanding conformational dynamics of complex lipid mixtures  cDEC a609-6310 v2513 aThis is a perspective article entitled "Frontiers in computational biophysics: understanding conformational dynamics of complex lipid mixtures relevant to biology" which is following a CECAM meeting with the same name.1 aFriedman, Ran1 aKhalid, Syma1 aAponte-Santamaria, Camilo1 aArutyunova, Elena1 aBecker, Marlon1 aBoyd, Kevin, J.1 aChristensen, Mikkel1 aCoimbra, Joao, T. S.1 aConcilio, Simona1 aDaday, Csaba1 avan Eerden, Floris, J.1 aFernandes, Pedro, A.1 aGraeter, Frauke1 aHakobyan, Davit1 aHeuer, Andreas1 aKarathanou, Konstantina1 aKeller, Fabian1 aLemieux, Joanne1 aMarrink, Siewert, J.1 aMay, Eric, R.1 aMazumdar, Antara1 aNaftalin, Richard1 aPickholz, Monica1 aPiotto, Stefano1 aPohl, Peter1 aQuinn, Peter1 aRamos, Maria, J.1 aSchiott, Birgit1 aSengupta, Durba1 aSessa, Lucia1 aVanni, Stefano1 aZeppelin, Talia1 aZoni, Valeria1 aBondar, Ana-Nicoleta1 aDomene, Carmen uhttps://library.ncl.res.in/content/understanding-conformational-dynamics-complex-lipid-mixtures-relevant-biology02638nas a2200253 4500008004100000022001400041245013500055210006900190260000800259300001200267490000800279520176200287653002702049653001602076653002302092653001502115653002802130100002102158700002202179700001702201700002002218700002002238856012602258 2019 eng d a0964-830500aBiodegradation of squalene and n-hexadecane by Gordonia amicalis HS-11 with concomitant formation of biosurfactant and carotenoids0 aBiodegradation of squalene and nhexadecane by Gordonia amicalis  cAUG a172-1810 v1423 a

Gordonia amicalis HS-11 has been enriched from a hydrocarbon contaminated tropical soil sample. The ability of this organism to utilize a triterpenic polyunsaturated hydrocarbon, squalene (2,6,10,15,19,23-hexamethyl-6,6,10,14,18,20-tetracosahexane) and the model saturated hydrocarbon n-hexadecane is described here. The isolate degraded squalene and n-hexadecane (79 +/- 3.02 and 96 +/- 4.11%, respectively) after eight days of incubation. The isolate produced an extracellular biosurfactant that reduced surface tension from 69 +/- 2.83 to 40 +/- 1.63 and 35 +/- 2.34 mN m(-1) with squalene and n-hexadecane as carbon sources, respectively, after 6 days. The Actinomycete cleaved squalene to geranylacetone and famesyl acetaldehyde that were further utilized for supporting growth. n-Hexadecane was degraded via monoterminal oxidation and activities of important enzymes (alkane hydroxylase and alcohol dehydrogenase) were highest (215 +/- 8.76 and 169 +/- 6.02 units mg(-1) protein, respectively) after four days. Cells grown on squalene were short and with n-hexadecane there were clumps of longer cells. Squalene and n-hexadecane-grown cell surfaces were smooth possibly due to extracellular surface active compounds. While growing on hydrophobic substrates, some cells were seen adhering to droplets and others were in the free form. The culture was able to simultaneously degrade hydrocarbons and produce two commercially relevant value-added products. The yield of the extracellular biosurfactant on n-hexadecane was 480 mg l(-1) and cells grown on squalene and n-hexadecane also yielded carotenoids (2.3 +/- 0.14 and 2.9 +/- 0.10 mg g(-1) dry cell weight, respectively). This is the first report on the utilization of squalene by Gordonia.

10aAerobic biodegradation10aCarotenoids10aCatabolic pathways10aEmulsifier10aGordonia amicalis HS-111 aSowani, Harshada1 aDeshpande, Ashish1 aGupta, Vidya1 aKulkarni, Mohan1 aZinjarde, Smita uhttps://library.ncl.res.in/content/biodegradation-squalene-and-n-hexadecane-gordonia-amicalis-hs-11-concomitant-formation02928nas a2200193 4500008004100000245013200041210006900173260000800242300001200250490000700262520224300269100001302512700001402525700001502539700001602554700001702570700001902587856012802606 2019 eng d00aDiscovery of a novel oxadiazine derivative of glucocorticoids endowed with DNA binding activities and molecular docking studies0 aDiscovery of a novel oxadiazine derivative of glucocorticoids en cAPR a536-5460 v133 a

A series of new glucocorticoid oxadiazines (4-6) were synthesized by reacting glucocorticoids (1-3) with thiosemicarbazide and its derivatives. The structural assignment of products is confirmed on the basis of IR, H-1 NMR, C-13 NMR, MS and analytical data. The synthesized compounds (4-6) obeyed the Lipinski's "Rule of Five" analysis based on a computational prediction of molecular and pharmacokinetic properties. The interaction studies of compounds (4-6) with DNA were carried out by employing single-cell gel electrophoresis (comet assay), UV-vis and fluorescence spectroscopy. Compounds (4-6) were found capable of cellular DNA degradation breakage in isolated normal human lymphocytes. Viscometric and steady-state measurements further correlated with the comet assay studies. Hence, it could be suggested that the glucocorticoid compounds bearing a core oxadiazine scaffold would be a potent biological agent. Molecular docking studies further characterize the interaction of the synthesized compounds with DNA.

1 aSultanat1 aAli, Abad1 aAsif, Mohd1 aRizvi, Asim1 aFarhan, Mohd1 aZaman, Shamsuz uhttps://library.ncl.res.in/content/discovery-novel-oxadiazine-derivative-glucocorticoids-endowed-dna-binding-activities-and01129nas a2200229 4500008004100000245012400041210006900165260000800234520028600242100001500528700002500543700001600568700002700584700002200611700001900633700001900652700002300671700001800694700003100712700002400743856013200767 2019 eng d00aDraft genome sequence of freshwater-derived streptomyces sp. strain BPSDS2, isolated from damte stream, northeast India0 aDraft genome sequence of freshwaterderived streptomyces sp strai cOCT3 a

We report the draft genome sequence of Streptomyces sp. strain BPSDS2, isolated from freshwater sediments in Northeast India. The draft genome has a size of 8.27 Mb and 7,559 protein-coding sequences.

1 aZothanpuia1 aPassari, Ajit, Kumar1 aDeka, Vinay1 aRajput, Lakshmi, P. M.1 aPriya, Purbajyoti1 aDharne, Mahesh1 aDastager, Syed1 aMathew, Oommen, K.1 aHashem, Abeer1 aAllah, Elsayed, Fathi Abd_1 aSingh, Bhim, Pratap uhttps://library.ncl.res.in/content/draft-genome-sequence-freshwater-derived-streptomyces-sp-strain-bpsds2-isolated-damte-stream02366nas a2200397 4500008004100000022001400041245013600055210006900191260000800260300000900268490000700277520113700284100002401421700002701445700001601472700001801488700002001506700001901526700002101545700002201566700001701588700001601605700001601621700002201637700001601659700001801675700001701693700001801710700001601728700001601744700001701760700002301777700002001800700001901820856012901839 2019 eng d a2041-172300aPathways to defense metabolites and evading fruit bitterness in genus Solanum evolved through 2-oxoglutarate-dependent dioxygenases0 aPathways to defense metabolites and evading fruit bitterness in  cNOV a51690 v103 a

The genus Solanum comprises three food crops (potato, tomato, and eggplant), which are consumed on daily basis worldwide and also producers of notorious anti-nutritional steroidal glycoalkaloids (SGAs). Hydroxylated SGAs (i.e. leptinines) serve as precursors for leptines that act as defenses against Colorado Potato Beetle (Leptinotarsa decemlineata Say), an important pest of potato worldwide. However, SGA hydroxylating enzymes remain unknown. Here, we discover that 2-OXOGLUTARATE-DEPENDENT-DIOXYGENASE (2-ODD) enzymes catalyze SGA-hydroxylation across various Solanum species. In contrast to cultivated potato, Solanum chacoense, a widespread wild potato species, has evolved a 2-ODD enzyme leading to the formation of leptinines. Furthermore, we find a related 2-ODD in tomato that catalyzes the hydroxylation of the bitter a-tomatine to hydroxytomatine, the first committed step in the chemical shift towards downstream ripening-associated non-bitter SGAs (e.g. esculeoside A). This 2-ODD enzyme prevents bitterness in ripe tomato fruit consumed today which otherwise would remain unpleasant in taste and more toxic.

1 aCardenas, Pablo, D.1 aSonawane, Prashant, D.1 aHeinig, Uwe1 aJozwiak, Adam1 aPanda, Sayantan1 aAbebie, Bekele1 aKazachkova, Yana1 aPliner, Margarita1 aUnger, Tamar1 aWolf, Dalia1 aOfner, Itai1 aVilaprinyo, Ester1 aMeir, Sagit1 aDavydov, Olga1 aGal-On, Amit1 aBurdman, Saul1 aGiri, Ashok1 aZamir, Dani1 aScherf, Tali1 aSzymanski, Jedrzej1 aRogachev, Ilana1 aAharoni, Asaph uhttps://library.ncl.res.in/content/pathways-defense-metabolites-and-evading-fruit-bitterness-genus-solanum-evolved-through-202321nas a2200241 4500008004100000022001400041245005900055210005800114260000800172300001400180490000800194520161100202653001801813653001801831653001801849653001301867653002501880653002001905100002001925700002101945700002001966856009301986 2019 eng d a1364-507200aPolylactic acid: synthesis and biomedical applications0 aPolylactic acid synthesis and biomedical applications cDEC a1612-16260 v1273 a

Social and economic development has driven considerable scientific and engineering efforts on the discovery, development and utilization of polymers. Polylactic acid (PLA) is one of the most promising biopolymers as it can be produced from nontoxic renewable feedstock. PLA has emerged as an important polymeric material for biomedical applications on account of its properties such as biocompatibility, biodegradability, mechanical strength and process ability. Lactic acid (LA) can be obtained by fermentation of sugars derived from renewable resources such as corn and sugarcane. PLA is thus an eco-friendly nontoxic polymer with features that permit use in the human body. Although PLA has a wide spectrum of applications, there are certain limitations such as slow degradation rate, hydrophobicity and low impact toughness associated with its use. Blending PLA with other polymers offers convenient options to improve associated properties or to generate novel PLA polymers/blends for target applications. A variety of PLA blends have been explored for various biomedical applications such as drug delivery, implants, sutures and tissue engineering. PLA and their copolymers are becoming widely used in tissue engineering for function restoration of impaired tissues due to their excellent biocompatibility and mechanical properties. The relationship between PLA material properties, manufacturing processes and development of products with desirable characteristics is described in this article. LA production, PLA synthesis and their applications in the biomedical field are also discussed.

10aBiocompatible10abiodegradable10adrug delivery10aimplants10al- and d-lactic acid10apolylactic acid1 aSinghvi, M., S.1 aZinjarde, S., S.1 aGokhale, D., V. uhttps://library.ncl.res.in/content/polylactic-acid-synthesis-and-biomedical-applications02124nas a2200265 4500008004100000022001400041245015100055210006900206260000800275300001400283490000600297520118300303100002201486700003101508700002201539700001901561700002201580700001801602700002001620700002601640700002401666700001801690700002101708856012901729 2020 eng d a2058-968900aAntibacterial properties of glycosylated surfaces: variation of the glucosidal moiety and fatty acid conformation of grafted microbial glycolipids0 aAntibacterial properties of glycosylated surfaces variation of t cAUG a1307-13160 v53 a

Glycosylated surfaces can display antimicrobial properties. It has been shown that sophorolipids can be used to develop biocidal coatings against Gram-positive and Gram-negative bacteria, but with a limited efficiency so far. Therefore, it appears necessary to further investigate the surface antibacterial activity of a broader set of structurally related glycolipids. The present work explores the influence of the glucosidic moiety (gluco-, sophoro-, cellobio-) and the fatty acid backbone (saturated,cisortransmonounsaturated). We show that the fatty acid backbone plays an important role:cisderivative of sophorolipids (SL) grafted onto model gold surfaces has better biocidal properties than saturated (SL0) andtransmonounsaturated (SLt) molecules, which appear to be inefficient. The number of glucose units is also a key factor: a one-third decrease in antibacterial activity is observed when having one glucose unit (GL) compared to two (SL). Sugar acetylation (SLa) does not seem to have an impact on the biocidal properties of surfaces. These results are not limited to sophorolipids, with cellobioselipids (CL) leading to similar antibacterial observations.

1 aValotteau, Claire1 aRoelants, Sophie, L. K. V.1 aDhasaiyan, Prabhu1 aZibek, Susanne1 aGuenther, Michael1 aSoetaert, Wim1 aEveraert, Bernd1 aPradier, Claire-Marie1 aBabonneau, Florence1 aBaccile, Niki1 aHumblot, Vincent uhttps://library.ncl.res.in/content/antibacterial-properties-glycosylated-surfaces-variation-glucosidal-moiety-and-fatty-acid01926nas a2200253 4500008004100000022001400041245011500055210006900170260000800239300000900247490000700256520106700263100001801330700001901348700002301367700002201390700002301412700001901435700001801454700001901472700002801491700002401519856012901543 2020 eng d a2041-172300aDistinct metabolic states of a cell guide alternate fates of mutational buffering through altered proteostasis0 aDistinct metabolic states of a cell guide alternate fates of mut cJUN a29260 v113 a

Metabolic changes alter the cellular milieu; can this also change intracellular protein folding? Since proteostasis can modulate mutational buffering, if change in metabolism has the ability to change protein folding, arguably, it should also alter mutational buffering. Here we find that altered cellular metabolic states in E. coli buffer distinct mutations on model proteins. Buffered-mutants have folding problems in vivo and are differently chaperoned in different metabolic states. Notably, this assistance is dependent upon the metabolites and not on the increase in canonical chaperone machineries. Being able to reconstitute the folding assistance afforded by metabolites in vitro, we propose that changes in metabolite concentrations have the potential to alter protein folding capacity. Collectively, we unravel that the metabolite pools are bona fide members of proteostasis and aid in mutational buffering. Given the plasticity in cellular metabolism, we posit that metabolic alterations may play an important role in cellular proteostasis.

1 aVerma, Kanika1 aSaxena, Kanika1 aDonaka, Rajashekar1 aChaphalkar, Aseem1 aRai, Manish, Kumar1 aShukla, Anurag1 aZaidi, Zainab1 aDandage, Rohan1 aShanmugam, Dhanasekaran1 aChakraborty, Kausik uhttps://library.ncl.res.in/content/distinct-metabolic-states-cell-guide-alternate-fates-mutational-buffering-through-altered02206nas a2200205 4500008004100000022001400041245011300055210006900168260000800237300001400245490000700259520151000266100001701776700002201793700001401815700001601829700001101845700001501856856012901871 2020 eng d a1463-926200aFunctionalized magnetic nanosized materials for efficient biodiesel synthesis via acid-base/enzyme catalysis0 aFunctionalized magnetic nanosized materials for efficient biodie cMAY a2977-30120 v223 a

According to the principles of green chemistry, the rapid recovery and reuse of catalysts after a catalytic reaction are important factors to realize the sustainable management of chemical production processes. The functionalization of magnetic nanoparticles is the basis for the efficient separation of heterogeneous catalysts from the reaction system by using the magnetic separation technology as well as for effectively bridging heterogeneous and homogeneous catalytic processes. This can considerably improve the production efficiency and reduce energy consumption as well. Owing to important applications as a potential biofuel or fuel additive, the synthesis of biodiesel mainly from low-cost biomass feedstocks has received considerable attention in the current biorefinery research. A simple synthesis process coupled with the application of functionalized magnetic catalysts can remarkably reduce the production cost and minimize waste generation, thereby promoting the potential development of green catalytic processes for the large-scale synthesis of biodiesel. In this review, the preparation methods, structural and performance control, and protection and functionalization of magnetic nanoparticles as well as the consequent catalytic effects in the synthesis of biodiesel (mainly long-chain fatty acid methyl esters) have been reported. In addition, various representative reaction mechanisms are discussed, emphasizing the existing challenges and prospects of industrialization.

1 aWang, Anping1 aSudarsanam, Putla1 aXu, Yufei1 aZhang, Heng1 aLi, Hu1 aYang, Song uhttps://library.ncl.res.in/content/functionalized-magnetic-nanosized-materials-efficient-biodiesel-synthesis-acid-baseenzyme01734nas a2200277 4500008004100000022001400041245008800055210006900143260000800212300001100220490000700231520084400238653002101082653001601103653001401119653002301133100002401156700002201180700002501202700002201227700001601249700002601265700001901291700002801310856011801338 2020 eng d a0960-894X00aNovel cilengitide-based cyclic RGD peptides as alpha nu beta(3) integrin inhibitors0 aNovel cilengitidebased cyclic RGD peptides as alpha nu beta3 int cAPR a1270390 v303 a

In this letter, we report a series of five new RGD-containing cyclic peptides as potent inhibitors to alpha nu beta(3) integrin protein. We have incorporated various unnatural lipophilic amino acids into the cyclic RGD framework of cilengitide, which is selective for alpha nu beta(3) integrin. All the newly synthesized cyclic peptides were evaluated in vitro solid phase binding assay and investigated for their binding behaviour towards integrin subtypes. All the cyclic peptides were synthesized in excellent yield following solution-phase coupling strategy. The cyclic RGD peptides 1a-e exhibited IC50 of 9.9, 5.5, 72, 11 and 3.3 nM, respectively, towards a alpha nu beta(3) integrin protein. This finding offers further opportunities for the introduction unusual amino acids into the cyclic peptide framework of cilengitide.

10aAnticancer drugs10aCilengitide10aIntegrins10aRGD cyclicpeptides1 aMeena, Chhuttan, L.1 aSingh, Dharmendra1 aWeinmueller, Michael1 aReichart, Florian1 aDangi, Abha1 aMarelli, Udaya, Kiran1 aZahler, Stefan1 aSanjayan, Gangadhar, J. uhttps://library.ncl.res.in/content/novel-cilengitide-based-cyclic-rgd-peptides-alpha-nu-beta3-integrin-inhibitors02239nas a2200349 4500008004100000022001400041245008800055210006900143260000800212300001000220490000700230520115700237653002001394653002901414653001601443653001601459653001901475653001901494100003201513700002101545700002501566700003001591700002001621700001701641700001801658700001601676700001801692700002001710700001901730700002401749856011601773 2020 eng d a1573-413700aRecent advances in plant nanobionics and nanobiosensors for toxicology applications0 aRecent advances in plant nanobionics and nanobiosensors for toxi cJAN a27-410 v163 a

Emerging applications in the field of nanotechnology are able to solve a gamut of problems surrounding the applications of agroecosystems and food technology. Nano Engineered Material (NEM) based nanosensors are important tools for monitoring plant signaling pathways and metabolism that arc nondestructive, minimally invasive, and can provide real-time analysis of biotic and abiotic threats for better plant health. These sensors can measure chemical flux even at the single molecule level. Therefore, plant health could be monitored through nutrient management, disease assessment, plant hormones level, environmental pollution, etc. This review provides a comprehensive account of the current trends and practices for the proposed NEM related research and its (i) structural aspect, (ii) experimental design and performance as well as (iii) mechanisms of field application in agriculture and food system. This review also discusses the possibility of integration of data from NEM based nanosensors in current and emerging trends of precision agriculture, urban farming, and plant nanobionics to adopt a sustainable approach in agriculture,

10aagro-ecosystems10aengineered nanomaterials10ananobionics10aNanosensors10ananotechnology10ananotoxicology1 aAnsari, Mohammad, Hasan Dad1 aLavhale, Santosh1 aKalunke, Raviraj, M.1 aSrivastava, Prabhakar, L.1 aPandit, Vaibhav1 aGade, Subodh1 aYadav, Sanjay1 aLaux, Peter1 aLuch, Andreas1 aGemmati, Donato1 aZamboni, Paolo1 aSingh, Ajay, Vikram uhttps://library.ncl.res.in/content/recent-advances-plant-nanobionics-and-nanobiosensors-toxicology-applications03127nas a2200409 4500008004100000022001400041245009300055210006900148260000900217300001200226490000700238520193200245653001602177653001702193653001102210653002602221653001702247653001202264100001602276700002102292700001402313700001402327700001602341700001602357700001702373700001502390700001502405700001602420700003002436700002102466700002902487700003002516700002102546700001502567700001602582856011902598 2021 eng d a1478-322300aBiological process of lysine-tRNA charging is therapeutically targetable in liver cancer0 aBiological process of lysinetRNA charging is therapeutically tar cJAN  a206-2190 v413 a

Background & Aims Mature transfer RNAs (tRNA) charged with amino acids decode mRNA to synthesize proteins. Dysregulation of translational machineries has a fundamental impact on cancer biology. This study aims to map the tRNAome landscape in liver cancer patients and to explore potential therapeutic targets at the interface of charging amino acid with tRNA. Methods Resected tumour and paired tumour-free (TFL) tissues from hepatocellular carcinoma (HCC) patients (n = 69), and healthy liver tissues from organ transplant donors (n = 21), HCC cell lines, and cholangiocarcinoma (CC) patient-derived tumour organoids were used. Results The expression levels of different mature tRNAs were highly correlated and closely clustered within individual tissues, suggesting that different members of the tRNAome function cooperatively in protein translation. Interestingly, high expression of tRNA-Lys-CUU in HCC tumours was associated with more tumour recurrence (HR 1.1;P = .022) and worse patient survival (HR 1.1;P = .0037). The expression of Lysyl-tRNA Synthetase (KARS), the enzyme catalysing the charge of lysine to tRNA-Lys-CUU, was significantly upregulated in HCC tumour tissues compared to tumour-free liver tissues. In HCC cell lines, lysine deprivation, KARS knockdown or treatment with the KARS inhibitor cladosporin effectively inhibited overall cell growth, single cell-based colony formation and cell migration. This was mechanistically mediated by cell cycling arrest and induction of apoptosis. Finally, these inhibitory effects were confirmed in 3D cultured patient-derived CC organoids. Conclusions The biological process of charging tRNA-Lys-CUU with lysine sustains liver cancer cell growth and migration, and is clinically relevant in HCC patients. This process can be therapeutically targeted and represents an unexplored territory for developing novel treatment strategies against liver cancer.

10aCladosporin10aliver cancer10alysine10aLysyl-tRNA Synthetase10atRNA-Lys-CUU10atRNAome1 aZhang, Ruyi1 aNoordam, Lisanne1 aOu, Xumin1 aMa, Buyun1 aLi, Yunlong1 aDas, Pronay1 aShi, Shaojun1 aLiu, Jiaye1 aWang, Ling1 aLi, Pengfei1 aVerstegen, Monique, M. A.1 aReddy, Srinivasa1 avan Der Laan, Luc, J. W.1 aPeppelenbosch, Maikel, P.1 aKwekkeboom, Jaap1 aSmits, Ron1 aPan, Qiuwei uhttps://library.ncl.res.in/content/biological-process-lysine-trna-charging-therapeutically-targetable-liver-cancer02217nas a2200289 4500008004100000022001400041245007500055210006900130260000900199300001400208490000700222520131600229653001501545653002201560653002101582653002301603653001801626100001901644700001901663700001801682700002501700700002001725700002001745700003101765700003001796856010101826 2021 eng d a1861-472800a Flexible energy harvester from an organic ferroelectric ammonium salt0 aFlexible energy harvester from an organic ferroelectric ammonium cDEC  a4122-41290 v163 aOrganic ferroelectrics due to their low cost, easy preparation, light weight, high flexibility and phase stability are gaining tremendous attention in the field of portable electronics. In this work, we report the synthesis, structure and ferroelectric behavior of a two-component ammonium salt 2, containing a bulky [Bn(4-BrBn)NMe2](+) (Bn=benzyl and 4-BrBn=4-bromobenzyl) cation and tetrahedral (BF4)(-) anion. The structural analysis revealed the presence of rich non-classical C-H...F and C-H...Br interactions in this molecule that were quantified by Hirshfeld surface analysis. The polarization (P) vs. electric field (E) hysteresis loop measurements on 2 gave a remnant polarization (P-r) of 14.4 mu C cm(-2) at room temperature. Flexible polymer composites with various (5, 10, 15 and 20) weight percentages (wt%) of 2 in thermoplastic polyurethane (TPU) were prepared and tested for mechanical energy harvesting applications. A notable peak-to-peak output voltage of 20 V, maximum current density of 1.1 mu A cm(-2) and power density of 21.1 mu W cm(-2) were recorded for the 15 wt% 2-TPU composite device. Furthermore, the voltage output generated from this device was utilized to rapidly charge a 100 mu F capacitor, with stored energies and measured charges of 156 mu J and 121.6 mu C, respectively.10aDielectric10aenergy harvesting10aferroelectricity10aorganic composites10apiezoelectric1 aGupta, Rishabh1 aSahoo, Supriya1 aDeswal, Swati1 aKothavade, Premkumar1 aDixit, Prashant1 aZareba, Jan, K.1 aShanmuganathan, Kadhiravan1 aBoomishankar, Ramamoorthy uhttps://library.ncl.res.in/content/flexible-energy-harvester-organic-ferroelectric-ammonium-salt03094nas a2200301 4500008004100000022001400041245008000055210006900135260000800204300001200212490000700224520220800231653001402439653001602453653002002469653001302489653001502502653001202517100002002529700002302549700001702572700001902589700002002608700001802628700001802646700002202664856010602686 2021 eng d a1369-378600aOxidative stress induced by piperine leads to apoptosis in Candida albicans0 aOxidative stress induced by piperine leads to apoptosis in Candi cAPR a366-3780 v593 a

Candida albicans is a member of pathogens with potential drug resistance threat that needs novel chemotherapeutic strategies. Considering the multifarious biological activities including bioenhancer activity, anti-Candida potential of piperine was evaluated against planktonic/biofilm and hyphal growth of C. albicans alone or in combination as a synergistic agent with fluconazole. Piperine inhibits planktonic growth at or less than 15 mu g/ml, hyphae induction at 5 mu g/ml concentration, and exhibits stage-dependent activity against biofilm growth of a fluconazole-resistant strain of C. albicans (ATCC10231). Though piperine couldn't kill inoculum completely at minimum inhibitory concentration (MIC), it is fungicidal at higher concentrations, as shown in apoptosis assay. FIC index values indicate that piperine exhibits excellent synergistic activity with fluconazole against planktonic (0.123) and biofilm (0.215) growth of an FLC resistant strain. Mode of anti-Candida activity was studied by identifying piperine responsive proteins wherein the abundance of 25 proteins involved in stress response, signal transduction and cell cycle were modulated (22 up and 3 downregulated) significantly in response to piperine (MIC50). Modulation of the proteins involved suggests that piperine affectsmembrane integrity leading to oxidative stress followed by cell cycle arrest and apoptosis in C. albicans. Flow cytometry-basedmitochondrialmembrane potential (MMP), cell cycle and apoptosis assay, as well as real-time quantitative polymerase chain reaction analysis of selected genes, confirms piperine induced oxidative stress (TRR1), cell cycle arrest and apoptosis (CaMCA1). Based on our results, we conclude that piperine inhibits planktonic and difficult-to treat-biofilm growth of C. albicans by affecting membrane integrity thereby inducing oxidative stress and apoptosis. Lay Abstract Piperine inhibit Candida albicans growth (planktonic and biofilm) significantly in our study. Piperine exhibits excellent synergistic potential with fluconazole The proteome analysis suggests that piperine induced membrane damage leads to oxidative stress followed by cell cycle arrest and apoptosis.

10aApoptosis10aC. albicans10adrug resistance10apiperine10aproteomics10asynergy1 aThakre, Archana1 aJadhav, Vyankatesh1 aKazi, Rubina1 aShelar, Amruta1 aPatil, Rajendra1 aKharat, Kiran1 aZore, Gajanan1 aKaruppayil, Mohan uhttps://library.ncl.res.in/content/oxidative-stress-induced-piperine-leads-apoptosis-candida-albicans01674nas a2200217 4500008004100000022001400041245007800055210006900133260000800202300001400210490000700224520100000231100001601231700001901247700001601266700001801282700001101300700002201311700001501333856010801348 2021 eng d a1463-926200aRoom-temperature quasi-catalytic hydrogen generation from waste and water0 aRoomtemperature quasicatalytic hydrogen generation from waste an cOCT a7528-75330 v233 aA solvation-driven catalyst-free H-2 generation system from water and various waste hydrosilanes at room temperature was developed, with good to quantitative H-2 yields in minutes. Using a green solvent is found to promote the strong coordination of proton carriers with hydrosilane to liberate H-2 based on molecular dynamics simulations. Theoretical calculations clarify that OH(-)in situ generated from H2O enabled by solvation is favorable for activating the Si-H species of hydrosilane, and the in situ formed Si-OH interacts more effectively with the adjacent remaining Si-H, both contributing to the overall enhanced H-2 generation. Moreover, the overall life-cycle impacts of the developed system are less than those of industrial H-2 production processes, especially in ozone layer depletion and abiotic depletion resources - fossil fuels. This protocol realizes the potential of efficiently producing H-2 from waste and water, and opens a new avenue to alleviate petroleum consumption.1 aWu, Hongguo1 aZhang, Li-Long1 aWang, Junqi1 aJiang, Yiyuan1 aLi, Hu1 aSudarsanam, Putla1 aYang, Song uhttps://library.ncl.res.in/content/room-temperature-quasi-catalytic-hydrogen-generation-waste-and-water02065nas a2200265 4500008004100000245011200041210006900153260000800222300001100230490000600241520121800247653002601465653001401491653002801505653001801533653001501551100001501566700002201581700001501603700001701618700001601635700001101651700001501662856012201677 2021 eng d00aSulfonic acid-functionalized heterogeneous catalytic materials for efficient biodiesel production: a review0 aSulfonic acidfunctionalized heterogeneous catalytic materials fo cFEB a1047190 v93 a

The development of social productive forces leads to the increasing consumption of fossil fuels. However, the burning of traditional fossil fuels releases huge amounts of carbon emissions into the atmosphere, resulting in drastically increased global surface temperatures, and hence, global warming and abnormal climate change. Biodiesel, which can be produced by (trans)esterification of bio-oils using solid acid catalysts, is recognized as renewable and clean energy, alternative to fossil-derived diesel, and it can meet society's requirements. This review describes the catalytic conversion of bio-derived oils into biodiesel using various sulfonic acid-functionalized heterogeneous catalytic materials that show higher catalytic efficiency and superior recyclability. Besides, various methods of biodiesel preparation and the appropriate design and preparation of robust and efficient catalytic materials for biodiesel production were provided. Finally, the mechanisms of different catalytic esterification and transesterification reactions for biodiesel synthesis, the relevant reaction kinetic models, and techno-economic analysis of biodiesel production were critically discussed in this review.

10a(Trans)esterification10aBiodiesel10aheterogeneous catalysis10akinetic study10asolid acid1 aTan, Xiang1 aSudarsanam, Putla1 aTan, Jinyu1 aWang, Anping1 aZhang, Heng1 aLi, Hu1 aYang, Song uhttps://library.ncl.res.in/content/sulfonic-acid-functionalized-heterogeneous-catalytic-materials-efficient-biodiesel01115nas a2200181 4500008004100000022001400041245015600055210006900211260000900280300001400289490000700303520040700310100002500717700002100742700002600763700002100789856012300810 2021 eng d a1523-706000aTuning of alpha-silyl carbocation reactivity into enone transposition: application to the synthesis of peribysin D, E-volkendousin, and E-guggulsterone0 aTuning of alphasilyl carbocation reactivity into enone transposi cSEP  a6642-66470 v233 aA reliable method for enone transposition has been developed with the help of silyl group masking. Enantio-switching, substituent shuffling, and Z-selectivity are the highlights of the method. The developed method was applied for the first total synthesis of peribysin D along with its structural revision. Formal synthesis of E-guggulsterone and E-volkendousin was also claimed using a short sequence.1 aAthawale, Paresh, R.1 aZade, Vishal, M.1 aKrishna, Gamidi, Rama1 aReddy, Srinivasa uhttps://library.ncl.res.in/content/tuning-alpha-silyl-carbocation-reactivity-enone-transposition-application-synthesis02992nas a2200349 4500008004100000022001400041245010700055210006900162260000900231300001100240490000700251520191400258653000902172653001402181653001602195653001502211653001302226100001502239700001402254700002202268700002402290700002002314700001902334700002202353700001802375700002202393700002302415700002502438700002602463700002202489856013102511 2021 eng d a2234-943X00aUnbiased phenotype-based screen identifies therapeutic agents selective for metastatic prostate cancer0 aUnbiased phenotypebased screen identifies therapeutic agents sel cMAR  a5941410 v103 a

In American men, prostate cancer is the second leading cause of cancer-related death. Dissemination of prostate cancer cells to distant organs significantly worsens patients' prognosis, and currently there are no effective treatment options that can cure advanced-stage prostate cancer. In an effort to identify compounds selective for metastatic prostate cancer cells over benign prostate cancer cells or normal prostate epithelial cells, we applied a phenotype-based in vitro drug screening method utilizing multiple prostate cancer cell lines to test 1,120 different compounds from a commercial drug library. Top drug candidates were then examined in multiple mouse xenograft models including subcutaneous tumor growth, experimental lung metastasis, and experimental bone metastasis assays. A subset of compounds including fenbendazole, fluspirilene, clofazimine, niclosamide, and suloctidil showed preferential cytotoxicity and apoptosis towards metastatic prostate cancer cells in vitro and in vivo. The bioavailability of the most discerning agents, especially fenbendazole and albendazole, was improved by formulating as micelles or nanoparticles. The enhanced forms of fenbendazole and albendazole significantly prolonged survival in mice bearing metastases, and albendazole-treated mice displayed significantly longer median survival times than paclitaxel-treated mice. Importantly, these drugs effectively targeted taxane-resistant tumors and bone metastases - two common clinical conditions in patients with aggressive prostate cancer. In summary, we find that metastatic prostate tumor cells differ from benign prostate tumor cells in their sensitivity to certain drug classes. Taken together, our results strongly suggest that albendazole, an anthelmintic medication, may represent a potential adjuvant or neoadjuvant to standard therapy in the treatment of disseminated prostate cancer.

10abone10acarcinoma10adrug-screen10aMetastasis10aProstate1 aChung, Ivy1 aZhou, Kun1 aBarrows, Courtney1 aBanyard, Jacqueline1 aWilson, Arianne1 aRummel, Nathan1 aMizokami, Atsushi1 aBasu, Sudipta1 aSengupta, Poulomi1 aShaikh, Badaruddin1 aSengupta, Shiladitya1 aBielenberg, Diane, R.1 aZetter, Bruce, R. uhttps://library.ncl.res.in/content/unbiased-phenotype-based-screen-identifies-therapeutic-agents-selective-metastatic-prostate02525nas a2200301 4500008004100000022001400041245011100055210006900166260000800235300001200243490000700255520151500262653002701777653002801804653001701832653002701849653002701876100002101903700001701924700002201941700001801963700003601981700001402017700002302031700001902054700003002073856012002103 2022 eng d a1614-683200aIncorporating conducting polypyrrole into a polyimide COF for carbon-free ultra-high energy supercapacitor0 aIncorporating conducting polypyrrole into a polyimide COF for ca cSEP a22007540 v123 a

Redox-active covalent organic frameworks (COFs) store charges but possess inadequate electronic conductivity. Their capacitive action works by storing H+ ions in an acidic electrolyte and is typically confined to a small voltage window (0-1 V). Increasing this window means higher energy and power density, but this risks COF stability. Advantageously, COF's large pores allow the storage of polarizable bulky ions under a wider voltage thus reaching higher energy density. Here, a COF-electrode-electrolyte system operating at a high voltage regime without any conducting carbon or redox active oxides is presented. Conducting polypyrrole (Ppy) chains are synthesized within a polyimide COF to gain electronic conductivity (approximate to 10 000-fold). A carbon-free quasi-solid-state capacitor assembled using this composite showcases high pseudo-capacitance (358 mF cm(-2)@1 mA cm(-2)) in an aqueous gel electrolyte. The synergy among the redox-active polyimide COF, polypyrrole and organic electrolytes allows a wide-voltage window (0-2.5 V) leading to high energy (145 mu Wh cm(-2)) and power densities (4509 mu W cm(-2)). Amalgamating the polyimide-COF and the polypyrrole as one material minimizes the charge and mass transport resistances. Computation and experiments reveal that even a partial translation of the modules/monomers intrinsic electronics to the COF imparts excellent electrochemical activity. The findings unveil COF-confined polymers as carbon-free energy storage materials.

10acarbon free capacitors10acation-anion co-storage10aconductivity10ahigh energy capacitors10apolypyrrole doped COFs1 aHaldar, Sattwick1 aRase, Deepak1 aShekhar, Pragalbh1 aJain, Chitvan1 aVinod, Chathakudath, Prabhakara1 aZhang, En1 aShupletsov, Leonid1 aKaskel, Stefan1 aVaidhyanathan, Ramanathan uhttps://library.ncl.res.in/content/incorporating-conducting-polypyrrole-polyimide-cof-carbon-free-ultra-high-energy02906nas a2200313 4500008004100000022001400041245005000055210005000105260000900155300001100164490000800175520208100183653001202264653002102276653001402297653001002311653001502321653000702336653001502343100002202358700001802380700002102398700001802419700001702437700002002454700001802474700001802492856008202510 2022 eng d a1874-391900aProteomic profile of candida albicans biofilm0 aProteomic profile of candida albicans biofilm cAUG  a1046610 v2653 a

Candida albicans biofilms are characterized by structural and cellular heterogeneity that confers antifungal resistance and immune evasion. Despite this, biofilm formation remains poorly understood. In this study, we used proteomic analysis to understand biofilm formation in C. albicans related to morphophysiological and architectural features. LC-MS/MS analysis revealed that 64 proteins were significantly modulated, of which 31 were upregulated and 33 were downregulated. The results indicate that metabolism (25 proteins), gene expression (13 proteins), stress response (7 proteins), and cell wall (5 proteins) composition are modulated. The rate of oxidative phosphorylation (OxPhos) and biosynthesis of UDP-N-acetylglucosamine, vitamin B6, and thiamine increased, while the rate of methionine biosynthesis decreased. There was a significant modification of the cell wall architecture due to higher levels of Sun41, Pir1 and Csh1 and increased glycosylation of proteins. It was observed that C. albicans induces hyphal growth by upregulating the expression of genes involved in cAMP-PKA and MAPK pathways. This study is significant in that it suggests an increase in OxPhos and alteration of cell wall architecture that could be contributing to the recalcitrance of C. albicans cells growing in biofilms. Nevertheless, a deeper investigation is needed to explore it further.Significance: Candida sps is included in the list of pathogens with potential drug resistance threat due to the increased frequency especially colonization of medical devices, and tissues among the patients, in recent years. Significance of our study is that we are reporting traits like modulation in cell wall composition, amino acid and vitamin biosynthesis and importantly energy generation (OxPhos) etc. These traits could be conferring antifungal resistance, host immune evasion etc. and thus survival, in addition to facilitating biofilm formation. These findings are expected to prime the further studies on devising potent strategy against biofilm growth among the patients.

10aBiofilm10aCandida albicans10aCell wall10aLC-MS10aMetabolism10aMS10aproteomics1 aAbdulghani, Mazen1 aIram, Rasiqua1 aChidrawar, Priti1 aBhosle, Kajal1 aKazi, Rubina1 aPatil, Rajendra1 aKharat, Kiran1 aZore, Gajanan uhttps://library.ncl.res.in/content/proteomic-profile-candida-albicans-biofilm01902nas a2200253 4500008004100000022001400041245009800055210006900153260000800222300001100230490000800241520108800249653002001337653001601357653001701373653002601390653002001416100001601436700001101452700001801463700002201481700001501503856013001518 2022 eng d a0016-236100aProtophilic solvent-impelled quasi-catalytic CO2 valorization to formic acid and N-formamides0 aProtophilic solventimpelled quasicatalytic CO2 valorization to f cOCT a1250740 v3263 a

As a low-price and luxuriant C1 sustainable resource, CO2 has the privilege of synthesizing hydrogen carriers and valuable chemicals. However, expensive metallic and organic catalysts are often indispensable for going on wheels of the relevant reaction processes. In this work, a protophilic solvent-impelled quasi-catalytic system was developed for efficient synthesis of formic acid and various N-formamides with high yields of 76-94% via reductive CO2 functionalization under mild reaction conditions (50 ?). Direct activation of the liquid hydrosilane toward the reduction of CO2 enabled by DMSO with optimum basicity/protophilicity is the predominant reaction route among the examined interaction models, while carbonic acid potentially derived from excessive CO2 and residual water inhibits the reaction, as explicitly disclosed by theoretical calculations and isotope labeling experiments. In addition, the in situ formed O-formyl species is conductive to the cascade CO2 reduction steps, which remarkably facilitated the overall quasi-catalytic upgrading process.

10aCO2 utilization10aFormic acid10aGreen energy10aNitrogenous chemicals10aQuasi-catalysis1 aWu, Hongguo1 aLi, Hu1 aZhao, Wenfeng1 aSudarsanam, Putla1 aYang, Song uhttps://library.ncl.res.in/content/protophilic-solvent-impelled-quasi-catalytic-co2-valorization-formic-acid-and-n-formamides02301nas a2200253 4500008004100000020004100041245008500082210006900167260006500236520141300301653001501714653002201729653001501751653001901766653002501785100001601810700001801826700001801844700002101862700002001883700001201903700001201915856012001927 2022 eng d a978-1-5106-4740-4; 978-1-5106-4739-800aSkin mimicking solid optical tissue phantom fulfillment and its characterization0 aSkin mimicking solid optical tissue phantom fulfillment and its  a1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USAbSPIE3 a

Skin mimicking optical tissue phantoms are widely used in diagnostics systems for characterization, optimization, routine calibration and validation. In general, solid phantoms are more preferred in comparison to liquid phantoms. Therefore, our aim is to prepare and characterize the solid tissue phantoms having skin equivalent optical properties. In this work, we have used epoxy resin and hardener as a base material and titanium oxide (TiO2) nanoparticles and ink as a scatterer and absorber media, respectively. The total transmission (Tt), collimated transmission (Tc), and diffuse reflectance (Rd) spectra of the developed phantoms were measured with an integrating sphere installed in UV-VIS spectrometer within the wavelength range 400-700 nm. To characterize the optical properties such as absorption (mu(a)), reduced scattering (mu(s)'), and anisotropy factor (g) of the developed tissue phantoms, the numerical model based on Inverse Adding Doubling (IAD) has been used. With various concentrations of absorber and scatterer, a calibration curve was prepared. The calculated experimental optical properties from IAD matched with the predicted intrinsic optical properties of the skin. Thus, the preliminary results suggest that the recipe used in this study may be used as an alternative approach to developing skin mimicking solid optical phantom for diagnostics system applications.

10aAbsorption10aanisotropy factor10ascattering10askin mimicking10asolid tissue phantom1 aKumar, Ajay1 aHinge, Sarika1 aDixit, Hemant1 aKanawade, Rajesh1 aKulkarni, Gauri1 aChoi, B1 aZeng, H uhttps://library.ncl.res.in/content/skin-mimicking-solid-optical-tissue-phantom-fulfillment-and-its-characterization08872nas a2200229 4500008004100000245014300041210006900184260000800253300001200261490000700273520796300280653000608243653007708249653004808326100002308374700002508397700002408422700002308446700002408469700002108493856012808514 2022 eng d00aSynthesis, crystal structure and Hirshfeld surface analysis of a zinc(II) coordination polymer of 5-phenyl-1,3,4-oxa­diazole-2-thiol­ate0 aSynthesis crystal structure and Hirshfeld surface analysis of a  cAUG a794-7970 v873 a

A new zinc coordination polymer with 5-phenyl-1,3,4-oxa­diazole-2-thiol­ate, namely, catena-poly[zinc(II)-bis­(μ2-5-phenyl-1,3,4-oxa­diazole-2-thiol­ato)-κ2N3:S;κ2S:N3], [Zn(C8H5N2OS)2]n, was synthesized. The single-crystal X-ray diffraction analysis shows that the polymeric structure crystallizes in the centrosymmetric monoclinic C2/c space group. The ZnII atom is coordinated to two S and two N atoms from four crystallographically independent (L) ligands, forming zigzag chains along the [001] direction. This polymer complex forms an eight-membered [Zn–S–C–N–Zn–S–C–N] chair-like ring with two ZnII atoms and two ligand mol­ecules. On the Hirshfeld surface, the largest contributions come from the short contacts such as van der Waals forces, including H⋯H, C⋯H and S⋯H. Inter­actions including N⋯H, O⋯H and C⋯C contacts were also observed; however, their contribution to the overall stability of the crystal lattice is minor.

10a310a4-oxa­diazole-2-thiol; coordination polymer; Hirshfeld surface analysis10acrystal structure; zinc complex; 5-phenyl-11 aPirimova, Mehribon1 aTorambetov, Batirbay1 aKadirova, Shakhnoza1 aZiyaev, Abdukhakim1 aGonnade, Rajesh, G.1 aAshurov, Jamshid uhttps://library.ncl.res.in/content/synthesis-crystal-structure-and-hirshfeld-surface-analysis-zincii-coordination-polymer-502552nas a2200241 4500008004100000022001400041245014000055210006900195260000800264300001400272490000700286520167300293100001901966700003101985700002302016700001702039700002302056700002002079700002802099700003102127700003002158856012202188 2023 eng d a2051-634700a3D-printed polymer composite devices based on a ferroelectric chiral ammonium salt for high-performance piezoelectric energy harvesting0 a3Dprinted polymer composite devices based on a ferroelectric chi cJUL a3153-31610 v103 a

Three-dimensional printing (3DP) is an emerging technology to fabricate complex architectures, necessary to realize state-of-the-art flexible and wearable electronic devices. In this regard, top-performing devices containing organic ferro- and piezoelectric compounds are desired to circumvent significant shortcomings of conventional piezoceramics, e.g. toxicity and high-temperature device processibility. Herein, we report on a 3D-printed composite of a chiral ferroelectric organic salt {[Me3CCH(Me)NH3][BF4]} (1) with a biodegradable polycaprolactone (PCL) polymer that serves as a highly efficient piezoelectric nanogenerator (PENG). The ferroelectric property of 1 originates from its polar tetragonal space group P4(2), verified by P-E loop measurements. The ferroelectric domain characteristics of 1 were further probed by piezoresponse force microscopy (PFM), which gave characteristic `butterfly' and hysteresis loops. The PFM amplitude vs. drive voltage measurements gave a relatively high magnitude of the converse piezoelectric coefficient for 1. PCL polymer composites with various weight percentages (wt%) of 1 were prepared and subjected to piezoelectric energy harvesting tests, which gave a maximum open-circuit voltage of 36.2 V and a power density of 48.1 mu W cm(-2) for the 10 wt% 1-PCL champion device. Furthermore, a gyroid-shaped 3D-printed 10 wt% 1-PCL composite was fabricated to test its practical utility, which gave an excellent output voltage of 41 V and a power density of 56.8 mu W cm(-2). These studies promise the potential of simple organic compounds for building PENG devices using advanced manufacturing technologies.

1 aSahoo, Supriya1 aKothavade, Premkumar, Anil1 aNaphade, Dipti, R.1 aTorris, Arun1 aPraveenkumar, Balu1 aZareba, Jan, K.1 aAnthopoulos, Thomas, D.1 aShanmuganathan, Kadhiravan1 aBoomishankar, Ramamoorthy uhttps://library.ncl.res.in/content/3d-printed-polymer-composite-devices-based-ferroelectric-chiral-ammonium-salt-high02903nas a2200325 4500008004100000022001400041245010100055210006900156260000800225300001400233490000800247520183600255100001602091700002802107700002802135700001702163700002102180700002202201700002002223700002002243700001902263700001902282700003302301700003202334700002502366700001802391700001702409700002002426856013102446 2023 eng d a0002-786300aCovalent organic framework thin-film photodetectors from solution-processable porous nanospheres0 aCovalent organic framework thinfilm photodetectors from solution cJAN a1649-16590 v1453 a

The synthesis of homogeneous covalent organic framework (COF) thin films on a desired substrate with decent crystallinity, porosity, and uniform thickness has great potential for optoelectronic applications. We have used a solution-processable sphere transmutation process to synthesize 300 +/- 20 nm uniform COF thin films on a 2 x 2 cm2 TiO2-coated fluorine-doped tin oxide (FTO) surface. This process controls the nucleation of COF crystallites and molecular morphology that helps the nanospheres to arrange periodically to form homogeneous COF thin films. We have synthesized four COF thin films (TpDPP, TpEtBt, TpTab, and TpTta) with different functional backbones. In a close agreement between the experiment and density functional theory, the TpEtBr COF film showed the lowest optical band gap (2.26 eV) and highest excited-state lifetime (8.52 ns) among all four COF films. Hence, the TpEtBr COF film can participate in efficient charge generation and separation. We constructed optoelectronic devices having a glass/FTO/TiO2/COF-film/Au architecture, which serves as a model system to study the optoelectronic charge transport properties of COF thin films under dark and illuminated conditions. Visible light with a calibrated intensity of 100 mW cm-2 was used for the excitation of COF thin films. All of the COF thin films exhibit significant photocurrent after illumination with visible light in comparison to the dark. Hence, all of the COF films behave as good photoactive substrates with minimal pinhole defects. The fabricated out-of-plane photodetector device based on the TpEtBr COF thin film exhibits high photocurrent density (2.65 +/- 0.24 mA cm-2 at 0.5 V) and hole mobility (8.15 +/- 0.64 x10-3 cm2 V-1 S-1) compared to other as synthesized films, indicating the best photoactive characteristics.

1 aBag, Saikat1 aSasmal, Himadri, Sekhar1 aChaudhary, Sonu, Pratap1 aDey, Kaushik1 aBlaette, Dominic1 aGuntermann, Roman1 aZhang, Yingying1 aPoloz, Miroslav1 aKuc, Agnieszka1 aShelke, Ankita1 aVijayaraghavan, Ratheesh, K.1 aAjithkumar, Thalasseril, G.1 aBhattacharyya, Sayan1 aHeine, Thomas1 aBein, Thomas1 aBanerjee, Rahul uhttps://library.ncl.res.in/content/covalent-organic-framework-thin-film-photodetectors-solution-processable-porous-nanospheres01242nas a2200181 4500008004100000022001400041245009700055210007200152260000800224300001600232490000700248520057200255100002100827700002800848700002500876700002100901856013800922 2023 eng d a0022-326300aDirect deoxygenation of α-hydroxy and α,β-dihydroxy ketones using a silyl lithium reagent0 aDirect deoxygenation of αhydroxy and αβdihydroxy ketones using a cSEP a14227-142350 v883 a

A reliable method for the one-step direct deoxygenation of alpha-hydroxy ketones has been developed using a silyl lithium reagent and acetic anhydride. The method is metal-catalyst-free and does not require prefunctionalization of the hydroxy group prior to its removal. Deoxygenation of different primary, secondary, and tertiary alcohols was carried out with up to 98% isolated yield. Additionally, double deoxygenation was achieved when the present method was applied to alpha,beta-dihydroxy ketones to access the corresponding enones in a single step.

1 aZade, Vishal, M.1 aGangnale, Laxmikant, D.1 aAthawale, Paresh, R.1 aReddy, Srinivasa uhttps://library.ncl.res.in/content/direct-deoxygenation-%CE%B1-hydroxy-and-%CE%B1%CE%B2-dihydroxy-ketones-using-silyl-lithium-reagent02520nas a2200265 4500008004100000020004100041245010700082210006900189260007000258520157700328653000801905653001801913653001401931653003301945653001201978100002101990700001902011700001502030700002102045700001902066700002002085700001202105700001202117856012502129 2023 eng d a978-1-5106-5809-7; 978-1-5106-5810-300aFast normalization and despeckled method for skin optical coherence tomography image via deep learning0 aFast normalization and despeckled method for skin optical cohere a1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USAbSPIEcJUL3 a

Optical coherence tomography (OCT) is well-known for its high-resolution, non-invasive imaging modality with many medical uses, including skin imaging. Nevertheless, speckle noise limits the analytical capabilities of this imaging tool, causing deterioration in contrast and less exact detection of tissue microstructural heterogeneity. To address this issue, we proposed OCT despeckling approach by combing it with normalization to reduce the speckle noise more effectively. The proposed method contains multiple steps including phase correlation for alignment of misaligned frames, frame averaging which minimizes speckle noise, region-wise pixels normalization that helps to normalize intensity pixels, a modified BM3D filtering to suppress the white and speckle, and contrast enhancement to improve the contrast appropriately. To establish the approach, we applied 130 distinct B-scan skin OCT images and validate and evaluate the performance using qualitatively and quantitatively. Although the output obtained by the algorithm is promising, the method is time-consuming because of a series of steps. To reduce the time complexity, we also develop a supervised deep learning model by mapping between noisy-despeckled image pairs. The effectiveness and applicability of our DL approach were assessed using 130 skin OCT B-scans from various body areas taken from 45 healthy people between the ages of 20 and 60. With the support of the experimental results, we demonstrate that our DL model is capable to normalize and despeckling OCT images simultaneously.

10aCNN10adeep learning10adenoising10aOptical coherence tomography10aspeckle1 aRahaman, Jarjish1 aLukas, Brandon1 aMay, Julia1 aPuyana, Carolina1 aTsoukas, Maria1 aAvanaki, Kamran1 aChoi, B1 aZeng, H uhttps://library.ncl.res.in/content/fast-normalization-and-despeckled-method-skin-optical-coherence-tomography-image-deep02012nas a2200277 4500008004100000022001400041245012400055210006900179260000900248490000700257520104800264653002001312653002201332653001401354653002201368653001501390100002701405700001901432700002501451700002401476700001801500700002301518700003101541700003001572856013201602 2023 eng d a1433-785100a Ferroelectric aminophosphonium cyanoferrate with a large electrostrictive coefficient as a piezoelectric nanogenerator0 aFerroelectric aminophosphonium cyanoferrate with a large electro cJAN 0 v623 a

Hybrid materials possessing piezo- and ferroelectric properties emerge as excellent alternatives to conventional piezoceramics due to their merits of facile synthesis, lightweight nature, ease of fabrication and mechanical flexibility. Inspired by the structural stability of aminophosphonium compounds, here we report the first A(3)BX(6) type cyanometallate [Ph-2((PrNH)-Pr-i)(2)P](3)[Fe(CN)(6)] (1), which shows a ferroelectric saturation polarization (P-s) of 3.71 mu C cm(-2). Compound 1 exhibits a high electrostrictive coefficient (Q(33)) of 0.73 m(4) C-2, far exceeding those of piezoceramics (0.034-0.096 m(4) C-2). Piezoresponse force microscopy (PFM) analysis demonstrates the polarization switching and domain structure of 1 further confirming its ferroelectric nature. Furthermore, thermoplastic polyurethane (TPU) polymer composite films of 1 were prepared and employed as piezoelectric nanogenerators. Notably, the 15 wt % 1-TPU device gave a maximum output voltage of 13.57 V and a power density of 6.03 mu W cm(-2).

10aCyanometallates10aenergy conversion10aH-bonding10ahybrid composites10aPhosphorus1 aVijayakanth, Thangavel1 aSahoo, Supriya1 aKothavade, Premkumar1 aSharma, Vijay, Bhan1 aKabra, Dinesh1 aZareba, Jan, K. K.1 aShanmuganathan, Kadhiravan1 aBoomishankar, Ramamoorthy uhttps://library.ncl.res.in/content/ferroelectric-aminophosphonium-cyanoferrate-large-electrostrictive-coefficient-piezoelectric03041nas a2200337 4500008004100000022001400041245006500055210006400120260000800184300001200192490000700204520212500211653001302336653000602349653001002355653000702365653001102372653002102383653001102404653001202415100002202427700002202449700001902471700001902490700001702509700001902526700002002545700002302565700001802588856009702606 2023 eng d a1369-378600aOpaque cell-specific proteome of Candida albicans ATCC 102310 aOpaque cellspecific proteome of Candida albicans ATCC 10231 cJUL amyad0620 v613 a

Candida albicans, a polymorphic opportunistic pathogen of humans, can exist in different morphological forms like yeast, hyphae, pseudohyphae, chlamydospores, and white and opaque cells. Proteomic analysis of opaque form of C. albicans ATCC 10231 is carried out in the present study using microflow liquid chromatography-tandem mass spectrometry and validated using expression analysis of selected genes using reverse transcription quantitative real-time PCR and mitochondrial membrane potential assay. This is the first report identifying opaque cell-specific proteins of C. albicans. A total of 188 proteins were significantly modulated under opaque form compared to white cells, of which 110 were upregulated, and 78 were downregulated. It was observed that oxidative phosphorylation (OxPhos) and oxidative stress are enhanced in C. albicans cells growing under opaque form as proteins involved in OxPhos (Atp1, Atp3, Atp16, Atp7, Cox6, Nuc2, Qcr7, and Sdh12) and oxidative stress response (Gcs1, Gtt11, Gpx2, Sod1, Ccp1, and Lys7) were significantly upregulated. The maximum upregulation of 23.16- and 13.93-fold is observed in the cases of Ccp1 and Nuc2, respectively. The downregulation of proteins, namely Als1, Csh1, Sap9, and Rho1, determining cell surface chemistry indicates modulation in cell wall integrity and reduced adhesion of opaque cells compared to white cells. This study is significant as it is the first draft of the proteomic profile of opaque cells that suggests enhanced OxPhos, oxidative stress, and modulation in cell surface chemistry indicating reduced adhesion and cell wall integrity, which could be associated with reduced virulence in opaque form. However, a deeper investigation is needed to explore it further. Lay Summary Opaque form is one of the least studied morphological forms of Candida albicans. To the best of our knowledge, this is the first report providing opaque cell-specific proteome. It suggests enhanced oxidative phosphorylation, oxidative stress, and modulation in cell surface chemistry, which could be associated with reduced virulence in opaque form.

10aalbicans10aC10aLC-MS10aMS10aopaque10aOxidative stress10aOxPhos10aprotein1 aAbdulghani, Mazen1 aTelang, Saraswati1 aDesai, Manisha1 aKadam, Shivdas1 aKazi, Rubina1 aShelar, Amruta1 aPatil, Rajendra1 aMaurya, Radheshyam1 aZore, Gajanan uhttps://library.ncl.res.in/content/opaque-cell-specific-proteome-candida-albicans-atcc-1023102036nas a2200265 4500008004100000022001400041245008900055210006900144260000800213300001400221490000700235520109600242100003001338700002601368700001401394700003401408700001601442700002501458700004901483700003601532700003201568700002201600700003101622856011701653 2023 eng d a2041-652000aUnprecedented energy storage in metal-organic complexes via constitutional isomerism0 aUnprecedented energy storage in metalorganic complexes via const cJUN a6383-63920 v143 a

The essence of any electrochemical system is engraved in its electrical double layer (EDL), and we report its unprecedented reorganization by the structural isomerism of molecules, with a direct consequence on their energy storage capability. Electrochemical and spectroscopic analyses in combination with computational and modelling studies demonstrate that an attractive field-effect due to the molecule's structural-isomerism, in contrast to a repulsive field-effect, spatially screens the ion-ion coulombic repulsions in the EDL and reconfigures the local density of anions. In a laboratory-level prototype supercapacitor, those with beta-structural isomerism exhibit nearly 6-times elevated energy storage compared to the state-of-the-art electrodes, by delivering similar to 535 F g(-1) at 1 A g(-1) while maintaining high performance metrics even at a rate as high as 50 A g(-1). The elucidation of the decisive role of structural isomerism in reconfiguring the electrified interface represents a major step forward in understanding the electrodics of molecular platforms.

1 aKottaichamy, Alagar, Raja1 aDeebansok, Siraprapha1 aDeng, Jie1 aNazrulla, Mohammed, Azeezulla1 aZhu, Yachao1 aBhat, Zahid, Manzoor1 aDevendrachari, Mruthyunjayachari, Chattanaha1 aVinod, Chathakudath, Prabhakara1 aKotresh, Harish, Makri Nimb1 aFontaine, Olivier1 aThotiyl, Musthafa, Ottakam uhttps://library.ncl.res.in/content/unprecedented-energy-storage-metal-organic-complexes-constitutional-isomerism02862nas a2200205 4500008004100000245017400041210006900215260000800284300001200292490000700304520205400311100001702365700002502382700001902407700002502426700002202451700002802473700002402501856013102525 2024 eng d00aBlock copolymer self-assembly: exploitation of hydrogen bonding for nanoparticle morphology control via incorporation of triazine based comonomers by RAFT polymerization0 aBlock copolymer selfassembly exploitation of hydrogen bonding fo cOCT a24011290 v203 a

Synthesis of polymeric nanoparticles of controlled non-spherical morphology is of profound interest for a wide variety of potential applications. Self-assembly of amphiphilic diblock copolymers is an attractive bottom-up approach to prepare such nanoparticles. In the present work, RAFT polymerization is employed to synthesize a variety of poly(N,N-dimethylacrylamide)-b-poly[butyl acrylate-stat-GCB] copolymers, where GCB represents vinyl monomer containing triazine based Janus guanine-cytosine nucleobase motifs featuring multiple hydrogen bonding arrays. Hydrogen bonding between the hydrophobic blocks exert significant influence on the morphology of the resulting nanoparticles self-assembled in water. The Janus feature of the GCB moieties makes it possible to use a single polymer type in self-assembly, unlike previous work exploiting, e.g., thymine-containing polymer and adenine-containing polymer. Moreover, the strength of the hydrogen bonding interactions enables use of a low molar fraction of GCB units, thereby rendering it possible to use the present approach for copolymers based on common vinyl monomers for the development of advanced nanomaterials.

1 aHaque, Farah1 aThompson, Steven, W.1 aIshizuka, Fumi1 aKuchel, Rhiannon, P.1 aSingh, Dharmendra1 aSanjayan, Gangadhar, J.1 aZetterlund, Per, B. uhttps://library.ncl.res.in/content/block-copolymer-self-assembly-exploitation-hydrogen-bonding-nanoparticle-morphology-control02625nas a2200289 4500008004100000022001400041245011700055210006900172260000900241300001100250490000800261520167800269653001901947653003701966653003302003653001702036100001702053700001702070700001902087700001502106700001902121700001502140700001902155700001302174700001902187856012902206 2024 eng d a0925-838800aEfficient electrochemical synthesis of Cu 3 Si/Si hybrids as negative electrode material for lithium-ion battery0 aEfficient electrochemical synthesis of Cu 3 SiSi hybrids as nega cSEP  a1749960 v9983 a

Nanoscaling and alloying techniques for silicon -based materials are widely recognized as vital technological approaches to effectively address the challenges associated with volume expansion and poor conductivity in silicon anodes. Developing short process, cost-effective preparation methods and shape controllable silicon -based materials is expected to improve their cyclability. Herein, utilizing the superior electrical conductivity of copper metal and its stable alloy interaction with silicon, the present study introduced a simple synthetic process by incorporating nanoscale Cu 2 O into a SiO 2 dioxide matrix under a combination of hydrothermal reaction with Cu (NO 3 ) 2 as the copper source and further sintering treatment. Under the conditions of a Cu:Si molar ratio to 3:8 under 850 degrees C by 2.6 V of constant electrolsyis for 3 h, straight silicon nanowires with a cross-sectional distribution were obtained. The Cu 3 Si alloy particles were enriched around silicon nanowires. Experimental testing was conducted to evaluate the electrochemical storage capabilities of Cu 3 Si/Si nanowires, resulting in an initial specific capacity of 2630.7 mAh g -1 and an initial coulombic efficiency of 88.94%. After 100 charge -discharge cycles, the discharge specific capacity reached 1675.4 mAh g -1 , with a capacity retention rate of 66.20%. This work demonstrates the effectiveness of constructing a Cu 3 Si conductive network for solving the volume expansion and conductivity problems of Si and the distinctive Cu 3 Si/Si architecture offers an exemplary model for the design of silicon -based composite anodes for advanced lithium -ion batteries.

10aCu3Si/Si alloy10aElectrochemical storage capacity10aMolten salt electrochemistry10aSi nanowires1 aJiang, Siwei1 aCheng, Jiaxu1 aNayaka, G., P.1 aDong, Peng1 aZhang, Yingjie1 aXing, Yubo1 aZhang, Xiaolei1 aDu, Ning1 aZhou, Zhongren uhttps://library.ncl.res.in/content/efficient-electrochemical-synthesis-cu-3-sisi-hybrids-negative-electrode-material-lithium02643nas a2200313 4500008004100000022001400041245012700055210006900182260000800251300001600259490000700275520158000282653001601862653001501878653002201893653002101915653002101936100001901957700002301976700002501999700002402024700003002048700002302078700002002101700001802121700003102139700003002170856012902200 2024 eng d a1944-824400aHighly electrostrictive salt cocrystal and the piezoelectric nanogenerator application of its 3D-printed polymer composite0 aHighly electrostrictive salt cocrystal and the piezoelectric nan cMAY a26406-264160 v163 a

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

10a3D printing10acocrystals10aenergy harvesting10aferroelectricity10aPiezoelectricity1 aSahoo, Supriya1 aPanday, Rishukumar1 aKothavade, Premkumar1 aSharma, Vijay, Bhan1 aSowmiyanarayanan, Anirudh1 aPraveenkumar, Balu1 aZareba, Jan, K.1 aKabra, Dinesh1 aShanmuganathan, Kadhiravan1 aBoomishankar, Ramamoorthy uhttps://library.ncl.res.in/content/highly-electrostrictive-salt-cocrystal-and-piezoelectric-nanogenerator-application-its-3d00831nas a2200265 4500008004100000022001400041245008800055210006900143260000900212300001600221490000700237653001500244653002400259653001600283653000800299653001400307100001800321700001800339700001900357700001800376700001400394700001900408700002300427856011500450 2024 eng d a2050-748800aKinetic H2S/CO2 selectivity in an exceptionally sterically hindered amine membrane0 aKinetic H2SCO2 selectivity in an exceptionally sterically hinder cOCT  a29138-291440 v1210aAbsorption10aCOMPOSITE MEMBRANES10aGAS STREAMS10aH2S10aThin-Film1 aRao, Shraavya1 aDeng, Xuepeng1 aZou, Changlong1 aPrasad, Babul1 aHan, Yang1 aLin, Li-Chiang1 aHo, W., S. Winston uhttps://library.ncl.res.in/content/kinetic-h2sco2-selectivity-exceptionally-sterically-hindered-amine-membrane02975nas a2200181 4500008004100000245006500041210006300106260000800169490000700177520239700184100001802581700002202599700002102621700001702642700001902659700002002678856009502698 2024 eng d00aProteome dataset of Candida albicans (ATCC10231) opaque cell0 aProteome dataset of Candida albicans ATCC10231 opaque cell cJAN0 v173 a

Objectives

Candida albicans, a polymorphic yeast, is one of the most common, opportunistic fungal pathogens of humans. Among the different morphological forms, opaque form is one of the least-studied ones. This opaque phenotype is essential for mating and is also reported to be involved in colonizing the gastrointestinal tract. Considering the significance of the clinical and sexual reproduction of C. albicans, we have investigated the morphophysiological modulations in opaque form using a proteomic approach.

Data description

In the current investigation, we have used Micro-Liquid Chromatography-Mass Spectrometry (LC-MS/MS) analysis to create a protein profile for opaque-specific proteins. Whole-cell proteins from C. albicans (ATCC10231) cells that had been cultured for seven days on synthetic complete dextrose (SCD) medium in both as an opaque (test) and as a white (control) form cells were extracted, digested, and identified using LC-MS/MS. This information is meant to serve the scientific community and represents the proteome profile (SWATH Spectral Libraries) of C. albicans opaque form.

1 aZore, Gajanan1 aAbdulghani, Mazen1 aKodgire, Santosh1 aKazi, Rubina1 aShelar, Amruta1 aPatil, Rajendra uhttps://library.ncl.res.in/content/proteome-dataset-candida-albicans-atcc10231-opaque-cell00858nas a2200229 4500008004100000022001400041245013800055210006900193260000900262300001400271490000600285653002800291653001900319653002000338653002800358100002500386700001500411700002200426700002800448700002400476856012800500 2024 eng d a2637-610500aSynthesis and film formation of aqueous emulsion polymer latexes featuring hydrogen bonding via a janus guanine-cytosine base monomer0 aSynthesis and film formation of aqueous emulsion polymer latexes cMAY  a6495-65070 v610aEmulsion polymerization10aFilm formation10aHydrogenbonding10aSupramolecular networks1 aThompson, Steven, W.1 aLi, Joanna1 aSingh, Dharmendra1 aSanjayan, Gangadhar, J.1 aZetterlund, Per, B. uhttps://library.ncl.res.in/content/synthesis-and-film-formation-aqueous-emulsion-polymer-latexes-featuring-hydrogen-bonding00845nas a2200241 4500008004100000022001400041245010500055210006900160260000800229300001600237490000700253653003200260653002000292653001500312653001600327653002400343100002100367700002500388700002500413700001900438700002100457856012500478 2024 eng d a2168-048500aSynthesis of benzofuran-6-carboxylic acid, an intermediate of lifitegrast with low-carbon footprints0 aSynthesis of benzofuran6carboxylic acid an intermediate of lifit cOCT a15671-156810 v1210abenzofuran-6-carboxylicacid10adry eye disease10alife cycle10alifitegrast10aprocess development1 aZade, Vishal, M.1 aAthawale, Paresh, R.1 aKopperi, Harishankar1 aMohan, Venkata1 aReddy, Srinivasa uhttps://library.ncl.res.in/content/synthesis-benzofuran-6-carboxylic-acid-intermediate-lifitegrast-low-carbon-footprints02680nas a2200265 4500008004100000022001400041245006900055210006900124260000800193300001100201490000800212520188600220653002002106653001902126653001602145653002902161653002002190100001702210700001402227700001802241700001702259700001902276700002302295856009602318 2025 eng d a0376-738800aCarbon capture from flue gases using an integrated membrane skid0 aCarbon capture from flue gases using an integrated membrane skid cMAR a1236740 v7183 a

A prototype spiral-wound (SW) membrane module with a commercial-size diameter of 8 `' and a membrane area of 35 m(2) was fabricated using a new thin-film-composite facilitated transport membrane (FTM) scaled up to 21 `' in width by a continuous roll-to-roll coating process. This SW module was tested with an actual coal flue gas at the Center for Applied Energy Research (CAER) at the University of Kentucky, which exhibited an average CO2 permeance of 4269 GPU with a CO2/N-2 selectivity of 165 and remained stable for 100 h. The permeance and selectivity results are consistent with those determined from lab and scale-up flat-sheet samples. An integrated membrane skid was then constructed, where 2 SW membrane modules were arranged to form an enriching cascade. The 8 `'-diameter prototype SW module previously tested at CAER was installed as the primary CO2 capture stage, while a smaller SW module (5 `' diameter and 12 m(2) membrane area) was used to further enrich the CO2 to >95% purity. By using a simulated coal flue gas (13% CO2), the skid was operated at steady-state for 800 h with 91.0% of the CO2 removed from the flue gas, delivering 1.33 tonne/day CO2 product at 95.5% dry purity. The bench skid was then installed at the National Carbon Capture Center (NCCC), Wilsonville, AL and tested with an actual natural gas (NG) flue gas (8.6% CO2). 90-99% CO2 capture degrees were demonstrated during the parametric testing, and the skid was operated at steady state for 500 h cumulatively with 91.0% CO2 capture and >95% CO2 purity. A simulated natural gas combined cycle (NGCC) flue gas (4.3% CO2) slipstream was further provided by diluting the NG flue gas with air, and 90-99% CO2 capture degrees were also achieved with dry CO2 purities all above 95%. All these capture degrees and CO2 purities were in good agreement with their model predictions.

10aActual flue gas10acarbon capture10aField trial10aIntegrated membrane skid10aMembrane module1 aYang, Yutong1 aHan, Yang1 aPrasad, Babul1 aPang, Ruizhi1 aZou, Changlong1 aHo, W., S. Winston uhttps://library.ncl.res.in/content/carbon-capture-flue-gases-using-integrated-membrane-skid02859nas a2200241 4500008004100000022001400041245013900055210006900194260000800263300001600271490000700287520198900294100002102283700001902304700001902323700001902342700001802361700002802379700003102407700002002438700003002458856012902488 2025 eng d a2050-748800aHighly moisture-stable ferroelectric ammonium phosphate salt showing piezoelectric energy harvesting and rotation sensing applications0 aHighly moisturestable ferroelectric ammonium phosphate salt show cJUL a22574-225820 v133 a

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

1 aKushwaha, Vikash1 aPrajesh, Neetu1 aGopal, Animesh1 aSahoo, Supriya1 aDeswal, Swati1 aKirana, Antonysylvester1 aShanmuganathan, Kadhiravan1 aZareba, Jan, K.1 aBoomishankar, Ramamoorthy uhttps://library.ncl.res.in/content/highly-moisture-stable-ferroelectric-ammonium-phosphate-salt-showing-piezoelectric-energy02423nas a2200217 4500008004100000022001400041245014000055210006900195260000900264300001600273490000700289520161200296100001701908700002501925700001901950700003001969700002201999700002802021700002402049856013202073 2025 eng d a0024-929700aMorphology rearrangement by mixing of internally hydrogen-bonded nanoparticles comprising triazine-based amphiphilic diblock copolymers0 aMorphology rearrangement by mixing of internally hydrogenbonded  cNOV  a11611-116200 v583 a

The self-assembly of block copolymers holds significant potential for designing functional nanoparticles in materials science, nanomedicine, and nanotechnology. While the self-assembly of amphiphilic diblock copolymers is relatively well understood, the influence of specific supramolecular interactions, particularly hydrogen bonding, in directing their morphological behavior remains largely unexplored. In this study, it was demonstrated that nanoparticles self-assembled in water/DMSO (75/25 vol/vol; 2 mg/mL) comprising amphiphilic diblock copolymers with a small amount of triazine-based guanine-cytosine (GCB) motifs incorporated in the hydrophobic block can undergo spontaneous rearrangement into new morphologies on mixing. For example, mixing spheres with vesicles resulted in spontaneous transformation into worms (nanofibers), and this transformation was accelerated at elevated temperature. The hydrogen bonding motif features three complementary hydrogen bonding sites on either side of the nucleobase unit, thereby having a Janus character. Amphiphilic diblock copolymers comprising dimethyl acrylamide (hydrophilic segment) and n-butyl acrylate (hydrophobic segment) were synthesized by reversible addition-fragmentation chain transfer (RAFT) polymerization with a variable content of acrylate monomer functionalized with the Boc-protected form of the GCB motif as part of the hydrophobic segment. The present work represents a completely new approach for controlling self-assembly processes, paving the way for the design of functional nanoparticles for a range of applications.

1 aHaque, Farah1 aThompson, Steven, W.1 aIshizuka, Fumi1 avan der Tol, Joost, J. B.1 aSingh, Dharmendra1 aSanjayan, Gangadhar, J.1 aZetterlund, Per, B. uhttps://library.ncl.res.in/content/morphology-rearrangement-mixing-internally-hydrogen-bonded-nanoparticles-comprising-triazine03085nas a2200577 4500008004100000022001400041245011300055210006900168260000800237300000700245490000700252520136700259653001001626653001601636653001701652653000801669653001101677653001001688653002001698100002301718700002601741700003301767700002501800700002001825700002001845700002001865700002201885700002201907700002101929700002201950700002201972700002201994700001802016700002402034700002402058700001602082700002802098700001902126700001402145700002802159700002002187700002402207700002202231700002502253700002002278700002002298700002102318700001502339700002302354856013002377 2025 eng d a1573-388200aRecommendations for sample selection, collection and preparation for NMR-based metabolomics studies of blood0 aRecommendations for sample selection collection and preparation  cMAY a660 v213 a

BackgroundMetabolic profiling of blood metabolites, particularly in plasma and serum, is vital for studying human diseases, human conditions, drug interventions and toxicology. The clinical significance of blood arises from its close ties to all human cells and facile accessibility. However, patient-specific variables such as age, sex, diet, lifestyle and health status, along with pre-analytical conditions (sample handling, storage, etc.), can significantly affect metabolomic measurements in whole blood, plasma, or serum studies. These factors, referred to as confounders, must be mitigated to reveal genuine metabolic changes due to illness or intervention onset.Review objectiveThis review aims to aid metabolomics researchers in collecting reliable, standardized datasets for NMR-based blood (whole/serum/plasma) metabolomics. The goal is to reduce the impact of confounding factors and enhance inter-laboratory comparability, enabling more meaningful outcomes in metabolomics studies.Key conceptsThis review outlines the main factors affecting blood metabolite levels and offers practical suggestions for what to measure and expect, how to mitigate confounding factors, how to properly prepare, handle and store blood, plasma and serum biosamples and how to report data in targeted NMR-based metabolomics studies of blood, plasma and serum.

10aBlood10aMetabolites10aMetabolomics10aNMR10aPlasma10aSerum10aStandardization1 aEmwas, Abdul-Hamid1 aZacharias, Helena, U.1 aAlborghetti, Marcos, Rodrigo1 aGowda, G., A. Nagana1 aRaftery, Daniel1 aMckay, Ryan, T.1 aChang, Chung-ke1 aSaccenti, Edoardo1 aGronwald, Wolfram1 aSchuchardt, Sven1 aLeiminger, Roland1 aMerzaban, Jasmeen1 aMadhoun, Nour, Y.1 aIqbal, Mazhar1 aAlsiary, Rawiah, A.1 aShivapurkar, Rupali1 aPain, Arnab1 aShanmugam, Dhanasekaran1 aRyan, Danielle1 aRoy, Raja1 aSchirra, Horst, Joachim1 aMorris, Vanessa1 aZeri, Ana, Carolina1 aAlahmari, Fatimah1 aKaddurah-Daouk, Rima1 aSalek, Reza, M.1 aLeVatte, Marcia1 aBerjanskii, Mark1 aLee, Brian1 aWishart, David, S. uhttps://library.ncl.res.in/content/recommendations-sample-selection-collection-and-preparation-nmr-based-metabolomics-studies01868nas a2200229 4500008004100000245011600041210006900157260000800226300001200234490000700246520108600253100001901339700002301358700001801381700001801399700001901417700001801436700001601454700002001470700002001490856012801510 2025 eng d00aSANS and SAXS investigation of the melt state structure in disentangled ultrahigh molecular weight polyethylene0 aSANS and SAXS investigation of the melt state structure in disen cMAR a349-3530 v143 a

Disentangled ultrahigh molecular weight polyethylene exhibits a time-dependent increase in rheology modulus when molten. This originates from its kinetically evolving heterogeneous microstructure consisting of disentangled and entangled regions. We report a quantitative analysis of this microstructure using X-rays and neutrons that capture the signatures of these regions. We analyze the absolute intensities to obtain the volume fraction and size distribution of the disentangled domains in the melt. Employing neutrons, we follow the changes in these parameters with time. The trends are qualitatively similar to those of the previous rheological observations. Our methodology also provides an experimental verification of the theoretical report by McLeish, T. C. B. Soft Matter 2007, 3 (1), 83-87, which predicts the presence of high density disentangled domains in a low density entangled matrix. The analysis presented here is a useful instrument for unveiling the origin of differences in the properties of polymers obtained through different processing routes.

1 aSharma, Aakash1 aKruteva, Margarita1 aWillner, Lutz1 aRomano, Dario1 aPorcar, Lionel1 aDulle, Martin1 aZhou, Fuhai1 aRastogi, Sanjay1 aRichter, Dieter uhttps://library.ncl.res.in/content/sans-and-saxs-investigation-melt-state-structure-disentangled-ultrahigh-molecular-weight02521nas a2200265 4500008004100000022001400041245007300055210006900128260000800197300001400205490000600219520170800225653000901933653002001942653001801962653001701980653001901997100001802016700002002034700001802054700002702072700002402099700002702123856010502150 2025 eng d a2637-610500aThermal properties of polyethylene-grafted sheetlike silsesquioxanes0 aThermal properties of polyethylenegrafted sheetlike silsesquioxa cMAR a4290-43000 v73 a

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

10aclay10aCrystallization10aNanocomposite10aPolyethylene10asilsesquioxane1 aSharma, Vivek1 aPaulbudhe, Uday1 aGupta, Poonam1 aZalte, Akshat, Shirish1 aChikkali, Samir, H.1 aKumaraswamy, Guruswamy uhttps://library.ncl.res.in/content/thermal-properties-polyethylene-grafted-sheetlike-silsesquioxanes02374nas a2200325 4500008004100000022001400041245006100055210005400116260000800170300001200178490000700190520139900197653001901596653001401615653002701629653002101656653003101677653002201708100002201730700002601752700002501778700002001803700002101823700002201844700002201866700002201888700002601910700002301936856008901959 2025 eng d a2365-709X00aX-ray fluorescence-based spray-on ``elemental barcodes''0 aXray fluorescencebased sprayon elemental barcodes cJUL a24016870 v103 a

A novel spray-on elemental barcode technology is reported for the secure, permanent, and tamper-proof identification of polymeric and fiber-reinforced composite materials. This system utilizes the in situ reduction of metal salts to nanoparticles embedded within a polymer matrix, creating a unique barcode that is detectable through X-ray fluorescence (XRF). The barcode's composition is based on the metallic nanoparticle mixture and offers a semi-quantitative, non-destructive, and thermally stable method for material authentication. The process is straightforward, involving the manual application of metal salt solutions followed by mild heating, ensuring no significant alteration to the material's properties. The barcodes can be read through protective coatings or paints and are robust even under extreme conditions, such as high temperatures. This low-cost method does not introduce additional manufacturing steps and demonstrates significant potential for anti-counterfeiting and lifecycle tracking in various industries. Moreover, with an information density of up to 12 bits mm-1, this elemental barcode significantly surpasses the data storage capabilities of traditional optical barcodes. This approach holds promise for broad substrate applicability and can be expanded to other metals and reduction protocols, making it versatile for diverse material applications.

10aauthentication10abarcoding10aembedded nanoparticles10aepoxy thermosets10afiber-reinforced composite10ain situ reduction1 aPansare, Amol, V.1 aTerrasi, Giovanni, P.1 aPansare, Shubham, V.1 aKhairkar, Shyam1 aShedge, Amol, A.1 aZote, Santosh, W.1 aChhatre, Shraddha1 aBarbezat, Michael1 aPatil, Vishwanath, R.1 aNagarkar, Amit, A. uhttps://library.ncl.res.in/content/x-ray-fluorescence-based-spray-elemental-barcodes02277nas a2200349 4500008004100000022001400041245014800055210006900203260000800272300001100280490000700291520108500298653002201383653001801405653001701423653001601440653004001456653002201496100002401518700002401542700002201566700002601588700002201614700002001636700002701656700002901683700002301712700002201735700002001757700002401777856012601801 2026 eng d a2365-654900aMethoxy substituted furan chalcones: an insight into anti-inflammatory, antioxidant, antidiabetic, antibacterial, and molecular docking studies0 aMethoxy substituted furan chalcones an insight into antiinflamma cMAR ae057980 v113 a

A series of methoxy-substituted furan-based chalcones (5a-m) were synthesized, characterized, and evaluated for in vitro anti-inflammatory, antioxidant, antidiabetic, and antibacterial activities. Among the series, compounds 5l, 5j, 5h, 5a, 5g, 5f, 5c, 5k, and 5e showed remarkable anti-inflammatory activity when compared to diclofenac sodium. The compounds 5k, 5e, 5m, 5h, and 5l showed outstanding activity in the DPPH free radical scavenging experiment, along with remarkable ferric ion reducing power activity in comparison to standard ascorbic acid. Compounds 5l, 5m, and 5g demonstrated significant alpha amylase inhibitory activity, comparable to that of the standard drug Acarbose, suggesting their potential as effective antidiabetic agents along with a good antibacterial profile against S. aureus and E. coli. The molecular docking studies revealed that compounds 5f and 5c showed the best docking profiles with BSA, while 5l and 5m demonstrated superior binding characteristics with amylase, highlighting their potential as promising bioactive candidates.

10aAnti-inflammatory10aAntibacterial10aantidiabetic10aAntioxidant10amethoxy substituted furan chalcones10aMolecular docking1 aGhorpade, Sujay, A.1 aKulkarni, Arati, S.1 aDandge, Padma, B.1 aChaugule, Hanmant, N.1 aIngle, Snehal, S.1 aBavi, Rohit, S.1 aBhosale, Raghunath, B.1 aPeerzade, Nargisbano, A.1 aZaki, Magdi, E. A.1 aMasand, Vijay, H.1 aPatil, Nita, R.1 aJadhav, Shravan, Y. uhttps://library.ncl.res.in/content/methoxy-substituted-furan-chalcones-insight-anti-inflammatory-antioxidant-antidiabetic