00760nas a2200181 4500008004100000022001400041245011000055210006900165260009500234300001200329490000800341100002100349700001400370700001800384700002400402700002000426856013200446 2005 eng d a0003-269700aQuantitative method for normalization of transfection efficiency using enhanced green fluorescent protein0 aQuantitative method for normalization of transfection efficiency a525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USAbACADEMIC PRESS INC ELSEVIER SCIENCEcJUL a341-3440 v3421 aDandekar, D., H.1 aKumar, M.1 aLadha, J., S.1 aGanesh, Krishna, N.1 aMitra, Debashis uhttps://library.ncl.res.in/content/quantitative-method-normalization-transfection-efficiency-using-enhanced-green-fluorescent-002167nas a2200253 4500008004100000022001400041245016100055210006900216260010600285300001000391490000700401520116500408653002501573653001701598653001001615653002501625653001301650653002701663100002701690700002601717700002001743700002701763856012301790 2007 eng d a1226-923900aQuick method for isolating RNA from raw and ripe fleshy fruits as well as for co-isolating DNA and RNA from polysaccharide- and polyphenol-rich leaf tissues0 aQuick method for isolating RNA from raw and ripe fleshy fruits a aCATHOLIC UNIV KOREA, DEPT LIFE SCIENCES, PUCHON 420-743, SOUTH KOREAbBOTANICAL SOCIETY OF KOREAcFEB a60-640 v503 a

Qualitative and quantitative changes in its chemical composition make it difficult to use any single procedure for isolating good-quality RNA from fruits at various ripening stages. Although the CTAB method has eliminated some specific problems, e.g., low pH in raw fruit or high levels of polysaccharides, oligosaccharides and phenolics in raw and ripe fruits, the total time required is long and unsuitable for high throughput. Here, we successfully modified this CTAB protocol to isolate good-quality RNA from (i) fleshy fruits, especially raw and ripe mangos; (ii) the leaves of a succulent air plant; and (iii) an oligosaccharide-rich onion epidermis. This RNA proved useful for downstream transcriptomic applications, where RT-PCR followed by RACE yielded the complete open reading frame of the (mango) terpene synthase gene. We also extended the utility of this protocol to co-isolate good-quality genomic DNA from the supernatant that remained after RNA precipitation. This preparation was useful for the arbitrary primer multilocus amplification of genomic DNA as well as for single locus diversity marker amplifications of the ctDNA and mtDNA.

10aDNA-RNA co-isolation10afleshy fruit10aMango10aoligosaccharide-rich10aRipening10atranscriptomic studies1 aPandit, Sagar, Subhash1 aMitra, Sirsha, Sribas1 aGiri, Ashok, P.1 aGupta, Vidya, Shrikant uhttps://library.ncl.res.in/content/quick-method-isolating-rna-raw-and-ripe-fleshy-fruits-well-co-isolating-dna-and-rna01807nas a2200181 4500008004100000022001400041245015000055210006900205260007100274300001400345490000700359520103400366100002001400700002701420700002601447700002601473856012601499 2009 eng d a0888-588500aQuantitative structure-property relationship (QSPR) prediction of liquid viscosities of pure organic compounds employing random forest regression0 aQuantitative structureproperty relationship QSPR prediction of l a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcNOV a9708-97120 v483 a

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

1 aRajappan, Remya1 aShingade, Prashant, D.1 aNatarajan, Ramanathan1 aJayaraman, Valadi, K. uhttps://library.ncl.res.in/content/quantitative-structure-property-relationship-qspr-prediction-liquid-viscosities-pure-002235nas a2200313 4500008004100000022001400041245010900055210006900164260009200233300001200325490000700337520115100344653003101495653001701526653001601543653002801559653001601587653002201603100001401625700001601639700001701655700001401672700002401686700003101710700002201741700002001763700001401783856012401797 2010 eng d a1234-198300aQTL mapping of 1000-kernel weight, kernel length, and kernel width in bread wheat (Triticum aestivum L.)0 aQTL mapping of 1000kernel weight kernel length and kernel width  aSTRZESZYNSKA 34, POZNAN, 60-479, POLANDbPOLISH ACAD SCIENCES, INST PLANT GENETICScDEC a421-4290 v513 a

Kernel size and morphology influence the market value and milling yield of bread wheat (Triticum aestivum L.). The objective of this study was to identify quantitative trait loci (QTLs) controlling kernel traits in hexaploid wheat. We recorded 1000-kernel weight, kernel length, and kernel width for 185 recombinant inbred lines from the cross Rye Selection 111 x Chinese Spring grown in 2 agro-climatic regions in India for many years. Composite interval mapping (CIM) was employed for QTL detection using a linkage map with 169 simple sequence repeat (SSR) markers. For 1000-kernel weight, 10 QTLs were identified on wheat chromosomes 1A, 1D, 2B, 2D, 4B, 5B, and 6B, whereas 6 QTLs for kernel length were detected on 1A, 2B, 2D, 5A, 5B and 5D. Chromosomes 1D, 2B, 2D, 4B, 53 and 5D had 9 QTLs for kernel width. Chromosomal regions with QTLs detected consistently for multiple year-location combinations were identified for each trait. Pleiotropic QTLs were found on chromosomes 2B, 2D, 4B, and 5B. The identified genomic regions controlling wheat kernel size and shape can be targeted during further studies for their genetic dissection.

10acomposite interval mapping10akernel shape10akernel size10aquantitative trait loci10aStable QTLs10aTriticum aestivum1 aRamya, P.1 aChaubal, A.1 aKulkarni, K.1 aGupta, L.1 aKadoo, Narendra, Y.1 aDhaliwal, Harcharan, Singh1 aChhuneja, Parveen1 aLagu, Meena, D.1 aGupta, V. uhttps://library.ncl.res.in/content/qtl-mapping-1000-kernel-weight-kernel-length-and-kernel-width-bread-wheat-triticum-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-001895nas a2200265 4500008004100000022001400041245008600055210006900141260013700210300001400347490000700361520091500368653002701283653002701310653001701337653000801354100001801362700002201380700001601402700001501418700002901433700002201462700002501484856012001509 2011 eng d a0956-566300aQuantum dot based immunosensor using 3D circular microchannels fabricated in PDMS0 aQuantum dot based immunosensor using 3D circular microchannels f aOXFORD FULFILLMENT CENTRE THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLANDbELSEVIER ADVANCED TECHNOLOGYcFEB a3050-30530 v263 a

Microchannel is basic functional component of microfluidic chip and every step-forward of its construction technique has been receiving concern all over the world. The present work describes a novel, rapid and simple fabrication technique for building 3D microchannels in poly(dimethyl siloxane) (PDMS) elastomer. These microchannels were used for rapid detection of antigens (E. coli) by quantum dot (QD) based approach. Luminescent QD (CdTe) were synthesized by aqueous method and characterized using high resolution transmission electron microscopy (HRTEM), fluorescence spectroscopy and X-ray diffraction (XRD). The QDs were functionalized with anti-E. coli antibodies for immuno-detection. The reported process allowed easier and faster method of fabrication of circular 3D micochannels and demonstrated their potential use in an immuno-biosensor device. (C) 2010 Elsevier B.V. All rights reserved.

10aCapillary driven flows10aCircular microfluidics10aImmunosensor10aQDs1 aMorarka, Amit1 aAgrawal, Shailaja1 aKale, Sonia1 aKale, Anup1 aOgale, Satishchandra, B.1 aPaknikar, Kishore1 aBodas, Dhananjay, S. uhttps://library.ncl.res.in/content/quantum-dot-based-immunosensor-using-3d-circular-microchannels-fabricated-pdms-002136nas a2200313 4500008004100000022001400041245010700055210006900162260007400231300000800305490000700313520111700320653001401437653001201451653001701463653001601480653001001496653001201506653001701518100001601535700001501551700002101566700002001587700001601607700002401623700002501647700001901672856013101691 2012 eng d a1388-076400aQuantum dot bio-conjugate: as a western blot probe for highly sensitive detection of cellular proteins0 aQuantum dot bioconjugate as a western blot probe for highly sens aVAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDSbSPRINGERcMAR a7320 v143 a

In the present study, we report a quantum dot (QD)-tailored western blot analysis for a sensitive, rapid and flexible detection of the nuclear and cytoplasmic proteins. Highly luminescent CdTe and (CdTe) ZnS QDs are synthesized by aqueous method. High resolution transmission electron microscopy, Raman spectroscopy, fourier transform infrared spectroscopy, fluorescence spectroscopy and X-ray diffraction are used to characterize the properties of the quantum dots. The QDs are functionalized with antibodies of prostate apoptosis response-4 (Par-4), poly(ADP-ribose) polymerases and beta actin to specifically bind with the proteins localized in the nucleus and cytoplasm of the cells, respectively. The QD-conjugated antibodies are used to overcome the limitations of conventional western blot technique. The sensitivity and rapidity of protein detection in QD-based approach is very high, with detection limits up to 10 pg of protein. In addition, these labels provide the capability of enhanced identification and localization of marker proteins in intact cells by confocal laser scanning microscopy.

10aDetection10aImaging10ananomedicine10aquantum dot10aRapid10asensors10aWestern blot1 aKale, Sonia1 aKale, Anup1 aGholap, Haribhau1 aRana, Abhimanyu1 aDesai, Rama1 aBanpurkar, Arun, G.1 aOgale, Satishchandra1 aShastry, Padma uhttps://library.ncl.res.in/content/quantum-dot-bio-conjugate-western-blot-probe-highly-sensitive-detection-cellular-proteins-002994nas a2200193 4500008004100000022001400041245014800055210006900203260007100272300001600343490000800359520219900367100002702566700001602593700002302609700001802632700001902650856013102669 2013 eng d a1520-610600aQuantifying the mechanism of phosphate monoester hydrolysis in aqueous solution by evaluating the relevant Ab initio QM/MM free-energy surfaces0 aQuantifying the mechanism of phosphate monoester hydrolysis in a a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcOCT a12807-128190 v1173 a

Understanding the nature of the free-energy surfaces for phosphate hydrolysis is a prerequisite for understanding the corresponding key chemical reactions in biology. Here, the challenge has been to move to careful ab initio QM/MM (QM(ai)/MM) free-energy calculations, where obtaining converging results is very demanding and computationally expensive. This work describes such calculations, focusing on the free-energy surface for the hydrolysis of phosphate monoesters, paying special attention to the comparison between the one water (1W) and two water (2W) paths for the proton-transfer (PT) step. This issue has been explored before by energy minimization with implicit solvent models and by nonsystematic QM/MM energy minimization, as well as by nonsystematic free-energy mapping. However, no study has provided the needed reliable 2D (3D) surfaces that are necessary for reaching concrete conclusions. Here we report a systematic evaluation of the 2D (3D) free-energy maps for several relevant systems, comparing the results of QM(ai)/MM and QM(ai)/implicit solvent surfaces, and provide an advanced description of the relevant energetics. It is found that the 1W path for the hydrolysis of the methyl diphosphate (MDP) trianion is 6-9 kcal/mol higher than that the 2W path. This difference becomes slightly larger in the presence of the Mg2+ ion because this ion reduces the plc of the conjugated acid form of the phosphate oxygen that accepts the proton. Interestingly, the BLYP approach (which has been used extensively in some studies) gives a much smaller difference between the 1W and 2W activation barriers. At any rate, it is worth pointing out that the 2W transition state for the PT is not much higher that the common plateau that serves as the starting point of both the 1W and 2W PT paths. Thus, the calculated catalytic effects of proteins based on the 2W PT mechanistic model are not expected to be different from the catalytic effects predicted using the 1W PT mechanistic model, which was calibrated on the observed barrier in solution and in which the TS charge distribution was similar to the that of the plateau (as was done in all of our previous EVB studies).

1 aPlotnikoy, Nikolay, V.1 aPrasad, Ram1 aChakrabarty, Suman1 aChu, Zhen, T.1 aWarshel, Arieh uhttps://library.ncl.res.in/content/quantifying-mechanism-phosphate-monoester-hydrolysis-aqueous-solution-evaluating-relevant-001172nas a2200181 4500008004100000022001400041245010900055210006900164260011000233300001600343490000700359520042200366100001900788700001800807700002300825700001600848856012600864 2014 eng d a1463-907600aQuantitative evaluation of the ability of ionic liquids to offset the cold-induced unfolding of proteins0 aQuantitative evaluation of the ability of ionic liquids to offse aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcJUN a15806-158100 v163 a

Significant non-reversible two-state denaturation was observed for proteins such as myoglobin (Mb) and alpha-chymotrypsin (CT) with decreasing temperature in the presence of 1-butyl-3-methylimidazolium-based ([C(4)mim]X-+(-)) ionic liquids (ILs) with various anions (X-). Interestingly, for the first time, ILs having acetate and bromide anions were proven to counteract the cold-induced unfolding of proteins.

1 aKumar, Awanish1 aRani, Anjeeta1 aVenkatesu, Pannuru1 aKumar, Anil uhttps://library.ncl.res.in/content/quantitative-evaluation-ability-ionic-liquids-offset-cold-induced-unfolding-proteins-002325nas a2200205 4500008004100000022001400041245015100055210006900206260011000275300001200385490000600397520146100403100002101864700002201885700002101907700002401928700001801952700002101970856012801991 2014 eng d a2040-336400aQuantum confinement controlled solar hydrogen production from hydrogen sulfide using a highly stable CdS0.5Se0.5/CdSe quantum dot-glass nanosystem0 aQuantum confinement controlled solar hydrogen production from hy aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcOCT a908-9150 v63 a

We have demonstrated unique CdS0.5Se0.5 and CdSe quantum dot-glass nanosystems with quantum confinement effect. The stable, monodispersed CdS0.5Se0.5 and CdSe quantum dots (QDs) of size 2 to 12 nm have been grown in a germanate glass matrix by a simple melt quench technique at moderate temperature. XRD and Raman studies show formation of hexagonal CdS0.5Se0.5 and CdSe in the glass matrix. The quantum confinement of CdS0.5Se0.5 and CdSe was studied using TEM and UV-Vis spectroscopy. The band gap of the glass nanosystem was tuned from 3.6 to 1.8 eV by controlling the CdS0.5Se0.5 quantum dot size in the glass matrix. It can be further tuned to 1.68 eV using growth of CdSe quantum dots in the glass matrix. Considering the tuneable band gap of the CdS0.5Se0.5 and CdSe quantum dot-glass nanosystem for the visible light absorption, a study of size tuneable photocatalytic activity for hydrogen generation from hydrogen sulfide splitting was performed under visible light irradiation for the first time. The utmost hydrogen evolution, i.e. 8164.53 and 7257.36 mu mol h(-1) g(-1) was obtained for the CdS0.5Se0.5 and CdSe quantum dot-glass nanosystems, respectively. The apparent quantum yield (AQY) was observed to be 26% and 21% for the CdS0.5Se0.5 and CdSe quantum dot-glass nanosystems, respectively. It is noteworthy that the present glass nanosystem as a photocatalyst was found to be very stable as compared to naked powder photocatalysts.

1 aApte, Sanjay, K.1 aGaraje, Sunil, N.1 aNaik, Sonali, D.1 aWaichal, Rupali, P.1 aBaeg, Jin-Ook1 aKale, Bharat, B. uhttps://library.ncl.res.in/content/quantum-confinement-controlled-solar-hydrogen-production-hydrogen-sulfide-using-highly-001590nas a2200169 4500008004100000022001400041245011800055210006900173260011000242300001600352490000600368520083300374100002901207700003101236700002501267856012801292 2014 eng d a2050-748800aQuantum dot-decorated silicon nanowires as efficient photoelectrodes for photoelectrochemical hydrogen generation0 aQuantum dotdecorated silicon nanowires as efficient photoelectro aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcSEP a13352-133580 v23 a

Quantum dot-decorated wide band gap semiconductors, such as TiO2, ZnO, SnO2, etc., which have electron mobilities of less than 200 cm(2) V-1 S-1 have been well studied as the photoelectrodes for photovoltaics and photoelectrochemical water splitting. Herein, we report CdSe quantum dot decorated-silicon nanowires (SiNWs) as photoelectrodes for photoelectrochemical water splitting. SiNWs have a comparatively higher electron mobility than metal oxides. A photocurrent density of around 6.1 mA cm(-2) was obtained for the CdSe/SiNWs photoelectrode, which is nearly five times higher than that for SiNWs alone and which also shows a good transient photocurrent response. The band energy level alignment was also studied between Si and CdSe by observing the corresponding flat band potentials from a Mott-Schottky analysis.

1 aDevarapalli, Rami, Reddy1 aKamaja, Chaitanya, Krishna1 aShelke, Manjusha, V. uhttps://library.ncl.res.in/content/quantum-dot-decorated-silicon-nanowires-efficient-photoelectrodes-photoelectrochemical-001971nas a2200217 4500008004100000022001400041245010800055210006900163260008000232300002400312490000600336520115500342653001301497653002801510653001501538653001701553653001401570100002101584700001901605856012901624 2015 eng d a1664-302X00aQualitative and quantitative proteomic analysis of vitamin C induced changes in mycobacterium smegmatis0 aQualitative and quantitative proteomic analysis of vitamin C ind aPO BOX 110, LAUSANNE, 1015, SWITZERLANDbFRONTIERS RESEARCH FOUNDATIONcMAY aArticle Number: 4510 v63 a

Vitamin C is a critical dietary nutrient in human which has a wide range of regulatory effects on gene expression and physiology of Mycobacterium tuberculosis that leads to a dormant drug-tolerant phenotype. In the presence of iron, vitamin C shows a high bactericidal activity even in the drug resistant phenotype of M. tuberculosis. The regulatory mechanisms underlying vitamin C induced adaptations are largely unknown due to lack of functional genomics data in this field. In this study, we attempt to characterize the direct effect of vitamin C treatment on the physiology of actively growing Mycobacterium smegmatis. The study chose M. smegmatis as it is a fast-growing bacterium and a non-pathogenic model system which shares many physiological features with the pathogenic M. tuberculosis including dormancy and its regulation. The proteomic adaptation of M. smegmatis on vitamin C treatment demonstrates the important changes in cellular and metabolic process such as reversal of tricarboxylic acid cycle, decrease in ATP synthesis, decrease in iron acquisition and storage, and induction of dormancy regulators WhiB3, PhoP, and Lsr2.

10adormancy10aMycobacterium smegmatis10aproteomics10atuberculosis10avitamin C1 aMishra, Abhishek1 aSarkar, Dhiman uhttps://library.ncl.res.in/content/qualitative-and-quantitative-proteomic-analysis-vitamin-c-induced-changes-mycobacterium-101479nas a2200121 4500008004100000245010000041210006900141260009100210520088800301100001901189700001901208856013001227 2015 eng d00aQuantitative, automated, high content screening assay approach to anti-angiogenicdrug discovery0 aQuantitative automated high content screening assay approach to  aCombi Chem-Bio Resource Center, OCD, National Chemical Laboratory, Pune - 411 008cFEB3 a

Angiogenesisenhancescancer,maculardegeneration,etc.. Currentangiogenicassays--indirect,manual,timeconsuming,laborintensive,difficulttoquantify,andexpensive. Wedevelopedanautomated,quantitative,HighContentScreeningangiogenictubeformationassaywouldbenefitdrugdiscoveryforseveraltherapeuticareas. Humanendothelialcellswereseededwithpro-oranti-angiogeniccompoundsonaMatrigelTMlayerina96-wellplate.Afterangiogenictubesformation,thepositivecontrolsandthetestsampleswerefixed,fluorescentlylabeled,automaticallyimagedonCellomics’ArrayScan®HCSReader,andquantitativelyanalyzedon-the-flybytheTubeFormationBioApplicationsoftwaremodule. Multiplefeaturesrelevantforangiogenesisandangiogenictubeformationwereautomaticallymeasured. Thisrobustandreliableassaythusenabledthelarge-scale,quantitative,screeningandcharacterizationofcompoundsaffectingbothpro-andanti-angiogenicpathways.

1 aNawale, Laxman1 aSarkar, Dhiman uhttps://library.ncl.res.in/content/quantitative-automated-high-content-screening-assay-approach-anti-angiogenicdrug-discovery01484nas a2200169 4500008004100000022001400041245015700055210006900212260011000281300001200391490000700403520070400410100002401114700002301138700002401161856012901185 2016 eng d a1474-905X00aQuenching effect of uranyl species in the photoluminescence emission and visible-light-driven water dissociation activity of CdS and TiO2 photocatalysts0 aQuenching effect of uranyl species in the photoluminescence emis aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcAPR a758-7660 v153 a

Anchoring of uranyl species (2-4 mol%) led to the complete quenching of photoluminescence emission and the visible-light-driven water photodissociation activity of TiO2 (Degussa-P25) and a hydrothermally synthesized CdS photocatalyst. Photophysical measurements revealed a fast relaxation and the transfer of photogenerated electrons/energy from the TiO2 or CdS substrate to the acceptor uranyl moieties. Besides the position of flat band levels, significant overlap of the absorption/emission spectra of the host matrix and the surface-bound UO22+ species is responsible for this reverse energy transfer from a wide bandgap semiconductor to a material with a smaller band-to-band energy gap.

1 aGupta, Narendra, M.1 aKelkar, Sarika, A.1 aKorake, Prakash, V. uhttps://library.ncl.res.in/content/quenching-effect-uranyl-species-photoluminescence-emission-and-visible-light-driven-water01624nas a2200193 4500008004100000245013100041210006900172260000800241300001300249490000700262520089200269100003001161700002401191700002301215700001901238700002301257700002601280856012401306 2017 eng d00aQuinolidene based monocarbonyl curcumin analogues as promising antimycobacterial agents: synthesis and molecular docking study0 aQuinolidene based monocarbonyl curcumin analogues as promising a cFEB a 922-9280 v273 a

A series of quinoline incorporated monocarbonyl curcumin analogues was efficiently synthesized using [HDBU][HSO4] as catalyst via Knoevenagel type condensation and evaluated for their in vitro antitubercular activity against Mycobacterium tuberculosis H37Ra (MTB) and Mycobacterium bovis BCG in dormant state. The analogues 3e, 3h, 4a and 4e exhibited very good antitubercular activity. The antiproliferative activity of the analogues against MCF-7, A549 and HCT-116 cell lines was evaluated using modified MTT assay and these compounds were found to be non-cytotoxic. Molecular docking study has been carried out against M. tuberculosis pantothenate synthetase (MTB PS) enzyme in an effort to enhance the understanding of their action as antitubercular agents. The potency, low cytotoxicity and selectivity of these analogues support them as valid leads for further optimization.

1 aSubhedar, Dnyaneshwar, D.1 aShaikh, Mubarak, H.1 aNawale, Laxman, U.1 aSarkar, Dhiman1 aKhedkar, Vijay, M.1 aShingate, Bapurao, B. uhttps://library.ncl.res.in/content/quinolidene-based-monocarbonyl-curcumin-analogues-promising-antimycobacterial-agents01956nas a2200217 4500008004100000245008100041210006900122260000800191300001400199490000800213520120400221100003001425700002401455700002601479700001901505700001901524700002301543700002601566700003101592856011501623 2017 eng d00aQuinolidene-rhodanine conjugates: facile synthesis and biological evaluation0 aQuinolidenerhodanine conjugates facile synthesis and biological  cJAN a385–3990 v1253 a

A series of rhodanine incorporated quinoline derivatives were efficiently synthesized using reusable DBU acetate as ionic liquid and evaluated for their in vitro antitubercular activity against Mycobacterium tuberculosis H37Ra (MTB) (ATCC 25177) and Mycobacterium bovis BCG (ATCC 35743) both in active and dormant state. Compounds 3e, 3f, 3g, 3h and 3i exhibited very good antitubercular activity. The active compounds were studied for cytotoxicity against HUVEC, THP-1, macrophages, A549, PANC-1 and HeLa cell lines using modified MTT assay and were found to be noncytotoxic. Inactivity of all these compounds against Gram positive and Gram negative bacteria indicates their specificity towards the MTB. Further, the synthesized compounds have been screened for their in vitro antifungal activity. In addition, the molecular docking studies revealed the binding modes of these compounds in active site of Zmp1 enzyme, which in turn helped to establish a structural basis of inhibition of mycobacteria. The results of present study clearly indicate the identification of some novel, selective and specific inhibitors against MTB that can be explored further for potential antitubercular drug.

1 aSubhedar, Dnyaneshwar, D.1 aShaikh, Mubarak, H.1 aShingate, Bapurao, B.1 aNawale, Laxman1 aSarkar, Dhiman1 aKhedkar, Vijay, M.1 aKhan, Firoz, A. Kalam1 aSangshetti, Jaiprakash, N. uhttps://library.ncl.res.in/content/quinolidene-rhodanine-conjugates-facile-synthesis-and-biological-evaluation01803nas a2200145 4500008004100000245010200041210006900143260000800212300001600220490000700236520124600243100002201489700001901511856012701530 2018 eng d00aQuantum dots coupled to an oriented two-dimensional crystalline matrix for solar cell application0 aQuantum dots coupled to an oriented twodimensional crystalline m cNOV a39074-390820 v103 aColloidal quantum dots (QDs) have emerged as promising materials to harness panchromatic solar light, owing to their size-tunable optoelectronic properties. Advancements in surface passivation strategy and processing technique have contributed immensely to their developments in photovoltaic applications. Recently, surface passivation using halometallate ligands was shown to form a protective shell layer, which reduced the structural and energetic disorder in the QD solid. Here, we report lead sulfide (PbS) QDs coupled to an oriented two-dimensionally (2D) confined crystalline matrix by using a halometallate ligand. The QDs undergo surface reconstruction during the ligand treatment process, which leads to change in their shape, size, and axis length. We show that the 2D matrix is a combination of two distinct crystalline layers consisting of a crystalline Pb amine complex and a 2D perovskite layer. The thickness of the matrix layer is modulated further by adjusting counter cations, which results in the enhancement in charge carrier mobility, carrier recombination lifetime, and diffusion length in the QD solid. 2D passivated QDs are implemented to fabricate photovoltaic devices with high power conversion efficiency of 9.1%.1 aMandal, Debranjan1 aRath, Arup, K. uhttps://library.ncl.res.in/content/quantum-dots-coupled-oriented-two-dimensional-crystalline-matrix-solar-cell-application01433nas a2200145 4500008004100000245008900041210006900130260000800199300001400207490000700221520090600228100001801134700002101152856011401173 2018 eng d00aQuest for novel chemical entities through incorporation of silicon in drug scaffolds0 aQuest for novel chemical entities through incorporation of silic cMAY a3779-37980 v613 aIn order to optimize a lead molecule for further development, bioisosteric replacements are generally adopted as one of the strategies. Silicon appears to be the right choice as a carbon isostere because of the similarity in chemical properties. Silicon can be strategically introduced in a molecule to modulate its druglike properties, providing medicinal chemists with an unconventional strategy for replacing a carbon atom. Silicon can also be introduced to replace other heteroatoms and can act as a surrogate of functional groups such as olefin and amide as well. The present Perspective focuses on the opportunities that silicon incorporation offers in drug discovery, with an emphasis on case studies where introduction of silicon has created a benefit over its analog. We have tried to highlight all the recent developments in the field and briefly discuss the challenges associated with them.1 aRamesh, Remya1 aReddy, Srinivasa uhttps://library.ncl.res.in/content/quest-novel-chemical-entities-through-incorporation-silicon-drug-scaffolds02636nas a2200265 4500008004100000022001400041245012500055210006900180260000900249300001200258490000800270520175800278653001702036653001602053653000802069653000802077653002702085653001702112100002102129700002202150700002802172700002002200700002402220856012602244 2019 eng d a0039-914000aQuantification of niclosamide polymorphic forms - a comparative study by Raman, NIR and MIR using chemometric techniques0 aQuantification of niclosamide polymorphic forms a comparative st cJUL  a679-6880 v1993 a

Niclosamide, an anthelmintic drug recently repurposed for its activity against cancer, crystallizes into three solvated forms, two monohydrates (NHa, NHb) and one anhydrous (NAn) form. NAn is sensitive to pseudopolymorphic transformations that affect its dissolution and consequently, its bioavailability. NAn exhibits a polymorphic conversion to metastable monohydrate (NHa) form during high-energy milling in presence of poorly soluble solvents like water. It is hence very important to quantify polymorphic conversion from NAn to NHa, as water is a commonly used solvent during various processing like ball milling and wet granulation. This main objective of the study was to examine the feasibility of Raman, NIR and MIR spectroscopic techniques for identification and quantification of polymorphic forms of niclosamide in binary mixtures and multicomponent mixtures. Calibration models were developed and validated by vibrational spectroscopic techniques in binary mixtures of NAn and NHa and in multicomponent mixtures by chemometric techniques. These techniques were further used to identify and quantify NHa during ball milling, granulation and in presence of other polymorphic forms of niclosamide. Identification and quantification of pseudopolymorphs in binary and multicomponent mixtures with an acceptable recovery of 100.13-102.99% for Raman and 100.07-101.28% for NIR with low % RSD of 2.38-3.12 for both techniques were obtained. The % NHa determined during ball milling and granulation was similar by NIR and Raman. Raman spectroscopy however showed a greater advantage over other techniques in determining the NHa in presence of NHb due to significant difference in the spectral region of hydrates, when compared to NIR and MIR.

10aBall milling10aGranulation10aMSC10aPLS10aPolymorphic conversion10aspectroscopy1 aBhavana, Valmala1 aChavan, Rahul, B.1 aMannava, M., K. Chaitan1 aNangia, Ashwini1 aShastri, Nalini, R. uhttps://library.ncl.res.in/content/quantification-niclosamide-polymorphic-forms-comparative-study-raman-nir-and-mir-using01582nas a2200145 4500008004100000245008400041210006900125260000800194300001000202490000800212520107300220100001201293700002101305856011001326 2019 eng d00aQuantitative comparison of strategies to delay clogging in straight capillaries0 aQuantitative comparison of strategies to delay clogging in strai cMAY a88-990 v1993 aIt is challenging to achieve non-stop flow of a liquid-solid suspension through small channels as it eventually leads to clogging. This paper presents a quantitative comparison of four different techniques for enhancement of solid handling processes in microchannels of two different diameters. These techniques include dosing of the inert gas phase, dosing of the inert and immiscible liquid phase, and changing the wall wettability and multi-point injection, which, in principle, individually follow different mechanisms to delay clogging. An antisolvent based method for precipitation of salt was used to generate solid particles during flow. Clogging time at various flow rates from all the methods was measured and analysed. Irrespective of the method of delaying clogging, the scaling law of clogging time as a function of residence time was seen to remain unchanged. Among these methods, dosing of an inert, immiscible liquid has been identified as the most effective and robust method to delay clogging while enhancing transport of particles in segmented flow.1 aPal, S.1 aKulkarni, A., A. uhttps://library.ncl.res.in/content/quantitative-comparison-strategies-delay-clogging-straight-capillaries02210nas a2200253 4500008004100000022001400041245008500055210006900140260000800209300001100217490000800228520140200236653002001638653001101658653001501669653002201684653002601706653002101732100001801753700002101771700002701792700002301819856011401842 2021 eng d a1385-894700aQuantitative understanding of nucleation and growth kinetics of silver nanowires0 aQuantitative understanding of nucleation and growth kinetics of  cJUN a1287110 v4143 a

We have demonstrated that using polyol synthesis, it is possible to prepare high aspect ratio silver nanowires by controlling the experiments for process related issues which are usually ignored, viz. the overhead space in the batch reactor. It is found that by controlling the presence/absence of NOx gases with refluxing of nitric acid in the batch reactor with an overhead space of 80% volume, near complete conversion (-99%) of high aspect ratio NWs (-1000) can be attained. We provide a detailed understanding of other factors assisting in rapid polyol synthesis like temperature, stirring rate, Chloride ion concentration, optimal PVP weight ratios and PVP/AgNO3 ratio that can lead to high aspect ratio NWs. Besides the process parameters and reagent concentration effects, kinetic studies based on our nucleation and R-C Model evaluate the overall reaction rate constants for silver nanowires and the JMAK approach is used to theoretically validate our experimental results of the reactor headspace having strongest effect on the aspect ratios. Our study highlights the importance of various complications in the polyol synthesis, through detailed kinetic modelling and affixes values of temperature, reactor headspace, stirring rate and residence time in order to achieve reproducible synthesis of nanowires with complete conversion along with a method to separate these nanowires.

10aConducting inks10agrowth10aNucleation10aReaction kinetics10aRedox-crystallization10aSilver Nanowires1 aPatil, Suneha1 aKate, Prachi, R.1 aDeshpande, Jaydeep, B.1 aKulkarni, Amol, A. uhttps://library.ncl.res.in/content/quantitative-understanding-nucleation-and-growth-kinetics-silver-nanowires02862nas a2200205 4500008004100000022001400041245009900055210006900154260000800223300001600231490000700247520213700254100002402391700002602415700002202441700002202463700002602485700001702511856012802528 2023 eng d a1463-907600aQuantum dot (Aun/Agn, n=3-8) capped single lipids: interactions and physicochemical properties0 aQuantum dot AunAgn n38 capped single lipids interactions and phy cAUG a22294-223030 v253 a

Realizing the potential of nano-hybrid biomaterials in various applications (nanoprobes to drug delivery), special attention has been devoted towards their synthesis and development. Nonetheless, several questions pertaining to the interface chemistry between the constituent entities (biomolecules and organic/inorganic part) of these hybrids, still remain unresolved. Keeping these unsolved issues in mind, the present theoretical investigation focuses on determining the electronic/physicochemical properties and interactions within gold and silver quantum dot-capped single lipid molecules. Quantum dots of varying sizes and shapes have been chosen and then coupled with lipid molecules (1,2-dimyristoyl-sn-glycero-3-phosphocholine (DMPC), 1,2-dimyristoyl-sn-glycero-3-phosphoethanolamine (DMPE), 1,2-dimyristoyl-sn-glycero-3-phosphoglycerol, sodium salt (DMPG)), at the choline/glycerol, carboxylate and phosphate site. It has been identified that Au Qds interact strongly as compared to Ag clusters. In addition to the type, the shape and size of the Qd also influences their attachment with lipids. Among various sites, the phosphate site provides a considerably stronger platform for the coupling of Qds. On the other hand, attachment at the choline site leads to significantly lower interaction energies. The trend noted in interaction energies coincides with the structure-electronic property analysis (interatomic bond distances, charge transfer, PO2- stretching frequencies), which further helps in deducing the nature of interactions. The molecular dynamics simulations performed on selected Qd-lipid complexes established that the Qd interacting with lipids at the phosphate site remains fairly stable at room temperature without undergoing fragmentation into individual components. On the other hand, at the choline site, the Qd-to-lipid coupling is unstable and therefore they experience disintegration at 300 K temperature. Additionally, a unique glycerol-to-phosphate site crossover is evidenced, which reaffirms that the phosphate site is selectively preferred by Qds for binding with lipid molecules.

1 aManeri, Asma, H. H.1 aVarode, Shruti, Suhas1 aMaibam, Ashakiran1 aRanjan, Priyatosh1 aKrishnamurty, Sailaja1 aJoshi, Krati uhttps://library.ncl.res.in/content/quantum-dot-aunagn-n3-8-capped-single-lipids-interactions-and-physicochemical-properties02297nas a2200229 4500008004100000022001400041245010500055210006900160260000900229490000700238520147700245653003001722653002601752653002101778653002201799653003201821653001401853100002201867700002401889700002601913856012801939 2024 eng d a2352-152X00aQuasi-molecular hydrogen storage capacity of graphene quantum dots: A dispersion corrected DFT study0 aQuasimolecular hydrogen storage capacity of graphene quantum dot cAPR 0 v843 a

Efficient storage of hydrogen, green fuel with the highest energy density, remains a pressing challenge. Among the several materials investigated for their potential hydrogen storage, 2D materials, like graphene, have advantages such as mechanical strength and large surface area but fail to store hydrogen reversibly. In this context, the present computational experiment demonstrates the potential of Graphene Quantum Dots (GQDs) with 24, 40 and 42 carbon atoms for their hydrogen storage capacity in quasi-molecular mode. Factors such as edge terminations, heteroatom doping, and anchoring of metal atoms are evaluated as a function of their storage capacity. The study clearly demonstrates an enhanced storage capacity of quantum dots, particularly, when a single Ti adatom is anchored on a 24 carbon atom GQD with a storage weight % of 2.24 % w/w. The storage weight % is further noted to increase as a function of the number of Ti atoms anchored on the GQD with the highest hydrogen storage weight % of 6.1 % w/w. Importantly, the adsorption of hydrogen molecule on the Ti atom is through a quasi-molecular mode and is driven by Kubas interaction. This type of interactions makes GQDs as viable storage materials at room temperature. Secondly, the work demonstrates that GQDs offer higher storage capacities of hydrogen molecules as compared to their 2D counterparts viz., graphene sheets, making them attractive candidates to be explored experimentally.

10aDensity functional theory10agraphene quantum dots10aHydrogen storage10aKubas interaction10aQuasi -molecular adsorption10aTi adatom1 aKhadilkar, Pranav1 aSamudre, Nikhil, S.1 aKrishnamurty, Sailaja uhttps://library.ncl.res.in/content/quasi-molecular-hydrogen-storage-capacity-graphene-quantum-dots-dispersion-corrected-dft03157nas a2200205 4500008004100000245016100041210006900202260000800271300001100279490000600290520236700296100002702663700002302690700002002713700001602733700003302749700002202782700002402804856012302828 2025 eng d00aQuality by design-based development and validation of a stability-indicating RP-HPLC method for quantitative estimation of enzalutamide in eutectic mixtures0 aQuality by designbased development and validation of a stability cSEP ae701190 v83 a

Metastatic castration-resistant prostate cancer presents a significant clinical challenge, with Enzalutamide—an androgen receptor inhibitor—serving as a standard therapeutic agent. Despite its efficacy, poor aqueous solubility (Biopharmaceutics classification system Class II) limits its bioavailability, necessitating advanced formulation strategies. This study reports a robust and validated Reverse Phase High Performance Liquid Chromatography (RP-HPLC) method for quantifying enzalutamide in bulk and eutectic formulations. A Quality by Design framework employing a Box–Behnken design was used to optimize chromatographic parameters: 60% acetonitrile, 1 mL/min flow rate, 30°C column temperature, and 234 nm detection wavelength. The method exhibited strong linearity (2–12 µg/mL, r2 = 0.9985) with a limit of detection and limit of quantification of 0.464 and 1.40 µg/mL, respectively. Validation per International Council for Harmonisation Q2 (R1/R2) confirmed accuracy, precision, robustness, and system suitability. Forced degradation studies verified its stability-indicating capability. Eutectic mixtures with succinic acid, caffeine, and ferulic acid were prepared via liquid-assisted grinding and characterized using powder x-ray diffraction, confirming crystalline eutectic formation. Recovery ranged from 96.7% to 99.8%, supporting the method's applicability in routine analysis and formulation development. Greenness evaluation using various tools confirmed the method's low environmental impact and high operational feasibility. This validated RP-HPLC method enables reliable quantification of enzalutamide, supporting the development of novel bioavailability-enhancing formulations for effective prostate cancer management.

1 aWannur, Vishal, Irappa1 aPatil, Archana, S.1 aSawadi, Bhavana1 aKoli, Rahul1 aShaligram, Parth, Shailendra1 ashet, Nagabhushan1 aGonnade, Rajesh, G. uhttps://library.ncl.res.in/content/quality-design-based-development-and-validation-stability-indicating-rp-hplc-method