02335nas a2200229 4500008004100000022001400041245017300055210006900228260007100297300001400368490000700382520140600389100002101795700002601816700002301842700002201865700002301887700002601910700002601936700002301962856012001985 2012 eng d a0022-326300aAlpha-geminal dihydroxymethyl piperidine and pyrrolidine iminosugars: synthesis, conformational analysis, glycosidase inhibitory activity, and molecular docking studies0 aAlphageminal dihydroxymethyl piperidine and pyrrolidine iminosug a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcSEP a7873-78820 v773 a

The Jocic-Reeve and Corey-Link type reaction of dichloromethyllithium with suitably protected 5-keto-hexofuranoses followed by treatment with sodium azide and sodium borohydride reduction gave 5-azido-5-hydroxylmethyl substituted hexofuranoses 7a-c with required geminal dihydroxymethyl group. Removal of protecting groups and converting the C-1 anomeric carbon into free hemiacetal followed by intramolecular reductive aminocyclization with in situ generated C5-amino functionality afforded corresponding 5C-dihydroxymethyl piperidine iminosugars 2a-c. Alternatively, removal of protecting groups in 7b and 7c and chopping of C1-anomeric carbon gave C2-aldehyde that on intramolecular reductive aminocyclization with CS-amino gave 4C-dihydroxyrnethyl pyrrolidine iminosugars 1b and 1c, respectively. On the basis of the H-1 NMR studies, the conformations of 2a/2b were assigned as C-4(1) and that of 2c as C-1(4). The glycosidase inhibitory activities of all five iminosugars were studied with various glycosidase enzymes and compared with natural o-g/uco-l-deoxynojirimycin (DNJ). All the five compounds were found to be potent inhibitors of rice alpha-glucosidase with K-i and IC50 values in the nanomolar concentration range. Iminosugars 2b and 1b were found to be more potent inhibitors than their parent iminosugar. These results were substantiated by in silico molecular docking studies.

1 aPawar, Nitin, J.1 aParihar, Vijay, Singh1 aChavan, Sanjay, T.1 aJoshi, Rakesh, S.1 aJoshi, Pranaya, V.1 aSabharwal, Sushma, G.1 aPuranik, Vedavati, G.1 aDhavale, Dilip, D. uhttps://library.ncl.res.in/content/alpha-geminal-dihydroxymethyl-piperidine-and-pyrrolidine-iminosugars-synthesis-001369nas a2200241 4500008004100000022001400041245020500055210006900260260010600329300001200435490000700447520035200454653000800806653002100814653002800835653001500863653003000878100002000908700002300928700002600951700002300977856012701000 2013 eng d a0277-538700aSynthesis and X-ray single crystal structure of a cadmium(II) acetophenone thiosemicarbazone complex and its use as a single-source precursor for the preparation of CdS nanocrystallites and thin films0 aSynthesis and Xray single crystal structure of a cadmiumII aceto aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcSEP a195-2010 v613 a

{A cadmium(II) acetophenone thiosemicarbazone complex has been prepared and characterized by elemental analysis, infrared and nuclear magnetic resonance (H-1 and C-13{H-1}) spectroscopic techniques. Its single crystal structure has also been determined. The compound is found to be monoclinic, space group C2/c, with a = 12.1020(3) angstrom

10aCdS10aNanocrystallites10aSingle source precursor10aThin films10aThiosemicarbazone complex1 aPalve, Anil, M.1 aJoshi, Pranaya, V.1 aPuranik, Vedavati, G.1 aGarje, Shivram, S. uhttps://library.ncl.res.in/content/synthesis-and-x-ray-single-crystal-structure-cadmiumii-acetophenone-thiosemicarbazone-002075nas a2200301 4500008004100000022001400041245008700055210006900142260006900211300001200280490000800292520106000300653002001360653001601380653001501396653001401411653001301425100002401438700002301462700002601485700002301511700002001534700002301554700002801577700002301605700003401628856011101662 2014 eng d a0022-328X00aMolybdenum(VI) dioxo complexes for the epoxidation of allylic alcohols and olefins0 aMolybdenumVI dioxo complexes for the epoxidation of allylic alco aPO BOX 564, 1001 LAUSANNE, SWITZERLANDbELSEVIER SCIENCE SAcDEC a271-2790 v7723 a

Several molybdenum(VI) dioxo complexes have been investigated as catalyst precursors for allylic alcohol epoxidation using mainly hydrogen peroxide as oxidant. All catalysts proved to be efficient and selective for the epoxidation of allylic alcohols provided the olefins were rather electron rich. Indeed, electron poor substrates could be converted selectively into the corresponding unsaturated aldehydes. A chiral dioxomolybdenum complex based on an optically pure tridentate Schiff base ligand was synthesized and characterized. Though that complex provided an efficient epoxidation catalyst for allylic alcohols and olefins, no chiral induction was observed. During the X-ray diffraction analysis, the cooling at 100 K led to the appearance of super-lattice reflections on diffraction patterns reflecting an ordering of the structure. Instead of one organometallic species observed at 298 K, three similar complexes of the same molecular structure could be observed in the asymmetric unit at 100 K. (C) 2014 Elsevier B.V. All rights reserved.

10aAllylic alcohol10aepoxidation10aMolybdenum10aOxidation10aPeroxide1 aPandhare, Swati, L.1 aJadhao, Rajesh, R.1 aPuranik, Vedavati, G.1 aJoshi, Pranaya, V.1 aCapet, Frederic1 aDongare, Mohan, K.1 aUmbarkar, Shubhangi, B.1 aMichon, Christophe1 aAgbossou-Niedercorn, Francine uhttps://library.ncl.res.in/content/molybdenumvi-dioxo-complexes-epoxidation-allylic-alcohols-and-olefins-001591nas a2200193 4500008004100000022001400041245012600055210006900181260007100250300001200321490000700333520081400340100001901154700002301173700002101196700002301217700002601240856013101266 2014 eng d a1043-180200aMonitoring cellular uptake and cytotoxicity of copper(II) complex using a fluorescent anthracene thiosemicarbazone ligand0 aMonitoring cellular uptake and cytotoxicity of copperII complex  a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcJAN a102-1140 v253 a

The thiosemicarbazone derivative of anthracene (ATSC, anthracene thiosemicarbazone I) and its copper(II) complex (CuATSC, 2) were synthesized and characterized by spectroscopic, electrochemical, and crystallographic techniques. Interaction of 1 and 2 with calf thymus (CT) DNA was explored using absorption and emission spectral methods, and viscosity measurements reveal a partial-intercalation binding mode. Their protein binding ability was monitored by the quenching of tryptophan emission using bovine serum albumin (BSA) as a model protein. Furthermore, their cellular uptake, in vitro cytotoxicity testing on the HeLa cell line, and flow cytometric analysis were carried out to ascertain the mode of cell death. Cell cycle analysis indicated that 1 and 2 cause cell cycle arrest in sub-G1 phase.

1 aKate, Anup, N.1 aKumbhar, Anupa, A.1 aKhan, Ayesha, A.1 aJoshi, Pranaya, V.1 aPuranik, Vedavati, G. uhttps://library.ncl.res.in/content/monitoring-cellular-uptake-and-cytotoxicity-copperii-complex-using-fluorescent-anthracene-004280nas a2200277 4500008004100000022001400041245018000055210006900235260007100304300001400375490000700389520321000396100002303606700003103629700001803660700001903678700002303697700001703720700002003737700001703757700001703774700003503791700002603826700002403852856012603876 2016 eng d a1528-748300aAdditive mediated syn-anti conformational tuning at nucleation to capture elusive polymorphs: remarkable role of extended pi-stacking interactions in driving the self-assembly0 aAdditive mediated synanti conformational tuning at nucleation to a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcAPR a2416-24280 v163 a

Understanding the process of prenucleation clustering at supersaturating stage is of significant importance to envisage the polymorphism in crystalline materials. Preferential formation of a thermodynamically stable crystal form suggests energetically favored patterns of interactions which control molecular aggregation during nucleation. Introduction of additives during crystallization is sometimes used as a suitable strategy to obtain metastable polymorphs in cases where it is not easy to capture the same by conventional crystallization methods. Comparative analysis of energy relationships and intermolecular interactions between thermodynamically stable and metastable crystal forms provides valuable clues about the nature of growth synthons at prenucleation clustering and preferential crystallization of the thermodynamic form. Conformationally flexible sulfonamide/sulfoester derivatives constituting electron rich and electron deficient aromatic rings were synthesized to study the interplay between pi-stacking and hydrogen bonding synthons. We have identified and characterized the thermodynamically stable and metastable elusive polymorphs of aromatic sulfonamides 1 and 2 and sulfoesters 3 and 4. However, these compounds eluded polymorphism during crystallisation from various common solvents/conditions and only produced thermodynamically stable crystals forms (form I crystals). Surprisingly, exploitation of pyrazinamide as an additive in different stoichiometric ratios during crystallization gave elusive polymorphs [three for 1 (form 1II, form 1III, and form 1IV) and one each for 2 (form 2II), 3 (form 3II), and 4 (form 4II)]. Molecules in stable crystal forms of these compounds are linked via extended chains of parallel displaced pi...pi stacking interactions that seem to play a vital role in driving the self-assembly of molecules and subsequently governing the nucleation process. In contrast, molecules in metastable polymorphs are devoid of such extended pi-stacking assemblies. Interestingly, differential scanning calorimetry, hot stage microscopy, and X-ray crystallographic studies confirmed the thermal crystal-to-crystal transition of all three metastable polymorphs of 1 (form 1II, form 1III, and form 1IV) to its thermodynamically stable crystal form (form 1I). Conformational analysis of molecule 1 using density functional theory calculations also validated higher stability for syn conformation (observed in Form 1I crystals) over anti and midway conformations (seen in metastable polymorphs). Melt crystallization of form 1I crystals of 1 on the larger face (001) of delta-pyrazinamide and lattice matching analysis (GRACE) revealed that the layered arrangement of molecules of delta-pyrazinamide (on 001 face) during heterogeneous nucleation acts as a template (heteroepitaxy) to provide a preferential site for the nucleation of new metastable polymorphs by selectively inhibiting the most preferred crystal form from growing into the nucleus. Solution state one- and two-dimensional (NOESY) H-1 NMR, scanning electron microscopy, and a Cambridge Structural Database survey were conducted to substantiate the role of additives during crystallization.

1 aGawade, Rupesh, L.1 aChakravarty, Debamitra, K.1 aKotmale, Amol1 aSangtani, Ekta1 aJoshi, Pranaya, V.1 aAhmed, Awais1 aMane, Manoj, V.1 aDas, Susanta1 aVanka, Kumar1 aRajamohanan, Pattuparambil, R.1 aPuranik, Vedavati, G.1 aGonnade, Rajesh, G. uhttps://library.ncl.res.in/content/additive-mediated-syn-anti-conformational-tuning-nucleation-capture-elusive-polymorphs01854nas 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-antiproliferative