02078nas a2200301   4500008004100000022001400041245004000055210004000095260007700135300001400212490000700226520119400233653000601427653003201433653003601465653001401501653002401515653002301539653001201562653001801574653001201592653002301604100002301627700001901650700001901669700001401688856007401702       2005                        eng d  a0930-751600aModeling of rotary desiccant wheels0 aModeling of rotary desiccant wheels  aPO BOX 10 11 61, D-69451 WEINHEIM, GERMANYbWILEY-V C H VERLAG GMBHcDEC  a1473-14790 v283 a<p>Rotary desiccant wheels are widely used in dehumidification and energy recovery applications. In this work, we have developed a 2D, steady state model of a rotary desiccant wheel. Mass and energy balance equations for the air streams and the desiccant wheels were developed. The hydraulic diameter and surface area for heat and mass transfer were calculated based on knowledge of the flute geometry. Appropriate correlations for the Sherwood number and Nusselt number were used to estimate heat and mass transfer coefficients. The model is capable of predicting steady state behavior of desiccant wheels having at the most three sections (process, purge, and regeneration). The mathematical model was validated using a real desiccant wheel, and the calculation results are in reasonable agreement with the experimental data. Based on this model, the temperature and humidity profiles in the wheel during both the dehumidification and the regeneration processes are analyzed. The simulated results were used to gain an insight into the operation of desiccant wheels. The model and the presented results will be useful for optimizing dehumidification and energy recovery applications.</p>10a110a4-benzodioxan-2-carboxylate10a4-benzodioxan-2-carboxylic acid10adoxazosin10aenantio selectivity10aenantiomeric ratio10aethyl 110aethyl acetate10aLipases10atransesterfication1 aHarshe, Yogesh, M.1 aUtikar, R., P.1 aRanade, V., V.1 aPahwa, D.  uhttps://library.ncl.res.in/content/modeling-rotary-desiccant-wheels-000937nas a2200229   4500008004100000022001400041245007300055210006900128260007600197300001100273520014500284653000600429653002100435653002500456653001600481100002300497700002300520700002000543700002200563700002400585856009800609       2005                        eng d  a0308-234200aNew method for the preparation of 1,2-benzisoxazole-3-carboxaldehyde0 aNew method for the preparation of 12benzisoxazole3carboxaldehyde  aPO BOX 314, ST ALBANS AL1 4ZG, HERTS, ENGLANDbSCIENCE REVIEWS LTDcFEB  a99-1003 a<p>Synthesis of 1,2-benzisoxazole-3-carboxaldehyde is achieved from 3-methyl 1,2-benzisoxazole via 3-ethoxymethyl-1,2-benzisoxazole (4).</p>10a110a2-benzisoxazoles10abenzylic bromination10aindoxazenes1 aKalkote, Uttam, R.1 aPanchgalle, S., R.1 aMahakal, K., K.1 aChoudhary, S., M.1 aChavan, Sayalee, R.  uhttps://library.ncl.res.in/content/new-method-preparation-12-benzisoxazole-3-carboxaldehyde-001787nas a2200313   4500008004100000022001400041245009100055210006900146260006900215300001000284490000700294520075800301653000601059653003201065653003601097653001401133653002401147653002301171653001201194653001801206653001201224653002301236100002501259700001301284700002301297700001201320700002601332856011501358       2005                        eng d  a1369-703X00aNovel enzymatic route for kinetic resolution of (+/-)1,4-benzodioxan-2-carboxylic acid0 aNovel enzymatic route for kinetic resolution of 14benzodioxan2ca  aPO BOX 564, 1001 LAUSANNE, SWITZERLANDbELSEVIER SCIENCE SAcDEC  a66-710 v273 aEthyl 1,4-benzodioxan-2-carboxylate is used as an intermediate compound for the production of drug doxazosin mesylate. The title compound was kinetically resolved to get S-enantiomer of ethyl 1,4-benzodioxan 2-carboxylate in a simple lipase catalyzed transesterificafion reaction. Ethyl acetate was used as reaction medium as well as acyl donor. The influence of the enzyme source and time of reaction on the enantio selectivity of product were studied. Lipase from Candida antartica-B (Novozyme A/S) catalyzed transesterification reaction with good enantio selectivity towards S-enantiomer. The high enantiomeric ratio, E= 160, provided S-2 an acceptable chemical yield (50%) and enaritiomeric excess (>95%). (c) 2005 Elsevier B.V. All rights reserved.10a110a4-benzodioxan-2-carboxylate10a4-benzodioxan-2-carboxylic acid10adoxazosin10aenantio selectivity10aenantiomeric ratio10aethyl 110aethyl acetate10aLipases10atransesterfication1 aKasture, Sangita, M.1 aVarma, R1 aKalkote, Uttam, R.1 aNene, S1 aKulkarni, Bhaskar, D.  uhttps://library.ncl.res.in/content/novel-enzymatic-route-kinetic-resolution-14-benzodioxan-2-carboxylic-acid-001761nas a2200313   4500008004100000022001400041245016100055210006900216260010600285300001400391490000700405520062900412653000601041653000601047653001601053653000601069653002501075653002401100653002101124653001801145653002201163100002101185700002101206700002101227700001901248700002501267700002301292856013201315       2005                        eng d  a0040-402000aRoom temperature ionic liquid promoted improved and rapid synthesis of 2,4,5-triaryl imidazoles from aryl aldehydes and 1,2-diketones or alpha-hydroxyketone0 aRoom temperature ionic liquid promoted improved and rapid synthe  aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcAPR  a3539-35460 v613 a<p>An improved and rapid one-pot synthesis of 2,4,5-triaryl imidazoles in a room temperature ionic liquid is described, which does not need any added catalyst. Different ionic liquids based on 1-n-butyl and 1,3-di-n-butyl imidazolium salts were screened and their efficacy in terms of acidity and polarity have been correlated with yields and reaction period. The one-pot methodology resulting in excellent isolated yields in short reaction times is characterized by simple work up procedures and efficient recovery and recycling of the ionic liquid, which acts as a promoter. (c) 2005 Elsevier Ltd. All rights reserved.</p>10a110a210a2-Diketones10a410a5-triaryl imidazoles10aalpha-hydroxyketone10aammonium acetate10abenzaldehydes10aionic liquid (IL)1 aSiddiqui, S., A.1 aNarkhede, U., C.1 aPalimkar, S., S.1 aDaniel, Thomas1 aLahoti, Rajgopal, J.1 aSrinivasan, K., V.  uhttps://library.ncl.res.in/content/room-temperature-ionic-liquid-promoted-improved-and-rapid-synthesis-245-triaryl-imidazoles-001032nas a2200229   4500008004100000022001400041245009900055210006900154260007500223300001400298520022200312653000600534653000600540653002800546653001500574653001500589653002000604653002100624100002300645700001300668856012100681       2005                        eng d  a0936-521400aSynthesis of bile acid dimers linked with 1,2,3-triazole ring at C-3, C-11, and C-24 positions0 aSynthesis of bile acid dimers linked with 123triazole ring at C3  aRUDIGERSTR 14, D-70469 STUTTGART, GERMANYbGEORG THIEME VERLAG KGcSEP  a2155-21583 a<p>1,3-Dipolar cycloaddition of propargyl ester of a bile acid to an azide group attached at different positions of another bile acid gave three new 1,2,3-triazole-containing dimeric analogues in excellent yields.</p>10a110a210a3-dipolar cycloaddition10a3-Triazole10aBile acids10aClick chemistry10asteroidal dimers1 aAher, Nilkanth, G.1 aPore, VS  uhttps://library.ncl.res.in/content/synthesis-bile-acid-dimers-linked-123-triazole-ring-c-3-c-11-and-c-24-positions-002062nas a2200265   4500008004100000022001400041245021000055210006900265260009500334300001200429490000800441520103600449653000601485653003701491653003301528653001301561653001101574653000901585653000901594653002401603653000901627100002101636700001401657856012501671       2006                        eng d  a0006-291X00aConformation and microenvironment of the active site of a low molecular weight 1,4-beta-D-glucan glucanohydrolase from an alkalothermophilic thermomonospora sp.: involvement of lysine and cysteine residues0 aConformation and microenvironment of the active site of a low mo  a525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USAbACADEMIC PRESS INC ELSEVIER SCIENCEcAUG  a428-4320 v3473 a<p>Conformation and microenvironment at the active site of 1,4-beta-D-glucan glucanohydrolase was probed with fluorescent chemo-affinity labeling using o-phthalaldehyde. OPTA has been known to form a fluorescent isoindole derivative by cross-linking the proximal thiol and amino groups of cysteine and lysine. Modification of lysine of the enzyme by TNBS and of cysteine residue by PHMB abolished the ability of the enzyme to form an isoindole derivative with OPTA. Kinetic analysis of the TNBS and PHMB-modified enzyme suggested the presence of essential lysine and cysteine residues, respectively, at the active site of the enzyme. The substrate protection of the enzyme with carboxymethylcellulose (CMC) confirmed the involvement of lysine and cysteine residues in the active site of the enzyme. Multiple sequence alignment of peptides obtained by tryptic digestion of the enzyme showed cysteine is one of the conserved amino acids corroborating the chemical modification studies. (c) 2006 Elsevier Inc. All rights reserved.</p>10a110a4-beta-D-glucan glucanohydrolase10aactive site microenvironment10aCysteine10alysine10aOPTA10aPHMB10aThermomonospora sp.10aTNBS1 aJagtap, Sharmili1 aRao, Mala  uhttps://library.ncl.res.in/content/conformation-and-microenvironment-active-site-low-molecular-weight-14-beta-d-glucan-001233nas a2200265   4500008004100000022001400041245008100055210006900136260010600205300001600311490000700327520031400334653000600648653000600654653001500660653002100675653001400696653002000710653003600730100002200766700002300788700001800811700002400829856011400853       2006                        eng d  a0040-402000aDesign and synthesis of fluconazole/bile acid conjugate using click reaction0 aDesign and synthesis of fluconazolebile acid conjugate using cli  aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcNOV  a11178-111860 v623 a<p>Novel fluconazole/bile acid conjugates were designed and their regioselective synthesis was achieved in very high yield via Cu(I) catalyzed intermolecular 1,3-dipolar cycloaddition. These new molecules showed good antifungal activity against Candida species. (c) 2006 Elsevier Ltd. All rights reserved.</p>10a110a210a3-Triazole10aAntifungal agent10abile acid10aClick chemistry10afluconazole/bile acid conjugate1 aPore, Vandana, S.1 aAher, Nilkanth, G.1 aKumar, Manish1 aShukla, Praveen, K.  uhttps://library.ncl.res.in/content/design-and-synthesis-fluconazolebile-acid-conjugate-using-click-reaction-001531nas 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<p><span style="color: rgb(51, 51, 51); font-family: arial, helvetica, sans-serif; font-size: 13px; line-height: 22px; background-color: rgb(248, 248, 248);">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.</span></p>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-101433nas a2200265   4500008004100000022001400041245011900055210006900174260010600243300001400349490000700363520042300370653000600793653001500799653002400814653002500838653003000863653002900893100002600922700002100948700002200969700002400991700002501015856012701040       2006                        eng d  a0040-403900aStereoselective syntheses of unnatural steroidal C(20R) aldehydes by ionic hydrogenation of C-20 tertiary alcohols0 aStereoselective syntheses of unnatural steroidal C20R aldehydes   aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcDEC  a9343-93470 v473 a<p>Syntheses of three unnatural steroidal C(20R) aldehydes have been realised from 16-dehydropregnenol one acetate. The salient feature of the synthesis is the ionic hydrogenation of C-20 tertiary alcohols leading to the formation of the C(20R) unnatural isomer with complete stereoselectivity. Oxidative hydrolysis of the dithiane moiety furnished the C(20R) aldehydes. (c) 2006 Elsevier Ltd. All rights reserved.</p>10a110a3-dithiane10aionic hydrogenation10aoxidative hydrolysis10astereoselective synthesis10aunnatural C-20 aldehydes1 aShingate, Bapurao, B.1 aHazra, Braja, G.1 aPore, Vandana, S.1 aGonnade, Rajesh, G.1 aBhadbhade, Mohan, M.  uhttps://library.ncl.res.in/content/stereoselective-syntheses-unnatural-steroidal-c20r-aldehydes-ionic-hydrogenation-c-20-001138nas a2200217   4500008004100000022001400041245015400055210006900209260011100278300001200389490000600401520023800407653000600645653002800651653002400679653002800703653002600731653001200757100002100769856013000790       2007                        eng d  a1570-178600aExcellent exo/endo-selectivity in the 1,3-dipolar cycloaddition of cyclic azomethine ylide: exploring the facile investigation of cocaine antagonists0 aExcellent exoendoselectivity in the 13dipolar cycloaddition of c  aEXECUTIVE STE Y26, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATESbBENTHAM SCIENCE PUBL LTDcJAN  a550-5520 v43 a<p>High exo-selectivity was achieved in the 1,3-dipolar cycloaddition of a cyclic azomethine ylide and phenyl vinyl sulfone or Opplozer's camphorsultam chiral dipolarophile leading to the synthesis of two novel tropane compounds.</p>10a110a3-dipolar cycloaddition10acocaine antagonists10acyclic azomethine ylide10aexo/endo-selectivity.10atropane1 aLaha, Joydev, K.  uhttps://library.ncl.res.in/content/excellent-exoendo-selectivity-13-dipolar-cycloaddition-cyclic-azomethine-ylide-exploring-001498nas a2200289   4500008004100000022001400041245011800055210006900173260010600242300001400348490000700362520041400369653000600783653002300789653002400812653002100836653001500857653002800872653002900900100002800929700002300957700002700980700002601007700002301033700002301056856012901079       2007                        eng d  a0040-403900aProtecting group directed ring-closing metathesis (RCM): the first total synthesis of an anti-malarial nonenolide0 aProtecting group directed ringclosing metathesis RCM the first t  aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcAPR  a2621-26250 v483 a<p>The first synthesis of a newly found naturally occurring anti-malarial nonenolide is described. A pivotal step in the synthesis is the ring-closing metathesis of a dienoic ester prepared by coupling an acid and alcohol that were stereoselectively synthesized from (S)-alpha-hydroxy-gamma-butyrolactone and 1,2-O-isopropylidene D-glyceraldchyde, respectively. (c) 2007 Elsevier Ltd. All rights reserved.</p>10a110a2-O-isopropylidene10aanti-malarial agent10aD-glyceraldehyde10aNonenolide10aRing-closing metathesis10aYamaguchi esterification1 aMohapatra, Debendra, K.1 aRamesh, Dhondi, K.1 aGiardello, Michael, A.1 aChorghade, Mukund, S.1 aGurjar, Mukund, K.1 aGrubbs, Robert, H.  uhttps://library.ncl.res.in/content/protecting-group-directed-ring-closing-metathesis-rcm-first-total-synthesis-anti-malarial01088nas a2200265   4500008004100000022001400041245007000055210006900125260010600194300000900300490000700309520017000316653000600486653000600492653001500498653002100513653002000534653004300554653002500597100002800622700002200650700002600672700002300698856010100721       2007                        eng d  a0385-541400aSyntheis of unusual tricyclic ring systems of biological interest0 aSyntheis of unusual tricyclic ring systems of biological interes  aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcDEC  a269+0 v733 a<p>We describe a new synthesis of tricyclic scaffolds that incorporate a fusion of triazole with 1,4-benzodiazepine utilizing intramolecular ``click'' chemistry.</p>10a110a210a3-Triazole10a4-benzodiazepine10aClick chemistry10anitrogen rich polycyclic hetero-system10aprivileged structure1 aMohapatra, Debendra, K.1 aMaity, Pradip, K.1 aChorghade, Mukund, S.1 aGurjar, Mukund, K.  uhttps://library.ncl.res.in/content/syntheis-unusual-tricyclic-ring-systems-biological-interest-003069nas a2200289   4500008004100000022001400041245025700055210006900312260007300381300001200454490000600466520192600472653000602398653001702404653001702421653002502438653002202463653001202485653003602497653001902533100002002552700001902572700002602591700002002617700001302637856012902650       2007                        eng d  a1293-255800aUnprecedented two-dimensional polymeric [Zn(OOC-C6H4-COO)(2)](2_)(n)[+H3N-(CH2)(3)-NH(3])(+)n system bearing one-dimensional chain of zinc(II) bis(phthalate) dianions held by propane-1,3-diammonium cations: crystal structure, thermal and fluorescent pr0 aUnprecedented twodimensional polymeric ZnOOCC6H4COO22nH3NCH23NH3  aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcJUN  a491-4950 v93 a<p>A novel zinc(II) phthalate compound, [Zn{C6H4(COO)(2)}(2)](n)(2-)[NH3-(CH2)(3)-NH3](n)(2+), 1 Which contains four different phthalate moieties coordinated to the Zn(II) ion through one each of their carboxyl ate moieties in a eta(1)-form and each phthalate moiety acting as a bridging unit with an overall tetrahedral geometry around the metal ion has been prepared and structurally characterized. The structure is unique in the sense that the dianionic moieties [Zn{C6H4(COO)(2)}(2)](2-) form an infinite one-dimensional network composed of 14-membered cyclic units interconnected in a way that they are disposed alternatively in almost perpendicular planes. The dicationic [NH3-(CH2)(3)-NH3](2+) units are seen to hold these one-dimensional chains by strong coulombic and hydrogen bond interaction, resulting in an infinite two-dimensional layered structure of 1. The compound is thermally stable up to 250 degrees C. Above this temperature it loses one equivalent of phthalate moiety along with the diammonium unit to yield Zn(II) phthalate. The thermodynamic and kinetic parameters associated with this process could be evaluated using Coats-Redfern equation which shows the activation energy Ea for the process as 305.0 kJ mol(-1), the frequency factor A as 1.49 x 10(11) s(-1) and the entropy change Delta S as -35.90 JK(-1) mol(-1). Fluorescent emission properties of 1 was studied by exciting the compound at 380 nm and also at 322 nm which were found to be the two lambda(max) corresponding to absorptions of the molecule. Interestingly, the compound gave same type of emission spectra showing a maximum around 444 nm on exciting at these two different wavelengths, indicating that the molecule comes to the first excited state from the higher excited state by a fast non-radiative process before it exhibits singlet emission to come to the ground state. (C) 2007 Elsevier Masson SAS. All rights reserved.</p>10a110a3-diammonium10acyclic chain10afluorescent emission10alayered structure10apropane10azinc(II) bis(phthalate) dianion10azinc-phthatate1 aPadmanabhan, A.1 aJoseph, K., C.1 aPuranik, Vedavati, G.1 aHuang, Xiaoying1 aLi, Jing  uhttps://library.ncl.res.in/content/unprecedented-two-dimensional-polymeric-znooc-c6h4-coo22nh3n-ch23-nh3n-system-bearing-one02128nas a2200301   4500008004100000022001400041245008500055210006900140260007600209300001200285490000700297520110700304653000601411653000601417653001601423653000601439653003201445653002401477653002701501653001901528100002201547700002701569700003501596700001801631700003401649700002601683856011701709       2008                        eng d  a1747-027700aAntibacterial activity of synthesized 2,4,5-trisubstituted imidazole derivatives0 aAntibacterial activity of synthesized 245trisubstituted imidazol  aCOMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USAbWILEY-BLACKWELLcSEP  a197-2040 v723 a<p>Some novel chemically synthesized 2,4,5-trisubstituted imidazoles from aryl aldehydes and 1,2-diketones or alpha-hydroxyketone were screened against eight different human pathogenic bacteria and fungi. Seven compounds were found to be active against different bacteria. These compounds showed variation in activity and were found to be active against Gram-positive as well as Gram-negative bacteria. Compound 4-(4,5-diphenyl-1H-imidazol-2-yl)-phenol, 3d was the only compound which showed activity against Klebsiella pneumoniae while rest of the compounds did not show significant activity against this micro-organism. Minimum inhibitory concentrations of the compounds were in the range of 0.50 to 6.1 mu g/mL and minimum bactericidal concentration ranges from 1.11 to 12.9 mu g/mL. The candidature of active compounds to be an effective and novel drug was examined based on Lipinski's rule of Five which explained ClogP, LogS, H-bond acceptors, H-Bond donors and rotational bonds. Compounds 3a-d and 3f satisfies Lipinski's rule of Five and could be proposed as potent new antibacterial drugs.</p>10a110a210a2-Diketones10a410a5-trisubstituted imidazoles10aalpha-hydroxyketone10aantibacterial activity10aaryl aldehydes1 aKhan, Mohd, Sajid1 aSiddiqui, Shafi, Ahmad1 aSiddiqui, Mohammad, Shaik Rafi1 aGoswami, Usha1 aSrinivasan, Kumar, Venkatrama1 aKhan, Mohammad, Islam  uhttps://library.ncl.res.in/content/antibacterial-activity-synthesized-245-trisubstituted-imidazole-derivatives-001642nas a2200289   4500008004100000022001400041245019100055210006900246260010300315300001400418490000700432520054400439653000600983653002800989653002101017653002201038653001801060653001501078653001301093653001201106100001901118700002701137700001701164700002001181700002601201856012501227       2008                        eng d  a0223-523400aConvenient access to 1, 3,4-trisubstituted pyrazoles carrying 5-nitrothiophene moiety via 1,3-dipolar cycloaddition of sydnones with acetylenic ketones and their antimicrobial evaluation0 aConvenient access to 1 34trisubstituted pyrazoles carrying 5nitr  a23 RUE LINOIS, 75724 PARIS, FRANCEbELSEVIER FRANCE-EDITIONS SCIENTIFIQUES MEDICALES ELSEVIERcAUG  a1715-17200 v433 a<p>Novel 1-aryl-3-(5-nitro-2-thienyl)-4-aroyl-pyrazoles 7 have been synthesized by the 1,3-dipolar cycloaddition of 3-arylsydnones 3 with 1-aryl-3-(5-nitro-2-thienyl)-2-propyn- 1-ones 6. The newly synthesized compounds were well characterized by elemental analysis, IR, (1)H NMR and mass spectral studies. They were also screened for their antibacterial and antifungal activities against a variety of microorganisms and the results of such studies have been discussed in this article. (c) 2007 Elsevier Masson SAS. All fights reserved.</p>10a110a3-dipolar cycloaddition10a5-nitrothiophene10aacetylenic ketone10aAntibacterial10aantifungal10aPyrazole10asydnone1 aRai, Satheesha1 aKalluraya, Balakrishna1 aLingappa, B.1 aShenoy, Shaliny1 aPuranik, Vedavati, G.  uhttps://library.ncl.res.in/content/convenient-access-1-34-trisubstituted-pyrazoles-carrying-5-nitrothiophene-moiety-13-001449nas a2200241   4500008004100000022001400041245013400055210006900189260008600258300001400344490000700358520055700365653000600922653001500928653001600943653001100959653002000970653001700990100002501007700002301032700002601055856012601081       2008                        eng d  a0039-791100aEfficient synthesis of quinoxalines in the ionic liquid 1-n-butylimidazolium tetrafluoroborate ([Hbim]BF4) at ambient temperature0 aEfficient synthesis of quinoxalines in the ionic liquid 1nbutyli  a325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USAbTAYLOR & FRANCIS INCcFEB  a3601-36120 v383 a<p>Quinoxaline derivatives have been synthesized in excellent yields using an ionic liquid (IL) (viz., 1-n-butylimidazolium tetrafluoroborate) as a reaction medium as well as promoter from various 1,2-diketones and aryl-1,2-diamines. The process is general for the synthesis of quinoxaline derivatives from aromatic as well as aliphatic-1,2-diketones. The advantages of the present method are ambient reaction temperature, simplicity of operation, high yields of products, the recyclability of the IL, and ecofriendly nature of the reaction medium.</p>10a110a2-diamines10a2-Diketones10aAryl-110aionicliquid(IL)10aquinoxalines1 aPotewar, Taterao, M.1 aIngale, Sachin, A.1 aSrinivasan, Kumar, V.  uhttps://library.ncl.res.in/content/efficient-synthesis-quinoxalines-ionic-liquid-1-n-butylimidazolium-tetrafluoroborate-001244nas a2200265   4500008004100000022001400041245007100055210006700126260008600193300001200279490000700291520036600298653000600664653001600670653002000686653001400706653001800720100002500738700002100763700002500784700002000809700002100829700002900850856009900879       2008                        eng d  a0039-791100aHighly efficient sulfimidation of 1,3-dithianes by Cu(I) complexes0 aHighly efficient sulfimidation of 13dithianes by CuI complexes  a325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USAbTAYLOR & FRANCIS INCcFEB  a619-6250 v383 a<p>A series of four Cu(I) complexes were tested for sulfimidation of 1,3-dithianes in the presence of [N-(p-tolysulfonyl)imino]phenyliodinane (PhI = NTs) as the nitrene-transfer agent. Cu(TMPhen)(PPh3)Br is an efficient catalyst with more than 90% yield of the corresponding product with less reaction time as compared to the literature copper(I) complexes.</p>10a110a3-dithianes10aCu(I) complexes10aPhI = NTs10asulfimidation1 aGiribabu, Lingamallu1 aSingh, Surya, P.1 aPatil, Nandkumar, M.1 aKantam, Lakshmi1 aGupte, Sunil, P.1 aChaudhari, Raghunath, V.  uhttps://library.ncl.res.in/content/highly-efficient-sulfimidation-13-dithianes-cui-complexes-001436nas a2200253   4500008004100000022001400041245013600055210006900191260006100260300001200321490000700333520051200340653000600852653003200858653003600890653001400926653002300940653001200963100001600975700002500991700001701016700002301033856012601056       2008                        eng d  a0959-399300aLipases catalyzed enantioselective hydrolysis of (R,S)-methyl 1,4-benzodioxan-2-carboxylate intermediate for (S)-doxazosin mesylate0 aLipases catalyzed enantioselective hydrolysis of RSmethyl 14benz  a233 SPRING STREET, NEW YORK, NY 10013 USAbSPRINGERcAPR  a577-5790 v243 a<p>(S)-1,4-benzodioxan-2-carboxylic acid-1 is used as starting compound for the production of the more effective (S) enantiomer of the drug doxazosin mesylate. The catalytic ability of some commercial lipases for preparations of (S) enantiomer of 1 from (+/-) methyl 1,4-benzodioxin-2-carboxylate-2 is reported. Lipases from bacterial sources were more successful in resolving the ester than those from the yeast lipases. About 85% enantiomerically pure ester was achieved by lipase from alcaligenes sp.</p>10a110a4-benzodioxan-2-carboxylate10a4-benzodioxan-2-carboxylic acid10adoxazosin10aEnantioselectivity10aLipases1 aVarma, Rita1 aKasture, Sangita, M.1 aNene, Sanjay1 aKalkote, Uttam, R.  uhttps://library.ncl.res.in/content/lipases-catalyzed-enantioselective-hydrolysis-rs-methyl-14-benzodioxan-2-carboxylate-001268nas a2200229   4500008004100000022001400041245010300055210006900158260010600227300001400333490000700347520041000354653000600764653002000770653000600790653003200796653002700828653001200855100002600867700002200893856012300915       2008                        eng d  a0040-403900aShort enantioselective synthesis of (+)-L-733,060 via Shi epoxidation of a homoallylic carboxylate0 aShort enantioselective synthesis of L733060 via Shi epoxidation   aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcSEP  a5736-57380 v493 a<p>A short and efficient enantioselective synthesis of (+)-L-733,060 in 92% ee via Shi epoxidation of a homoallylic carboxylate is described. Johnson-Claisen rearrangement was employed to obtain the required carbon backbone, whilst intramolecular reductive O-to-N-ring expansion of a delta-azidolactone was used in the construction of the piperidine moiety. (C) 2008 Elsevier Ltd. All rights reserved.</p>10a110a2-aminoalcohols10a310a3-sigmatropic rearrangement10aasymmetric epoxidation10aLactone1 aEmmanuvel, Lourdusamy1 aSudalai, Arumugam  uhttps://library.ncl.res.in/content/short-enantioselective-synthesis-l-733060-shi-epoxidation-homoallylic-carboxylate-001844nas a2200325   4500008004100000022001400041245011200055210006900167260009800236300001400334490000700348520076600355653001301121653001401134653001401148653000601162653000601168653001601174653000901190653000801199653001701207100002601224700002401250700001601274700002701290700002601317700002401343700002401367856012701391       2008                        eng d  a0749-158100aStructural elucidation of propargylated products of 3-substituted-1,2,4-triazole-5-thiols by NMR techniques0 aStructural elucidation of propargylated products of 3substituted  aTHE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLANDbJOHN WILEY & SONS LTDcDEC  a1168-11740 v463 a<p>Propargylation of 3-substituted-1,2,4-triazole-5-thiols, which predominantly exist as their thione tautomers, was carried out with the view to synthesize different heterocycles and study their biological activity. Three different products namely, a mono S-propargyl and two S,N-dipropargyl regioisomers, arising from N1/N2 substitution, were isolated and characterized. Unambiguous structural elucidation of the regioisomers of S,N-dipropargyl derivatives was achieved by means of (13)C-(1)H HMBC technique. The proportion of the regioisomers was found to vary with the substituent on the 1,2,4-triazole thiols. No product corresponding to N4 substitution was isolated from any of the reactions carried out. Copyright (C) 2008 John Wiley &amp; Sons, Ltd.</p>10a(1)H NMR10a(13)C NMR10a(15)N NMR10a110a210a4-triazoles10aHMBC10aNMR10aRegioisomers1 aChaudhary, Preeti, M.1 aChavan, Sayalee, R.1 aKavitha, M.1 aMaybhate, Shailaja, P.1 aDeshpande, Sunita, R.1 aLikhite, Anjali, P.1 aRajamohanan, P., R.  uhttps://library.ncl.res.in/content/structural-elucidation-propargylated-products-3-substituted-124-triazole-5-thiols-nmr-001830nas a2200289   4500008004100000022001400041245018300055210006900238260010600307300001400413490000700427520067100434653000601105653000601111653000601117653002201123653003501145653003601180653003201216653003301248653002901281100002601310700002701336700002201363700002601385856012901411       2008                        eng d  a0040-402000aUse of the pictet-spengler reaction for the synthesis of 1,4-disubstituted-1,2,3,4-tetrahydro-beta-carbolines and 1,4-disubstituted-beta-carbolines: formation of gamma-carbolines0 aUse of the pictetspengler reaction for the synthesis of 14disubs  aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcFEB  a1654-16620 v643 a<p>Microwave-assisted conjugate addition of indole on nitro-olefins furnished nitro compounds, which were reduced to tryptamines. Further, by using Pictet-Spengler condensation, new 1,4-disubstituted-1,2,3,4-tetrahydro-beta-carbolines were synthesized in diastereoselective manner. Dehydrogenation of the tetrahydro-beta-carbolines produced new 1,4-disubstituted-beta-carbolines. As a new observation, in some of the cases, Pictet-Spengler condensation and dehydrogenation gave two products, namely 1,4-disubstituted-beta-carbolines and 1,4-disubstituted-gamma-carbolines. A mechanism is proposed for this observation. (C) 2007 Elsevier Ltd. All rights reserved.</p>10a110a210a310a4-Disubstituted-110a4-disubstituted-beta-carboline10a4-disubstituted-gamma-carboline10a4-tetrahydro-beta-carboline10a4-tetrahydro-gamma-carboline10aPictet-Spengler reaction1 aKusurkar, Radhika, S.1 aAlkobati, Nabil, A. H.1 aGokule, Anita, S.1 aPuranik, Vedavati, G.  uhttps://library.ncl.res.in/content/use-pictet-spengler-reaction-synthesis-14-disubstituted-1234-tetrahydro-beta-carbolines-002379nas a2200385   4500008004100000022001400041245010600055210006900161260010600230300001400336490000700350520105700357653000601414653000601420653002801426653001501454653002201469653002101491653002501512653002901537653001901566653002401585100002601609700002401635700001901659700002201678700001901700700002701719700002401746700002401770700002101794700002601815700002601841856012601867       2009                        eng d  a0968-089600aExploration of click reaction for the synthesis of modified nucleosides as chitin synthase inhibitors0 aExploration of click reaction for the synthesis of modified nucl  aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcMAR  a2433-24400 v173 a<p>Click reaction approach toward the synthesis of two sets of novel 1,2,3-triazolyl linked uridine derivatives 19a-19g and 21a-21g was achieved by Cu(I)-catalyzed 1,3-dipolar cycloaddition of 5'-azido-5'-deoxy-2',3'-O-(1-methylethylidene) uridine (17) with propargylated ether of phenols 18a-18g and propargylated esters 20a-20g. Structure of one of the representative compound 19d was unambiguously confirmed by X-ray crystallography. Chitin synthase inhibition study of all these compounds 19a-19g and 21a-21g was carried out to develop antifungal strategy. Compounds 19d, 19e, 19f, and 21f were identified as potent chitin synthase inhibitors by comparing with nikkomycin. Compounds 19a, 19b, 19c, 19d, 21a, and 21b showed good antifungal activity against human and plant pathogens. Compounds 19a, 19b, 19f, 21c, 21f, and 21g were identified as lead chitin synthase inhibitors for further modi. cations by comparing results of inhibition of growth, % germ tube formation and chitin synthase activity. (C) 2009 Elsevier Ltd. All rights reserved.</p>10a110a210a3-dipolar cycloaddition10a3-Triazole10a4-Disubstituted-110a5 `-Azidouridine10aAntifungal compounds10aChitin synthase activity10aClick reaction10aUridine nucleosides1 aChaudhary, Preeti, M.1 aChavan, Sayalee, R.1 aShirazi, Fazal1 aRazdan, Meenakshi1 aNimkar, Prachi1 aMaybhate, Shailaja, P.1 aLikhite, Anjali, P.1 aGonnade, Rajesh, G.1 aHazra, Braja, G.1 aDeshpande, Mukund, V.1 aDeshpande, Sunita, R.  uhttps://library.ncl.res.in/content/exploration-click-reaction-synthesis-modified-nucleosides-chitin-synthase-inhibitors-001479nas a2200241   4500008004100000022001400041245016200055210006900217260007500286300001400361520051000375653000600885653005000891653002500941653001600966653001500982653001200997100002501009700002501034700002601059700002301085856012901108       2009                        eng d  a0936-521400aHighly diastereoselective 1,3-dipolar cycloaddition of a D-galactose-derived nitrone with dimethyl maleate: synthesis of polyhydroxylated perhydroazaazulenes0 aHighly diastereoselective 13dipolar cycloaddition of a Dgalactos  aRUDIGERSTR 14, D-70469 STUTTGART, GERMANYbGEORG THIEME VERLAG KGcJUL  a1959-19633 a<p>An intermolecular 1,3-dipolar cycloaddition of a D-galactose-derived nitrone with dimethyl maleate was found to be perfectly diastereoselective at the nitrone carbon to give exclusive formation of isoxazolidine. The N-O bond reductive cleavage in isoxazolidine followed by lactam reduction afforded a pyrrolidine ring skeleton with sugar appendage that on acetonide cleavage and reductive amino-cyclization gave hitherto unknown hydroxymethyl-substituted hexa- and pentahydroxy perhydroazaazulenes.</p>10a110a3-dipolar nitrone olefin cycloaddition (DNOC)10adiastereoselectivity10aIminosugars10ainhibitors10anitrone1 aBande, Omprakash, P.1 aJadhav, Vrushali, H.1 aPuranik, Vedavati, G.1 aDhavale, Dilip, D.  uhttps://library.ncl.res.in/content/highly-diastereoselective-13-dipolar-cycloaddition-d-galactose-derived-nitrone-dimethyl-001696nas a2200289   4500008004100000022001400041245009900055210006900154260007300223300001400296490000700310520072300317653000601040653001701046653001801063653001401081653002201095653001901117653002501136100002101161700001701182700002001199700002201219700001901241700002501260856012101285       2009                        eng d  a1566-736700aMoO3/SiO2: an efficient and selective catalyst for the synthesis 1,3-dioxolane and 1,3-dioxane0 aMoO3SiO2 an efficient and selective catalyst for the synthesis 1  aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcMAY  a1404-14090 v103 a<p>A series of MoO3/SiO2 catalysts with varying amounts of MoO3 has been synthesized and the catalytic activities of these were compared with the known solid acid catalysts in the synthesis of 1,3-dioxolane. MoO3/SiO2 catalyst showed a better activity and selectivity in 1,3-dioxolane synthesis compared to the other catalysts. MoO3/SiO2 catalyst system was further successfully applied for the synthesis of 1,3-dioxanes in the Prins cyclization of olefins and formaldehyde. The proposed catalyst was thermally stable and could be recovered and reused at least in four consecutive cycles with no significant loss in the substrates conversions and products selectivities. (C) 2009 Elsevier B.V. All rights reserved.</p>10a110a3-Dioxolanes10aCycloaddition10aMoO3/SiO210aPrins cyclization10aSol-gel method10asolid acid catalysts1 aAmrute, Amol, P.1 aSahoo, Suman1 aBordoloi, Ankur1 aHwang, Young, Kyu1 aHwang, Jin-Soo1 aHalligudi, Shiva, B.  uhttps://library.ncl.res.in/content/moo3sio2-efficient-and-selective-catalyst-synthesis-13-dioxolane-and-13-dioxane-001213nas a2200229   4500008004100000022001400041245011100055210006900166260008600235300001800321490000700339520036100346653000600707653003000713653001800743653001600761653001200777100001900789700002300808700002600831856012600857       2009                        eng d  a0039-791100aProline-catalyzed simple and efficient synthesis of 1,8-dioxo-decahydroacridines in aqueous ethanol medium0 aProlinecatalyzed simple and efficient synthesis of 18dioxodecahy  a325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USAbTAYLOR & FRANCIS INCcDEC  aPII 9071279190 v393 a<p>Proline-catalyzed synthesis of 1,8-dioxo-decahydroacridines is achieved via one-pot, three-component condensation of aromatic aldehydes, cyclic diketone, and aryl amines in aqueous ethanol medium. This method offers the advantages of proceeding in neutral and mild conditions, giving high to excellent yields of acridines with easy workup procedure.</p>10a110a8-dioxodecahydroacridines10aaqueous media10aone-pot MCR10aProline1 aVenkatesan, K.1 aPujari, Suresh, S.1 aSrinivasan, Kumar, V.  uhttps://library.ncl.res.in/content/proline-catalyzed-simple-and-efficient-synthesis-18-dioxo-decahydroacridines-aqueous-001939nas a2200301   4500008004100000022001400041245008900055210006900144260010600213300001200319490000700331520093200338653000601270653000601276653001501282653002101297653001401318653001501332653001601347100002301363700002201386700002601408700001801434700002401452700002001476700002001496856012101516       2009                        eng d  a0960-894X00aSynthesis and antifungal activity of 1,2,3-triazole containing fluconazole analogues0 aSynthesis and antifungal activity of 123triazole containing fluc  aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcFEB  a759-7630 v193 a<p>Fluconazole based novel mimics containing 1,2,3-triazole were designed and synthesized as antifungal agents. Their antifungal activities were evaluated in vitro by measuring the minimal inhibitory concentrations (MICs). Compounds 12, 15, and 16 were found to be more potent against Candida fungal pathogens than control drugs fluconazole and amphotericin B. The studies presented here provide structural modi. cation of fluconazole to give 1,2,3-trazole containing molecules. Furthermore, these molecules were evaluated in vivo against Candida albicans intravenous challenge in Swiss mice and antiproliferative activities were tested against human hepatocellular carcinoma Hep3B and human epithelial carcinoma A431. It was found that compound 12 resulted in 97.4% reduction in fungal load in mice and did not show any profound proliferative effect at lower dose (0.001 mg/ml). (C) 2008 Elsevier Ltd. All rights reserved.</p>10a110a210a3-Triazole10aAntifungal agent10abile acid10aConjugates10aFluconazole1 aAher, Nilkanth, G.1 aPore, Vandana, S.1 aMishra, Nripendra, N.1 aKumar, Awanit1 aShukla, Praveen, K.1 aSharma, Aanchal1 aBhat, Manoj, K.  uhttps://library.ncl.res.in/content/synthesis-and-antifungal-activity-123-triazole-containing-fluconazole-analogues-001413nas a2200229   4500008004100000022001400041245008200055210006900137260008600206300001800292490000700310520060700317653000600924653001500930653001500945653002200960653001500982653002400997100002701021700002501048856011001073       2010                        eng d  a0039-791100aAddition of a silyl ketene acetal to alpha,beta-unsaturated cyclic anhydrides0 aAddition of a silyl ketene acetal to alphabetaunsaturated cyclic  a325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USAbTAYLOR & FRANCIS INCcJUL  aPII 9247712650 v403 a<p>Addition of [1-methoxy-2 methyl-1-propenyl)-oxy] trimethylsilane (MTS) to unsymmetrical ,-unsaturated cyclic anhydrides (namely, itaconic anhydride and citraconic anhydride) as well as symmetrical anhydrides (namely, maleic anhydride and 2,3-dimethylmaleic anhydride) was investigated. Itaconic anhydride isomerizes to citraconic anhydride in the presence of MTS. In the presence of Lewis acid catalysts (Yb(OTf)3/CH2Cl2), MTS adds to itaconic anhydride at room temperature in a 1,4-fashion. 1,2-Addition is the preferred pathway with both 2,3-dimethyl maleic anhydride and citraconic anhydride.</p>10a110a2-Addition10a4-addition10acyclic anhydrides10aLewis acid10aSilyl ketene acetal1 aGnaneshwar, Rudhramyna1 aSivaram, Swaminathan  uhttps://library.ncl.res.in/content/addition-silyl-ketene-acetal-alphabeta-unsaturated-cyclic-anhydrides-001646nas a2200277   4500008004100000022001400041245008400055210006900139260005700208300001200265490000800277520071600285653000601001653001801007653002401025653001301049653002901062100002101091700002101112700002501133700002801158700002301186700002101209700002901230856010901259       2010                        eng d  a1011-372X00aCu:Al Nano catalyst for selective hydrogenolysis of glycerol to 1,2-propanediol0 aCuAl Nano catalyst for selective hydrogenolysis of glycerol to 1  a233 SPRING ST, NEW YORK, NY 10013 USAbSPRINGERcMAR  a141-1470 v1353 a<p>Non-chromium Cu:Al nano catalyst prepared by simultaneous co-precipitation and digestion method without any template or stabilizer, showed three times higher activity than the bulk Cu-Cr catalyst for hydrogenolysis of glycerol in both isopropanol and water solvents, with the selectivity to 1,2-Propanediol (1,2-PDO) as high as 91% at 493 K and H(2) pressure of 7 MPa in 5 h. XRD pattern showed the presence of Cu(+) species in the activated Cu: Al nano catalyst. Although Cu(+) is catalytically inactive in glycerol hydrogenolysis reaction, the presence of Cu(+) helps to stabilize the particle size in a narrow range of 7-11 nm by inhibiting the sintering of copper particles under reaction conditions.</p>10a110a2-Propanediol10aCu:Al nano catalyst10aGlycerol10aSelective hydrogenolysis1 aMane, Rasika, B.1 aHengne, Amol, M.1 aGhalwadkar, Ajay, A.1 aVijayanand, Subramanian1 aMohite, Pravin, H.1 aPotdar, Hari, S.1 aRode, Chandrashekhar, V.  uhttps://library.ncl.res.in/content/cual-nano-catalyst-selective-hydrogenolysis-glycerol-12-propanediol-001275nas a2200229   4500008004100000022001400041245009800055210006900153260010600222300001400328490000700342520039700349653000600746653001900752653003000771653002300801653003200824100001800856700002600874700002800900856011700928       2010                        eng d  a0040-403900aStereocontrolled route to the synthesis of (+/-)-3-amino-2,2-dimethyl-1,3-diphenylpropan-1-ol0 aStereocontrolled route to the synthesis of 3amino22dimethyl13dip  aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcNOV  a5927-59290 v513 a<p>Both the diastereomers of (+/-)-3-amino-2,2-dimethyl-1,3-diphenylpropan-1-ol were synthesized starting from a common intermediate, namely,B-hydroxy, oxime 6. Diastereoselective reduction with NaBH(4)/TiCl(4) and H(2)-Pd/C provided syn- and anti-isomers, respectively. Good overall yield and selectivity were realized using a simple protocol. (C) 2010 Elsevier Ltd. All rights reserved.</p>10a110a3-Aminoalcohol10aAldol-Tishchenko reaction10abeta-Hydroxy oxime10aDiastereoslective reduction1 aPatil, M., N.1 aBhowmick, Kartick, C.1 aJoshi, Navalkishore, N.  uhttps://library.ncl.res.in/content/stereocontrolled-route-synthesis-3-amino-22-dimethyl-13-diphenylpropan-1-ol-001640nas a2200289   4500008004100000022001400041245014900055210006900204260010300273300001400376490000700390520057200397653000600969653000600975653003100981653001501012653001801027653001501045653002001060100002601080700002301106700002601129700002301155700002601178700002801204856011801232       2010                        eng d  a0223-523400aSynthesis and biological evaluation of new 2-chloro-3-((4-phenyl-1H-1,2,3-triazol-1-yl)methyl)quinoline derivatives via click chemistry approach0 aSynthesis and biological evaluation of new 2chloro34phenyl1H123t  a23 RUE LINOIS, 75724 PARIS, FRANCEbELSEVIER FRANCE-EDITIONS SCIENTIFIQUES MEDICALES ELSEVIERcJUL  a3142-31460 v453 a<p>Synthesis of new 2-chloro-3-((4-phenyl-1H-1,2,3-triazol-1-yl)methyl)quinoline derivatives (4a-h) using 1,3-dipolar cycloaddition (click chemistry) reaction of 3-(azidomethyl)-2-chloro-quinoline derivatives (3a-h) with phenyl acetylene in the presence of Cu(I) catalyst has been achieved in very high yield. These molecules were evaluated in vitro for their antifungal and antibacterial activity. Most of the compounds exhibited significant antifungal and antibacterial activity against all the tested strains. (C) 2010 Elsevier Masson SAS. All rights reserved.</p>10a110a210a2-Chloro3-formyl quinoline10a3-Triazole10aAntibacterial10aantifungal10aClick chemistry1 aKategaonkar, Amol, H.1 aShinde, Pravin, V.1 aKategaonkar, Atul, H.1 aPasale, Sharad, K.1 aShingate, Bapurao, B.1 aShingare, Murlidhar, S.  uhttps://library.ncl.res.in/content/synthesis-and-biological-evaluation-new-2-chloro-3-4-phenyl-1h-123-triazol-1-001137nas a2200241   4500008004100000022001400041245011300055210006900168260010600237300001400343490000700357520021200364653000600576653001900582653001100601653004400612653001600656653003200672100002000704700003200724700001900756856012000775       2010                        eng d  a0040-402000aSynthesis of (-)-galantinic acid via iterative hydrolytic kinetic resolution and tethered aminohydroxylation0 aSynthesis of galantinic acid via iterative hydrolytic kinetic re  aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcAPR  a3159-31640 v663 a<p>A new synthetic strategy for (-)-galantinic acid is reported using iterative hydrolytic kinetic resolution and tethered aminohydroxylation as the key steps. (C) 2010 Elsevier Ltd. All rights reserved.</p>10a110a2-Aminoalcohol10a3-Diol10aIterative hydrolytic kinetic resolution10aselectivity10aTethered aminohydroxylation1 aDubey, Abhishek1 aKauloorkar, Shruti, Vandana1 aKumar, Pradeep  uhttps://library.ncl.res.in/content/synthesis-galantinic-acid-iterative-hydrolytic-kinetic-resolution-and-tethered-001119nas a2200229   4500008004100000022001400041245009900055210006900154260007500223300001400298520027300312653000600585653002000591653001800611653003400629653001100663653001600674100002800690700001900718700002400737856012800761       2010                        eng d  a0039-788100aSynthesis of the antibacterial benzoquinone primin and its water-soluble analogue, primin acid0 aSynthesis of the antibacterial benzoquinone primin and its water  aRUDIGERSTR 14, D-70469 STUTTGART, GERMANYbGEORG THIEME VERLAG KGcAPR  a1141-11443 a<p>The biologically active natural product, primin and its water-soluble acid analogue, primin acid are prepared in 34% and 25% overall yields, respectively, from a common intermediate using a Grignard reaction and a Johnson-Claisen rearrangement as the key steps.</p>10a110a4-benzoquinones10aAntibacterial10aJohnson-Claisen rearrangement10aprimin10aprimin acid1 aBhattacharya, Asish, K.1 aKaur, Tanpreet1 aGanesh, Krishna, N.  uhttps://library.ncl.res.in/content/synthesis-antibacterial-benzoquinone-primin-and-its-water-soluble-analogue-primin-acid-001400nas a2200241   4500008004100000022001400041245014000055210006900195260010600264300001400370490000700384520047100391653000600862653001900868653003000887653001600917653001800933653001500951100001800966700002400984700002801008856012201036       2010                        eng d  a0040-402000aSynthesis, resolution, and applications of 3-amino-2,2-dimethy1-1,3-diphenylpropan-1-ol, a conformationally restricted 1,3-aminoalcohol0 aSynthesis resolution and applications of 3amino22dimethy113diphe  aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcJUL  a5036-50410 v663 a<p>Efficient synthetic routes to both syn and anti diastereomers of a conformationally restricted 1,3-aminoalcohol were devised. Resolution of the aminoalcohols was accomplished through diastereomeric salt with R-(-)-O-acetyl mandelic acid. These aminoalcohols were examined as ligands for two standard reactions, namely, enantioselective addition of Et(2)Zn to aldehydes and reduction of prochiral ketones with BH(3). (C) 2010 Elsevier Ltd. All rights reserved.</p>10a110a3-Aminoalcohol10aAldol-Tishchenko reaction10aDiethylzinc10aOxazaborinane10aResolution1 aPatil, M., N.1 aGonnade, Rajesh, G.1 aJoshi, Navalkishore, N.  uhttps://library.ncl.res.in/content/synthesis-resolution-and-applications-3-amino-22-dimethy1-13-diphenylpropan-1-ol-001054nas a2200217   4500008004100000022001400041245013300055210006900188260005700257300001200314490000700326520023300333653000600566653002800572653002800600653002500628653002200653653001400675100002100689856012600710       2010                        eng d  a0009-313000aTotal synthesis of tropinone using 1,3-dipolar cycloaddition of cyclic azomethine ylide and phenyl vinyl sulfone as the key step0 aTotal synthesis of tropinone using 13dipolar cycloaddition of cy  a233 SPRING ST, NEW YORK, NY 10013 USAbSPRINGERcMAY  a254-2560 v463 a<p>Total synthesis of tropinone from the readily available piperidone 2 is described. The rapid assembly of the tropane skeleton was achieved by 1,3-dipolar cycloaddition of cyclic azomethine ylide 3 to phenyl vinyl sulfone.</p>10a110a3-dipolar cycloaddition10acyclic azomethine ylide10aphenyl vinyl sulfone10atropane alkaloids10atropinone1 aLaha, Joydev, K.  uhttps://library.ncl.res.in/content/total-synthesis-tropinone-using-13-dipolar-cycloaddition-cyclic-azomethine-ylide-and-000855nas a2200217   4500008004100000022001400041245008100055210006900136260010600205300001400311490000700325520005700332653000600389653001500395653002500410653002200435653001500457100002500472700002800497856011200525       2011                        eng d  a0040-403900aBidentate ligand-catalyzed enantioselective addition of RZnX to benzaldehyde0 aBidentate ligandcatalyzed enantioselective addition of RZnX to b  aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcNOV  a6501-65030 v523 a<p>{Enantioselective addition of RZnX (R = alkyl</p>10a110a2-Addition10aAsymmetric synthesis10aChelating ligands10aOrganozinc1 aJagtap, Ravindra, S.1 aJoshi, Navalkishore, N.  uhttps://library.ncl.res.in/content/bidentate-ligand-catalyzed-enantioselective-addition-rznx-benzaldehyde-001397nas a2200241   4500008004100000022001400041245013900055210006900194260007300263300001200336490000700348520048800355653000600843653004800849653001700897653001200914653001700926653001700943653002700960100002400987700001901011856012501030       2011                        eng d  a1350-417700aConvenient and efficient protocol for the synthesis of acylals catalyzed by bronsted acidic ionic liquids under ultrasonic irradiation0 aConvenient and efficient protocol for the synthesis of acylals c  aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcSEP  a928-9310 v183 a<p>The synthesis of acylals (1,1-diacetates) via the reactions of aldehydes with acetic anhydride was carried Out in 85-97% yields at room temperature under ultrasound irradiation catalyzed by the Bronsted acidic ionic liquid [bmpy]HSO(4). This method provides several advantages, such as solvent-free conditions, operational simplicity, higher yields, and reduced environmental consequences. The ionic liquid was recovered and reused. (C) 2011 Elsevier B.V. All rights reserved.</p>10a110a1-Butyl-3-methylpyridinium hydrogen sulfate10a1-Diacetates10aAcylals10aIonic liquid10aSolvent-free10aUltrasonic irradiation1 aBorikar, Sanjay, P.1 aDaniel, Thomas  uhttps://library.ncl.res.in/content/convenient-and-efficient-protocol-synthesis-acylals-catalyzed-bronsted-acidic-ionic-001544nas a2200253   4500008004100000022001400041245015800055210006900213260011700282300001000399520049000409653000600899653000600905653000600911653002300917653003800940653003200978653004801010653002401058100003001082700002601112700002601138856012601164       2011                        eng d  a1551-700400aDiastereoselective synthesis of 1,1,4-trisubstituted-2,3,4,9-tetrahydrospiro-beta-carbolines via glacial acetic acid catalyzed pictet - spengler reaction0 aDiastereoselective synthesis of 114trisubstituted2349tetrahydros  aC/O ALAN R KATRITZKY, UNIV FLORIDA, DEPT CHEMISTRY, PO BOX 117200, GAINESVILLE, FL 32611 USAbARKAT USA INCcOCT  a41-563 a<p>The Pictet-Spengler reaction of substituted tryptamines with cyclic ketones using glacial acetic acid afforded only one diastereomer of unreported 1,1,4-trisubstituted-2,3,4,9-tetrahydrospiro-beta-carbolines. The stereoselectivity in the reaction has been demonstrated using unsymmetrical ketones and single-crystal X-ray analysis of one of the spiro products in the form of base, its sulfate and hydrochloride salts, which indicated the formation of only the R, R diastereomer.</p>10a110a310a410a4-Trisubstituted-210a9-tetrahydrospiro-beta-carbolines10abeta-substituted tryptamine10aDiastereoselective Pictet-Spengler reaction10aGlacial acetic acid1 aShumaila, Abdullah, M. A.1 aPuranik, Vedavati, G.1 aKusurkar, Radhika, S.  uhttps://library.ncl.res.in/content/diastereoselective-synthesis-114-trisubstituted-2349-tetrahydrospiro-beta-carbolines-001453nas a2200229   4500008004100000022001400041245016900055210006900224260007300293300001200366490000800378520054500386653000600931653000600937653003700943653003600980653002501016653002101041100002001062700001701082856012401099       2011                        eng d  a0926-860X00aImmobilization of 1,5,7-triazabicyclo [4.4.0] dec-5-ene over mesoporous materials: an efficient catalyst for michael-addition reactions under solvent-free condition0 aImmobilization of 157triazabicyclo 440 dec5ene over mesoporous m  aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcAPR  a250-2580 v3973 a<p>Immobilization of 1,5,7-triazabicyclo [4.4.0] dec-5-ene (TBD, a bicylic guanidine base) over mesoporous material like SBA-15 has been found to be an excellent catalyst for Michael-addition of beta-nitro styrene with malonate. The reactions were performed under solvent-free condition at 373 K for 9 h. A wide variety of Michael donors and acceptors were investigated. Among them, high yield of Michael product was obtained for the reaction between p-Cl-nitrostyrene with dimethyl malonate. (C) 2011 Elsevier B.V. All rights reserved.</p>10a110a510a7-triazabicyclo[4.4.0] dec-5-ene10abeta-nitro styrene and malonate10amesoporous materials10aMichael-addition1 aKalita, Pranjal1 aKumar, Rajiv  uhttps://library.ncl.res.in/content/immobilization-157-triazabicyclo-440-dec-5-ene-over-mesoporous-materials-efficient-001769nas a2200265   4500008004100000022001400041245008200055210006900137260007300206300001200279490000800291520089000299653000601189653002301195653001101218653001601229653002801245653002001273100001701293700002501310700002101335700002401356700001701380856010601397       2011                        eng d  a0920-586100aRole of promoters in copper chromite catalysts for hydrogenolysis of glycerol0 aRole of promoters in copper chromite catalysts for hydrogenolysi  aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcAPR  a447-4500 v1643 a<p>Various copper chromite catalysts with and without promoters were prepared by simultaneous co-precipitation and digestion technique and the role of promoters (Al, Ba and Zn) was investigated for hydrogenolysis of glycerol to 1,2-propylene glycol (1,2-PG) in both batch and continuous operations. Among various promoters studied, copper chromite catalyst with Ba as a promoter showed the highest activity and selectivity of 85% to 1,2-PG. This catalyst was found to be active for more than 800 h in a continuous operation also. Ammonia TPD results showed that barium promoted copper chromite catalyst had the highest acidity which facilitates the dehydration of glycerol to acetol which is the first step in hydrogenolysis of glycerol to 1,2-PG. The effect of barium content and variation in the promoters combination was also studied. (C) 2010 Elsevier B.V. All rights reserved.</p>10a110a2-Propylene glycol10aAcetol10aAmmonia TPD10aGlycerol hydrogenolysis10aSurface acidity1 aMane, R., B.1 aGhalwadkar, Ajay, A.1 aHengne, Amol, M.1 aSuryawanshi, Y., R.1 aRode, C., V.  uhttps://library.ncl.res.in/content/role-promoters-copper-chromite-catalysts-hydrogenolysis-glycerol-001896nas a2200277   4500008004100000022001400041245008600055210006900141260007300210300001000283490000800293520099500301653000601296653001801302653001801320653001501338653001201353653002801365100001701393700001701410700001901427700001801446700002201464700001801486856011401504       2012                        eng d  a0920-586100aCopper modified waste fly ash as a promising catalyst for glycerol hydrogenolysis0 aCopper modified waste fly ash as a promising catalyst for glycer  aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcAUG  a31-370 v1903 a<p>Several catalyst formulations using waste fly ash along with Cu were prepared and characterised by XRD, BET and TEM. These catalysts were also evaluated for the first time for hydrogenolysis of glycerol to 1,2 propanediol (1,2-PDO) in a batch reactor under 52 bar H-2 pressure in the temperature range of 473-513 K conditions. The fly ash pretreated by alkali using the fusion method and impregnated with Cu showed higher activity and stability for glycerol hydrogenolysis. Due to pretreatment with alkali at high temperature, transformation of alpha-quartz to the tridymite phase of SiO2 occurred. More importantly, use of alkali either during the pretreatment or the Cu loading step resulted in a high dispersion on the surface which was responsible for higher glycerol conversion and 1,2-PDO selectivity. The effects of temperature, Cu loading and solvent on glycerol conversion and product selectivities were also studied in this work. (C) 2011 Elsevier B.V. All rights reserved.</p>10a110a2-Propanediol10aAlkali fusion10aCu loading10aFly ash10aGlycerol hydrogenolysis1 aRode, C., V.1 aMane, R., B.1 aPotdar, A., S.1 aPatil, P., B.1 aNiphadkar, P., S.1 aJoshi, P., N.  uhttps://library.ncl.res.in/content/copper-modified-waste-fly-ash-promising-catalyst-glycerol-hydrogenolysis-001107nas a2200241   4500008004100000022001400041245009100055210006900146260010600215300001400321490000700335520023000342653000600572653001600578653002200594653000800616100002500624700002100649700002300670700002600693700002600719856012000745       2012                        eng d  a0040-403900aNew synthetic route for 1,2-diketo compounds using unexpected C-C bond cleavage by PCC0 aNew synthetic route for 12diketo compounds using unexpected CC b  aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcSEP  a5327-53300 v533 a<p>An efficient method has been established for the preparation of 1,2-diketones by unexpected C-C bond cleavage in 4-keto-2-hydroxy esters using pyridiniumchlorochromate (PCC). (c) 2012 Elsevier Ltd. All rights reserved.</p>10a110a2-Diketones10aC-C bond cleavage10aPCC1 aBhosale, Shrikar, M.1 aMomin, Aadil, A.1 aGawade, Rupesh, L.1 aPuranik, Vedavati, G.1 aKusurkar, Radhika, S.  uhttps://library.ncl.res.in/content/new-synthetic-route-12-diketo-compounds-using-unexpected-c-c-bond-cleavage-pcc-002381nas a2200265   4500008004100000022001400041245014900055210006900204260009900273300001000372490000700382520140800389653000601797653000801803653003301811653002301844653001201867653001501879653001401894653002501908100001901933700001801952700001401970856013101984       2013                        eng d  a0964-830500aApproach towards biocatalytic valorisation of barley beta-glucan for bioethanol production using 1,3-1,4 beta-glucanase and thermotolerant yeast0 aApproach towards biocatalytic valorisation of barley betaglucan   aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLANDbELSEVIER SCI LTDcAUG  a81-860 v823 a<p>The exploitation of renewable resource containing polymers other than cellulose and hemicellulose are critically important for the feasibility of biofuel production. The potential of 1,3-1,4 glucan 4-gluconohydrolyase mediated saccharification of barley beta-glucan (BG) was investigated for ethanol production using thermotolerant Saccharomyces sp. A maximum hydrolysis of 71% was obtained in 24 h using in-house produced 1,3-1,4 beta-glucanase from an alkalothermophilic Thermomonospora sp. whereas the hydrolysis was 100% with Accellerase (TM) 1000. The synergistic effect of beta-glucosidase and 1,3-1,4 beta-glucanase was demonstrated by the exogenous addition of beta-glucosidase to Thermomonospora 1,3-1,4 beta-glucanase which resulted in complete hydrolysis of BG. The hydrolysates of BG obtained using Accellerase or a cocktail of Thermomonospora 1,3-1,4 beta-glucanase and beta-glucosidase when fermented with free cells of Saccharomyces at 40 degrees C produced an ethanol yield of 0.44 g g(-1) and 0.46 g g(-1) respectively and when fermented with immobilized cells produced a yield of 0.49 g g(-1). The Ca-alginate immobilized yeast cells were reused nine times at 40 degrees C with 100% fermentation efficiency. The economics of barley-to-fuel ethanol program will ameliorate if in addition to barley starch, beta-glucan is also utilized. (c) 2013 Elsevier Ltd. All rights reserved.</p>10a110a3-110a4 Glucan 4-gluconohydrolyase10aBarley beta-glucan10aEthanol10aHydrolysis10aSynergism10aThermotolerant yeast1 aDivate, Rupesh1 aMenon, Vishnu1 aRao, Mala  uhttps://library.ncl.res.in/content/approach-towards-biocatalytic-valorisation-barley-beta-glucan-bioethanol-production-using-001968nas a2200289   4500008004100000022001400041245008100055210006900136260006700205300001200272490000700284520110000291653000601391653000601397653002501403653000901428653000801437653000901445653000901454653000801463653001701471653001401488100002301502700001701525700002401542856011201566       2013                        eng d  a0749-158100aGIAO/DFT studies on 1,2,4-triazole-5-thiones and their propargyl derivatives0 aGIAODFT studies on 124triazole5thiones and their propargyl deriv  a111 RIVER ST, HOBOKEN 07030-5774, NJ USAbWILEY-BLACKWELLcDEC  a767-7740 v513 a<p>Density functional theory (DFT)/Becke-Lee-Yang-Parr (B3LYP) and gauge-including atomic orbital (GIAO) calculations were performed on a number of 1,2,4-triazole derivatives, and the optimized structural parameters were employed to ascertain the nature of their predominant tautomers. C-13 and N-15 NMR chemical shifts of 3-substituted 1,2,4-triazole-5-thiones and their propargylated derivatives were calculated via GIAO/DFT approach at the B3LYP level of theory with geometry optimization using a 6-311++G** basis set. A good agreement between theoretical and experimental C-13 and N-15 NMR chemical shifts could be found for the systems investigated. The data generated were useful in predicting N-15 chemical shifts of all the nitrogen atoms of the triazole ring, some of which could not be obtained in solution state N-15 HMBC/HSQC NMR measurements. The energy profile computed for the dipropargylated derivatives was found to follow the product distribution profile of regioisomers formed during propargylation of 1,2,4-triazole thiones. Copyright (c) 2013 John Wiley &amp; Sons, Ltd.</p>10a110a210a4-triazole-5-thiones10aC-1310aDFT10aGIAO10aN-1510aNMR10aRegioisomers10atautomers1 aPhalgune, Usha, D.1 aVanka, Kumar1 aRajamohanan, P., R.  uhttps://library.ncl.res.in/content/giaodft-studies-124-triazole-5-thiones-and-their-propargyl-derivatives-001142nas a2200241   4500008004100000022001400041245007600055210006900131260010300200300001400303490000700317520025900324653000600583653002200589653003300611653002300644653002200667100002800689700002800717700002500745700002400770856010600794       2014                        eng d  a0376-469900aEfficient synthesis of 1,5-benzodiazepines catalyzed by bismuth nitrate0 aEfficient synthesis of 15benzodiazepines catalyzed by bismuth ni  aANUSANDHAN BHAWAN, 2 RAFI MARG, NEW DELHI, 110001, INDIAbCOUNCIL SCIENTIFIC & INDUSTRIAL REScDEC  a1561-15670 v533 a<p>An efficient method has been developed for the synthesis of biologically active 1,5-benzodiazepines in one-pot by reacting o-phenylenediamine and ketones catalyzed by bismuth nitrate pentahydrate at room temperature or under microwave irradiation.</p>10a110a5-benzodiazepines10abismuth nitrate pentahydrate10ao-Phenylenediamine10asynthetic methods1 aBhattacharya, Asish, K.1 aDange, Santoshkumar, S.1 aPolanki, Innaiah, K.1 aChand, Hemender, R.  uhttps://library.ncl.res.in/content/efficient-synthesis-15-benzodiazepines-catalyzed-bismuth-nitrate-002145nas a2200289   4500008004100000022001400041245018200055210006900237260007500306300001200381490000600393520109500399653000601494653000601500653001601506653000601522653002101528653001801549653002001567653002401587653002401611100002401635700002701659700002101686700002201707856012601729       2015                        eng d  a2193-580700aAlumina-supported copper iodide: an efficient and recyclable catalyst for microwave-assisted synthesis of 1,4-disubstituted 1,2,3-triazoles via three-component reaction in water0 aAluminasupported copper iodide an efficient and recyclable catal  aPOSTFACH 101161, 69451 WEINHEIM, GERMANYbWILEY-V C H VERLAG GMBHcSEP  a943-9510 v43 a<p>A one-pot procedure for the synthesis of 1,4-disubstituted 1,2,3-triazoles by a three-component reaction of allyl or benzyl halides, sodium azide, and terminal alkynes over a neutral alumina-supported copper iodide catalyst has been developed. The products were isolated by simple filtration followed by washing of the catalyst with acetone. The products were obtained in almost pure form in up to 98% yield (TON 495). The catalyst can be recycled for more than eight subsequent reactions. The halides are directly converted into triazoles via in situ formation of azides and thus handling of hazardous azides can be avoided. The broad scope of this protocol is shown by the synthesis of a variety of diversely substituted 1,2,3-triazoles and also two-component azide-alkyne click reaction. The key features of this procedure are the use of water as a solvent, recyclability of the catalyst up to eight runs without appreciable loss of activity, and high yields of products. The catalyst has been fully characterized by FTIR, solid-state NMR and EDX spectroscopy, ESEM, TGA, and XRD.</p>10a110a210a3-triazoles10a410acopper(I) iodide10aCycloaddition10adisubstituted 110aMicrowave chemistry10asupported catalysts1 aAgalave, Sandip, G.1 aPharande, Shrikant, G.1 aGade, Swapna, M.1 aPore, Vandana, S.  uhttps://library.ncl.res.in/content/alumina-supported-copper-iodide-efficient-and-recyclable-catalyst-microwave-assisted-002628nas a2200277   4500008004100000245013400041210006900175260012700244520156300371653000601934653000601940653001801946653002401964653002101988653002102009653002502030100003002055700002702085700001802112700003002130700002802160700001502188700001402203700001202217856012102229       2015                        eng d00aMolecular sieves and ultrasound-assisted synthesis of novel 1,3,4-oxadiazole-2-thiones derivatives as potential antifungal agents0 aMolecular sieves and ultrasoundassisted synthesis of novel 134ox  aST. ALBAN-ANLAGE 66, BASEL, CH-4052, SWITZERLANDbMDPI; Univ Sanitiago Compostila; SES; Flow Chemistry; REGAL S; Molecules3 a<p>In the category of microorganism, fungi are considered as the special class of microbes responsible for opportunistic pathogenic infections in humans species. Due to the side effects of commercially available antifungal drugs and the emergence of new drug resistant fungal species in the past few years, has forced the researchers to search for novel and efficient antifungal drug molecules. The 1,3,4-oxadiazoles scaffold is associated with diverse biological activities. The multipurpose use of the Mannich bases in pharmaceutical chemistry promote us to prepare a new series of 5-(4-(benzyloxy)substituted phenyl)-3-((phenyl amino)methyl)-1,3,4oxadiazole-2(3H)-thione as antifungal agents. Herein, we report molecular sieves and ultrasound assisted synthesis of novel series of Mannich bases of the 5-substituted 1,3,4-oxadiazole-2-thiones by amino methylation with paraformaldehyde and substituted primary / secondary amines and their evaluation for antifungal activity. The structures of the newly synthesized compounds were determined by IR, NMR and Mass spectral study. The synthesized compounds exhibited interesting moderate to excellent antifungal activity against Candida albicans (NCIM 3557), Candida albicans(NCIM3471), Candida glabrata(NCIM3237), Cryptococcus neoformans (NCIM 3542), Cryptococcus neoformans(NCIM 3378), Aspergillus fumigates(NCIM 902), Aspergillus niger(NCIM 628) using Flucanazole as a standard reference drug. The synthesised compounds 6d, 6f,6g, 6h and 6j exhibited promising antifungal activity as antifungal agents.</p>10a110a310a4-oxadiazoles10aAntifungal activity10aMannich reaction10aMolecular sieves10aUltrasound -assisted1 aNikalje, Anna, Pratima G.1 aNimbalkar, Ms, Urja D.1 aTupe, Santosh1 aVazquez, Julio, A. Seijas1 aTato, Maria, Pilar Vazq1 aSeijas, JA1 aTato, MPV1 aLin, SK  uhttps://library.ncl.res.in/content/molecular-sieves-and-ultrasound-assisted-synthesis-novel-134-oxadiazole-2-thiones02896nas a2200313   4500008004100000022001400041245011800055210006900173260010300242300001200345490000700357520176400364653000602128653000602134653002702140653003302167653001502200653001602215653003002231100002602261700002202287700002502309700002102334700002602355700002702381700002402408700002602432856012402458       2015                        eng d  a0376-469900aSynthesis and antifungal potential of 1,2,3-triazole and 1,2,4-triazole thiol substituted strobilurin derivatives0 aSynthesis and antifungal potential of 123triazole and 124triazol  aANUSANDHAN BHAWAN, 2 RAFI MARG, NEW DELHI, 110001, INDIAbCOUNCIL SCIENTIFIC & INDUSTRIAL REScJUL  a908-9170 v543 a<p>beta-Methoxyacrylate group is an important pharmacophore of commercially used strobilurin fungicides. In the present study, a total of seventeen 1,2,4-triazole thiols 8a-h and 1,2,3-triazole substituted 10a-i strobilurin derivatives have been synthesized. 1,2,4-Triazole thiol substituted strobilurin derivatives 8a-h have been found to inhibit the growth of plant pathogens such as Fusarium oxysporum, Magnaporthe grisea, Drechslera oryzae and human pathogens Aspergillus fumigatus and different strains of Cryptococcus neoformans, with MIC in the range of 16-256 mu g/mL. In case of Candida albicans tested strain, the MIC is &gt; 256 mu g/mL. p-Chlorophenyl substituted 1,2,4-triazole thiol strobiulrin derivative 8e is the most potent inhibitor with MIC of 16-64 mu g/mL against most of the tested pathogens. Antifungal action of the compounds is due to inhibition of mitochondrial respiration. In the resazurin reduction assay, EC50 for inhibition of RZ reduction in D. oryzae by azoxystrobin and 8e are 3.42 +/- 0.03 mu g/mL and 3.63 +/- 0.21 mu g/mL, respectively; while in case of C. neoformans, EC50,, of azoxystrobin and 8e are between 0.65-0.85 mu g/mL. In a non-pathogenic model Benjaminiella poitrasii, though the MIC for all the synthesized compounds 8a-h and 10a-i are &gt; 256 mu g/ml, yeast to hypha transition is inhibited in the range of 21-75% at 4 mu g/mL concentration while EC50 for inhibition of RZ reduction by azoxystrobin and 8e are 31.5 +/- 0.4 mu g/mL and 17.95 +/- 0.7 mu g/mL, respectively. The 50% germ tube formation inhibition in case of C. albicans is observed at 108.49 mu g/mL. 1,2,4-Triazole thiol substituted strobilurin derivatives hold promise for the control of pathogenic fungi in agriculture and health care.</p>10a110a210a3-triazole strobilurin10a4-triazole thiol strobilurin10aantifungal10aStrobilurin10aY-H transition inhibition1 aChaudhary, Preeti, M.1 aTupe, Santosh, G.1 aJorwekar, Shweta, U.1 aSant, Duhita, G.1 aDeshpande, Sunita, R.1 aMaybhate, Shailaja, P.1 aLikhite, Anjali, P.1 aDeshpande, Mukund, V.  uhttps://library.ncl.res.in/content/synthesis-and-antifungal-potential-123-triazole-and-124-triazole-thiol-substituted-001798nas a2200349   4500008004100000022001400041245013200055210006900187260009200256300001400348490000800362520061500370653000600985653000600991653001700997653002201014653001801036653001601054653000901070653002901079100002401108700001801132700001601150700002001166700002001186700001701206700002101223700002501244700002201269700002601291856013101317       2015                        eng d  a1042-650700aSynthesis, antioxidant, anti-inflammatory, and antimicrobial screening of newer thiophene-fused arylpyrazolyl 1,3,4-oxadiazoles0 aSynthesis antioxidant antiinflammatory and antimicrobial screeni  a4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLANDbTAYLOR & FRANCIS LTDcNOV  a1803-18130 v1903 a<p>A series of newer 1,3,4-oxadiazole derivatives 3a-h, 5a-h containing a thiophene fused with pyrazole moiety of pharmacological significance have been synthesized. The compounds were characterized by H-1 NMR, IR, and mass spectral techniques. The compounds were screened for their in vitro antioxidant, anti-inflammatory and antimicrobial activities. Among them, Compounds 3b (EC50-14.98) and 3f (EC50-12.21) showed significant antioxidant activity. Compound 3a (EC50-15.23) showed good anti-inflammatory activity. Compound 3d was found as the most active derivative against bacterial and fungal strains.</p>10a110a310a4-Oxadiazole10aAnti-inflammatory10aAntimicrobial10aAntioxidant10aEC5010aThiophene-fused pyrazole1 aMahajan, Pravin, S.1 aNikam, Mukesh1 aChate, Asha1 aNimbalkar, Urja1 aPatil, Vrushali1 aBobade, Anil1 aChaudhari, Abhay1 aDeolankar, Dattatray1 aJavale, Balasaheb1 aGill, Charansingh, H.  uhttps://library.ncl.res.in/content/synthesis-antioxidant-anti-inflammatory-and-antimicrobial-screening-newer-thiophene-fused-002321nas a2200313   4500008004100000022001400041245010700055210006900162260010600231300001400337490000700351520123800358653000601596653000601602653001701608653002801625653001701653653002201670653001301692653001301705100002501718700002701743700002401770700002301794700002301817700001901840700002101859856012701880       2016                        eng d  a0960-894X00aSynthesis and antitubercular activity of new 1,3,4-oxadiazoles bearing pyridyl and thiazolyl scaffolds0 aSynthesis and antitubercular activity of new 134oxadiazoles bear  aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcAUG  a3646-36510 v263 a<p>In search of more potent and safe new antitubercular agents, here new 2-pyridinyl substituted thiazolyl-5-aryl-1,3,4-oxadiazoles (6a-o), have been designed and synthesized using thionicotinamide as a starting, following novel multistep synthetic route. An intermediate, pyridinyl substituted thiazolyl acid hydrazide (4) when condensed with benzoic acids/nicotinic acids (5a-o) in the presence of silica supported POCl3 yielded better to excellent yields of the title compounds. All the synthesized compounds (6a-o) and intermediate acid hydrazide (4) have been screened for their in vitro antitubercular activity against Mycobacterium tuberculosis H37Ra (MTB) and Mycobacterium bovis BCG. Amongst them, 6f, 6j, 6l and 6o have revealed promising activity against M. bovis BCG at concentrations less than 3 mu g/mL. These compounds have shown low cytotoxicity (CC50: &gt; 100 mu g/mL) towards four human cancer cell lines. Molecular docking study has also been performed against mycobacterial enoyl reductase (InhA) enzyme to gain an insight into the binding modes of these molecules and recorded good binding affinity. The ADME properties the title products have also been analyzed. (C) 2016 Elsevier Ltd. All rights reserved.</p>10a110a310a4-Oxadiazole10aAntitubercular activity10aCytotoxicity10aMolecular docking10aPyridine10aThiazole1 aDhumal, Sambhaji, T.1 aDeshmukh, Amarsinh, R.1 aBhosle, Manisha, R.1 aKhedkar, Vijay, M.1 aNawale, Laxman, U.1 aSarkar, Dhiman1 aMane, Ramrao, A.  uhttps://library.ncl.res.in/content/synthesis-and-antitubercular-activity-new-134-oxadiazoles-bearing-pyridyl-and-thiazolyl02397nas a2200301   4500008004100000022001400041245012900055210006900184260010600253300001200359490000700371520132200378653000601700653000601706653001501712653002001727653001601747653001901763653001801782100002401800700003001824700002401854700002301878700002601901700001901927700002601946856012301972       2016                        eng d  a0960-894X00aSynthesis and bioactivity of novel triazole incorporated benzothiazinone derivatives as antitubercular and antioxidant agent0 aSynthesis and bioactivity of novel triazole incorporated benzoth  aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcJAN  a561-5690 v263 a<p>In search of new active molecules against Mycobacterium tuberculosis (MTB) H37Ra and M. bovis BCG, a small focused library of benzothiazinone based 1,2,3-triazoles has been efficiently prepared via click chemistry approach. Several derivatives were found to be promising inhibitors of MTB and M. bovis BCG characterized by lower MIC values (27.34-29.37 mu g/mL). Among all the synthesized compounds, 6c and 6e is the most active compound against MTB and M. bovis BCG. The compounds were further tested for anti-proliferative activity against HeLa, A549 and A431 cell lines using MTT assay and showed no significant cytotoxic activity at the maximum concentration evaluated. Further, the synthesized compounds were found to have potential antioxidant activity with IC50 range = 14.14-47.11 mu g/mL. Furthermore, to rationalize the observed biological activity data, the molecular docking study also been carried out against a potential target MTB DprE1, which revealed a significant correlation between the binding score and biological activity for these compounds. The results of the in vitro and in silico study suggest that the triazole incorporated benzothiazinone may possess the ideal structural requirements for further development of novel therapeutic agents. (C) 2015 Elsevier Ltd. All rights reserved.</p>10a110a210a3-Triazole10aADME prediction10aAntioxidant10aAntitubercular10aDocking study1 aShaikh, Mubarak, H.1 aSubhedar, Dnyaneshwar, D.1 aArkile, Manisha, A.1 aKhedkar, Vijay, M.1 aJadhav, Nandadeep, J.1 aSarkar, Dhiman1 aShingate, Bapurao, B.  uhttps://library.ncl.res.in/content/synthesis-and-bioactivity-novel-triazole-incorporated-benzothiazinone-derivatives-002733nas a2200361   4500008004100000022001400041245015600055210006900211260008300280300001200363490000700375520148300382653000601865653000601871653001501877653002001892653001801912653001601930653001901946653002001965653001801985100002402003700003002027700002602057700002602083700003102109700002302140700001902163700001902182700002402201700002302225856012302248       2016                        eng d  a1054-252300aSynthesis, biological evaluation and molecular docking of novel coumarin incorporated triazoles as antitubercular, antioxidant and antimicrobial agents0 aSynthesis biological evaluation and molecular docking of novel c  a233 SPRING STREET, 6TH FLOOR, NEW YORK, NY 10013 USAbSPRINGER BIRKHAUSERcAPR  a790-8040 v253 a<p>A series of new coumarin-based 1,2,3-triazole derivatives were designed, synthesized and evaluated for their antitubercular activity in vitro against Mycobacterium tuberculosis H37Ra, antioxidant activity by DPPH radical scavenging assay, antimicrobial activity in vitro against three gram-positive bacteria (Staphylococcus aureus, Micrococcus luteus and Bacillus cereus) and three gram-negative bacteria (Escherichia coli, Pseudomonas fluorescens and Flavobacterium devorans as well as three fungi (Aspergillus niger, Penicillium chrysogenum and Curvularia lunata). The bioactive assay showed that some synthesized coumarin triazoles displayed comparable or even better antitubercular, antioxidant, antibacterial and antifungal efficacy in comparison with reference drugs. Furthermore, docking study has been performed against DprE1 enzyme of M. tuberculosis that showed good binding interactions. Moreover, the synthesized compounds were also analyzed for ADME properties and showed potential to build up as good oral drug candidates. New coumarin-based 1,2,3-triazole derivatives were designed, synthesized and evaluated for their antitubercular, antioxidant, antibacterial and antifungal activity. Some of the coumarin-based triazole derivatives displayed comparable or even better efficacy in comparison with reference drugs. Molecular docking study has been performed against DprE1 enzyme of Mycobacterium tuberculosis showed good binding interactions. [GRAPHICS] .</p>10a110a210a3-Triazole10aADME prediction10aAntimicrobial10aAntioxidant10aAntitubercular10aClick chemistry10aDocking study1 aShaikh, Mubarak, H.1 aSubhedar, Dnyaneshwar, D.1 aShingate, Bapurao, B.1 aKhan, Firoz, A. Kalam1 aSangshetti, Jaiprakash, N.1 aKhedkar, Vijay, M.1 aNawale, Laxman1 aSarkar, Dhiman1 aNavale, Govinda, R.1 aShinde, Sandip, S.  uhttps://library.ncl.res.in/content/synthesis-biological-evaluation-and-molecular-docking-novel-coumarin-incorporated-102543nas a2200325   4500008004100000022001400041245016900055210006900224260010700293300001400400490000700414520138800421653000601809653000601815653001701821653002801838653001701866653001101883653002201894653001301916100001801929700001901947700001801966700001901984700001902003700002302022700002102045700001902066856013202085       2016                        eng d  a0960-894X00aSynthesis, biological evaluation and molecular docking study of some novel indole and pyridine based 1,3,4-oxadiazole derivatives as potential antitubercular agents0 aSynthesis biological evaluation and molecular docking study of s  aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcAPR   a1776-17830 v263 a<p>A series of indole and pyridine based 1,3,4-oxadiazole derivatives 5a-t were synthesized and evaluated for their in vitro antitubercular activity against Mycobacterium tuberculosis H37Ra (MTB) and Mycobacterium bovis BCG both in active and dormant state. Compounds 5b, 5e, 5g and 5q exhibited very good antitubercular activity. All the newly synthesized compounds 5a-t were further evaluated for antiproliferative activity against HeLa, A549 and PANC-1 cell lines using modified MTT assay and found to be noncytotoxic. On the basis of cytotoxicity and MIC values against Mycobacterium bovis BCG, selectivity index (SI) of most active compounds 5b, 5e, 5g and 5q was calculated (SI = GI(50)/MIC) in active and dormant state. Compounds 5b, 5e and 5g demonstrated SI values &gt;= 10 against all three cell lines and were found to safe for advance screening. Compounds 5a-t were further screened for their antibacterial activity against four bacteria strains to assess their selectivity towards MTB. In addition, the molecular docking studies revealed the binding modes of these compounds in active site of enoyl reductase (InhA), which in turn helped to establish a structural basis of inhibition of mycobacteria. The potency, low cytotoxicity and selectivity of these compounds make them valid lead compounds for further optimization. (C) 2016 Elsevier Ltd. All rights reserved.</p>10a110a310a4-Oxadiazole10aAntitubercular activity10aCytotoxicity10aIndole10aMolecular docking10aPyridine1 aDesai, N., C.1 aSomani, Hardik1 aTrivedi, Amit1 aBhatt, Kandarp1 aNawale, Laxman1 aKhedkar, Vijay, M.1 aJha, Prakash, C.1 aSarkar, Dhiman  uhttps://library.ncl.res.in/content/synthesis-biological-evaluation-and-molecular-docking-study-some-novel-indole-and-pyridine-002411nas a2200289   4500008004100000022001400041245014300055210006900198260008300267300001200350490000700362520141000369653000601779653000601785653001701791653002701808653001701835653001301852653001301865653000901878100001801887700002101905700002001926700002301946700002101969856013101990       2016                        eng d  a1054-252300aSynthesis, biological valuation, and QSAR studies of novel pyrazole bearing pyridyl oxadiazole analogues as potential antimicrobial agents0 aSynthesis biological valuation and QSAR studies of novel pyrazol  a233 SPRING STREET, 6TH FLOOR, NEW YORK, NY 10013 USAbSPRINGER BIRKHAUSERcAPR  a712-7270 v253 a<p>A new series of 1-(2-(3-(4-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)-5-(pyridin-4-yl)-1,3,4 -oxadiazol-3(2H)-yl)-3-(aryl)prop-2-en-1-ones (5a-l) were synthesized by a simple and efficient synthetic protocol. The newly synthesized compounds were characterized by IR, H-1 NMR, C-13 NMR and Mass spectroscopy. The resulting structural diversity was screened for its antimicrobial activity the following bacterial and fungal strains: two Gram-positive bacteria [Staphylococcus aureus (MTCC-96), Streptococcus pyogenes (MTCC-442)], two Gram-negative bacteria [Escherichia coli (MTCC-443), Pseudomonas aeruginosa (MTCC-1688)] and three fungal species (C. albicans, A. niger and A. clavatus). Following this, in vitro cytotoxicity activity against HeLa cell lines was measured by MTT [3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazoliumbromide] assay. The observations derived from the diverse assays were utilized for building classification models based on a binary QSAR approach termed recursive partitioning (RP) analysis to probe the physic-chemical properties influencing the SAR for molecules. The decision tree derived from RP analysis could highlight structural characteristics that discriminate the actives from inactives which can serve as guide to design molecules with improved potency. In silico ADME predictions were performed to gauge their pharmacokinetic, safety and drug likeness profile.</p>10a110a310a4-Oxadiazole10aAntimicrobial activity10aCytotoxicity10aPyrazole10aPyridine10aQSAR1 aDesai, N., C.1 aKotadiya, G., M.1 aTrivedi, A., R.1 aKhedkar, Vijay, M.1 aJha, Prakash, C.  uhttps://library.ncl.res.in/content/synthesis-biological-valuation-and-qsar-studies-novel-pyrazole-bearing-pyridyl-oxadiazole-102359nas a2200301   4500008004100000022001400041245019600055210006900251260006500320300000800385490000700393520123800400653000601638653000601644653001801650653002401668653002101692653002201713653002101735653001501756100002401771700002201795700003001817700002601847700003101873700003001904856012301934       2016                        eng d  a1420-304900aUltrasound- and molecular sieves-assisted synthesis, molecular docking and antifungal evaluation of 5-(4-(benzyloxy)-substituted phenyl)-3-((phenylamino)methyl)-1,3,4-oxadiazole-2(3H)-thiones0 aUltrasound and molecular sievesassisted synthesis molecular dock  aST ALBAN-ANLAGE 66, CH-4052 BASEL, SWITZERLANDbMDPI AGcMAY  a4840 v213 a<p>A novel series of 5-(4-(benzyloxy) substituted phenyl)-3-((phenyl amino) methyl)-1,3,4-oxadiazole-2(3H)-thione Mannich bases 6a-o were synthesized in good yield from the key compound 5-(4-(benzyloxy) phenyl)-1,3,4-oxadiazole-2(3H)-thione by aminomethylation with paraformaldehyde and substituted amines using molecular sieves and sonication as green chemistry tools. The antifungal activity of the new products was evaluated against seven human pathogenic fungal strains, namely, Candida albicans ATCC 24433, Candida albicans ATCC 10231, Candida glabrata NCYC 388, Cryptococcus neoformans ATCC 34664, Cryptococcus neoformans PRL 518, Aspergillus fumigatus NCIM 902 and Aspergillus niger ATCC 10578. The synthesized compounds 6d, 6f, 6g, 6h and 6j exhibited promising antifungal activity against the tested fungal pathogens. In molecular docking studies, derivatives 6c, 6f and 6i showed good binding at the active site of C. albicans cytochrome P450 enzyme lanosterol 14 alpha-demethylase. The in vitro antifungal activity results and docking studies indicated that the synthesized compounds have potential antifungal activity and can be further optimized as privileged scaffolds to design and develop potent antifungal drugs.</p>10a110a310a4-oxadiazoles10aAntifungal activity10aMannich reaction10aMolecular docking10aMolecular sieves10aUltrasound1 aNimbalkar, Urja, D.1 aTupe, Santosh, G.1 aVazquez, Julio, A. Seijas1 aKhan, Firoz, A. Kalam1 aSangshetti, Jaiprakash, N.1 aNikalje, Anna, Pratima G.  uhttps://library.ncl.res.in/content/ultrasound-and-molecular-sieves-assisted-synthesis-molecular-docking-and-antifungal01322nas a2200265   4500008004100000022001400041245021200055210006900267260000800336300001000344490000700354520034700361653000600708653002800714653002800742653001000770653001000780653002700790100002400817700002700841700002000868700002100888700001700909856013000926       2017                        eng d  a0268-260500aSilver sequestration of halides for the activation of Pd(OAc) 2 catalyzed Mizoroki-Heck reaction of 1,1 and 1,2 - Disubstituted alkenes: Ag Sequestration for Pd catalyzed Heck reaction- disubstituted alkenes0 aSilver sequestration of halides for the activation of PdOAc 2 ca  cNOV  ae41590 v323 aA ligand free catalytic system consisting of Pd(OAc)2 (cat) and stoichiometric quantities of silver salts, AgOAc or AgBF4, exhibit high efficiency in the Mizoroki-Heck arylation, transforming aryl iodides and 1,1 as well as 1,2 disubstituted alkenes into 1,1,2 – trisubstituted aryl alkenes in excellent yields in very short reaction times.10a110a1-disubstituted alkenes10a2-disubstituted alkenes10aAgBF410aAgOAc10aMizoroki-Heck reaction1 aBangar, Pronnoy, G.1 aJawalkar, Priyanka, R.1 aDumbre, Swapnil1 aPatil, Dharmaraj1 aIyer, Suresh  uhttps://library.ncl.res.in/content/silver-sequestration-halides-activation-pdoac-2-catalyzed-mizoroki-heck-reaction-11-and-1202150nas a2200313   4500008004100000022001400041245010200055210006900157260000800226300001300234490000800247520118500255653000601440653000601446653001701452653000601469653002401475653001701499653002701516653001701543653002201560100002001582700002201602700001901624700001901643700002701662700001801689856012901707       2018                        eng d  a0365-623300aDesign, synthesis, and pharmacological evaluation of fluorinated azoles as anti-tubercular agents0 aDesign synthesis and pharmacological evaluation of fluorinated a  cFEB  ae17002940 v3513 a<p>Design, synthesis, and biological screening of 2,2-dimethyl-2,3-dihydrobenzofuran tethered 1,3,4-oxadiazole derivatives as anti-tubercular agents were described. The synthesis of the target compounds was conducted by a series of reaction schemes. All the synthesized compounds were characterized by IR, H-1 NMR, C-13 NMR, and mass spectrometry. The therapeutic potential of the synthesized compounds was confirmed by molecular docking studies. Among the synthesized compounds, 12a, 12c, 12d, 12e, 12g, and 12j were found to be more active against non-replicating than against replicating cultures of Mycobacterium tuberculosis H37Ra ex vivo and in vitro. These compounds exhibit minimum inhibitory concentration (MIC) values in the range of 2.31-23.91g/mL. The cytotoxicity study was conducted against the cell lines THP-1, A549 and PANC-1, and the compounds were observed to be non-toxic to host cells. Molecular docking was conducted with InhA (FabI/ENR) and suggested the antimycobacterial potential of the synthesized compounds. The investigation presented here was found to be adventitious for the development of new therapeutic agents against Mycobacterium infection.</p>10a110a210a2-dimethyl-210a310a3-dihydrobenzofuran10a4-Oxadiazole10aanti-tubercular agents10aCytotoxicity10aMolecular docking1 aGholap, Somnath1 aTambe, Macchindra1 aNawale, Laxman1 aSarkar, Dhiman1 aSangshetti, Jaiprakash1 aDamale, Manoj  uhttps://library.ncl.res.in/content/design-synthesis-and-pharmacological-evaluation-fluorinated-azoles-anti-tubercular-agents02769nas a2200241   4500008004100000022001400041245018600055210006900241260000900310300001200319490000800331520183400339653000602173653004602179653002902225653004502254653001802299653002902317100001902346700001602365700001702381856012902398       2018                        eng d  a1010-603000aExcited state intramolecular proton transfer in 1,8-Dihydroxy-9,10-anthraquinone dye: Revealing microstructures in [C(n)mIm][NTf2] and [C(n)mIm][BF4] series of ionic liquid solvents0 aExcited state intramolecular proton transfer in 18Dihydroxy910an  cJAN   a111-1210 v3503 a<p>Excited state intramolecular proton transfer (ESIPT) in 18-dihydroxy-9,10-anthraquinone (18DHAQ) dye has been investigated in two series of 1-alkyl-3-methylimidazolium ([C(n)mIm](+)) based ionic liquid (IL) solvents, [C(n)mlm][NTf2] and [C(n)mlm][BF4], with n = 2, 4, 6, 8 and 10, using steady-state (SS) and time resolved (TR) fluorescence studies. In both the IL series, fluorescence intensity for tautomer (T*) form gradually decreases relative to normal (N*) form with increasing n value for [C(n)mlm](+) cations. Observed results suggest microstructure formation and its consequent effect on the ESIPT process of the dye in these IL solvents. Since more extensive microstructures are likely with larger n values of [C(n)mIm](+) cations, the dye is expectedly solubilized more in the polar microdomains of the solvent microstructures, resulting better stabilization for the more dipolar N* state and hence a higher emission intensity from this state. This proposition is clearly supported by ultrafast (sub-picosecond) fluorescence kinetics for both N* and T* states, though sub-nanosecond TR results indicate very similar fluoresce decays for both N* and T*, suggesting an eventual kinetic equilibrium between two states subsequent to the initial ultrafast and fast forward and backward ESIPT processes. Small differences between the results in the [C(n)mIm][NTf2] and [C(n)mIm][BE4] series of ILs are attributed to dissimilar size, shape and basicity of [NTf2]- and [BF4]- anions, responsible for some characteristic changes in the microstructures formed in the respective solvent series. To the best of our knowledge, present study is the only report demonstrating modulations in the ESIPT process through microstructure formations in neat [C(n)mIm](+) based IL solvents. (C) 2017 Elsevier B.V. All rights reserved.</p>10a110a1-Alkyl-3-methylimidazolium ionic liquids10a8-Dihydroxyanthraquinone10aEmission modulations of tautomeric forms10aESIPT process10aMicrostructure formation1 aBeniwal, Vijay1 aKumar, Anil1 aPal, Haridas  uhttps://library.ncl.res.in/content/excited-state-intramolecular-proton-transfer-18-dihydroxy-910-anthraquinone-dye-revealing01784nas a2200265   4500008004100000022001400041245008000055210006900135260000800204300001000212490000800222520100100230653000601231653000601237653001701243653001801260653001801278653001601296653001801312100001801330700001701348700001901365700002501384856010901409       2018                        eng d  a0960-852400aMixed bacterial culture mediated direct conversion of bio-glycerol to diols0 aMixed bacterial culture mediated direct conversion of bioglycero  cFEB  a86-930 v2503 a<p>Direct and economic transformation of biodiesel derived crude glycerol is gaining more significance. During screening of bacterial cultures Klebsiella pneumoniae and Enterobacter aerogenes were able to convert crude bio-glycerol to 2,3-butanediol (2,3-BDO) and 1,3-propanediol (1,3-PDO), as major compounds, ethanol and acetoin as minor compounds, with a conversion of 69% and 79% respectively. Process optimization could achieve maximum conversion at pH 7.0, 37 degrees C, 30-40 g/L glycerol and 1.5 g of inoculum until 120 h. Mixed cultures led to complete glycerol conversion with optimal yield and productivity. An innovative approach of using crude glycerol for sustained growth and tolerance of bacteria as source of carbon and energy makes this study more significant. In addition to this, a mixed culture concept introduced here is expected to make impact in process economics for industrial scale synthesis for direct transformation of glycerol into C3 and specifically, C4 diols.</p>10a110a210a3-Butanediol10a3-Propanediol10aBioconversion10aBioglycerol10aMixed culture1 aParate, Roopa1 aMane, Rasika1 aDharne, Mahesh1 aRode, Chandrashekhar  uhttps://library.ncl.res.in/content/mixed-bacterial-culture-mediated-direct-conversion-bio-glycerol-diols01951nas a2200265   4500008004100000022001400041245011500055210006900170260000800239300001400247490000700261520109200268653000601360653000601366653001501372653002701387653002801414653001301442100001801455700002201473700002301495700001901518700001901537856012901556       2018                        eng d  a0922-616800aSynthesis and biological evaluation of new 2-aryl-4-((4-aryl-1H-1,2,3-triazol-1-yl)methyl)thiazole derivatives0 aSynthesis and biological evaluation of new 2aryl44aryl1H123triaz  cFEB  a1247-12600 v443 a<p>A series of 2-aryl-4-((4-aryl-1H-1,2,3-triazol-1-yl)methyl)thiazole derivatives (8a-p) have been synthesized. The structure of the newly synthesized compounds was determined by spectral analysis. The title compounds were screened for their preliminary antitubercular activity against Mycobacterium tuberculosis H37Ra (MTB, ATCC 25177) and Mycobacterium bovis BCG (BCG, ATCC 35743). Further, the synthesized compounds were screened for antimicrobial activity against standard Gram-negative bacteria Escherichia coli (NCIM 2576) and Pseudomonas flurescence (NCIM 2059) and Gram-positive bacteria Staphylococcus aureus (NCIM 2602) and Bacillus subtilis (NCIM 2162). Among all the synthesized compounds, 8a-c, f-h, m exhibited good activity against dormant M. bovis BCG strain. Compounds 8h, j exhibited good activity against all tested bacterial strains. All active compounds were screened for cytotoxicity and found inactive. Their high potency and promising antimycobacterial activity suggest that these compounds could serve as good leads for further optimization and development.</p>10a110a210a3-Triazole10aantibacterial activity10aAntitubercular activity10aThiazole1 aShinde, Vikas1 aMahulikar, Pramod1 aMhaske, Pravin, C.1 aNawale, Laxman1 aSarkar, Dhiman  uhttps://library.ncl.res.in/content/synthesis-and-biological-evaluation-new-2-aryl-4-4-aryl-1h-123-triazol-1-ylmethylthiazole02002nas a2200289   4500008004100000022001200041245013300053210006900186260000800255300000900263490000700272520104300279653000601322653000601328653001601334653002601350653002801376653001701404653002201421100002301443700002401466700001901490700003101509700002301540700002601563856012301589       2018                        eng d  a922616800aSynthesis and biological evaluation of novel triazole-biscoumarin conjugates as potential antitubercular and anti-oxidant agents0 aSynthesis and biological evaluation of novel triazolebiscoumarin  cMAY  a1-280 v443 a<p>The synthesis of a new series of triazole-biscoumarin conjugates by using a molecular hybridization approach is described. The newly synthesized compounds 6a–k were evaluated for their in vitro antitubercular activity against active and dormant Mtb H37Ra and anti-oxidant activity against DPPH radical scavenging. Molecular docking simulations for the antitubercular activity showed that the conjugates 6a–k bind in the pocket of the DprE1 enzyme. Most of the conjugates displayed good antitubercular activity against both the active and dormant Mtb H37Ra strain. The compound 6h displayed very good antitubercular activity against dormant Mtb H37Ra with an IC50 value of 1.44 μg/mL. Most of the synthesized conjugates exhibit excellent anti-oxidant activity with an IC50 of less than the standard BHT. Compound 6b is the most active among all the conjugates with an IC50 value of 08.17 ± 0.11 μg/mL. The molecular docking study shows good agreement between the observed antitubercular activity and the binding affinity.</p>10a110a210a3-triazoles10aAnti-oxidant activity10aAntitubercular activity10aBiscoumarins10aMolecular docking1 aDanne, Ashruba, B.1 aChoudhari, Amit, S.1 aSarkar, Dhiman1 aSangshetti, Jaiprakash, N.1 aKhedkar, Vijay, M.1 aShingate, Bapurao, B.  uhttps://library.ncl.res.in/content/synthesis-and-biological-evaluation-novel-triazole-biscoumarin-conjugates-potential01318nas a2200253   4500008004100000022001400041245006100055210005700116260000900173300001400182490000700196520059700203653000600800653001700806653002400823653001700847653001300864653002400877100001400901700001500915700002700930700002200957856008500979       2019                        eng d  a1861-472800a[8+3]-cycloaddition of tropones with azaoxyallyl cations0 a83cycloaddition of tropones with azaoxyallyl cations  cDEC   a4748-47530 v143 a<p>Although azaoxyallyl cations are widely used as 1,3-dipoles for various cycloaddition reactions leading to nitrogen-containing heterocycles, their application in higher-order cycloaddition reaction remains scarce. Herein, we present the [8+3]-cycloaddition reaction of tropones with in situ generated azaoxyallyl cations allowing the one-step construction of cycloheptatriene-fused 1,4-oxazinones in moderate to good yields. This base-promoted new carbon-oxygen and carbon-nitrogen bond-forming reaction takes place under mild conditions in the absence of transition metal catalysts.</p>
10a110a4-oxazinones10aazaoxyallyl cations10aheterocycles10atropones10a[8+3] cycloaddition1 aRoy, Tony1 aJacob, Anu1 aBhattacharjee, Subrata1 aBiju, Akkattu, T.  uhttps://library.ncl.res.in/content/83-cycloaddition-tropones-azaoxyallyl-cations01712nas a2200289   4500008004100000022001400041245018100055210006900236260000900305300001400314490000600328520076400334653000601098653000601104653001601110653002201126653002001148653001301168653002001181653002701201100000501228700002701233700000501260700000501265700002801270856012401298       2019                        eng d  a2365-654900aBentonite - Clay - supported cuprous iodide nanoparticles (BENT- CuI NPs): a new heterogeneous catalyst in diversity - oriented synthesis of 1, 2, 3-triazoles in aqueous medium0 aBentonite Clay supported cuprous iodide nanoparticles BENT CuI N  cJUN   a7144-71500 v43 a<p>Bentonite clay supported cuprous iodide nanoparticles (BENT-CuI NPs) were prepared and demonstrated for the first time as an efficient heterogeneous catalyst in diversity oriented, green synthesis of 1,2,3-triazoles by one-pot, three component reaction between alkyl halides, arylboronic acids, or epoxides with alkynes and sodium azide in aqueous medium. The catalyst was characterized by Inductively Coupled Plasma Atomic Emission Spectroscopy (ICP-AES), Energy Dispersive X-ray Spectroscopy(EDS), Scanning Electron Microscopy (SEM), X-Ray Powder Diffraction (XRD), Transmission Electron Microscopy (TEM) as well as Brunauer-Emmett-Teller (BET) techniques and was found to be reusable for five consecutive runs without significant loss of activity.</p>
10a110a210a3-triazoles10aarylboronic acids10aclick synthesis10aepoxides10agreen chemistry10aheterogeneous catalyst1 a1 aCharate, Shrinivas, P.1 a1 a1 aWadgaonkar, Prakash, P.  uhttps://library.ncl.res.in/content/bentonite-clay-supported-cuprous-iodide-nanoparticles-bent-cui-nps-new-heterogeneous02531nas a2200325   4500008004100000022001400041245014900055210006900204260000800273300001200281490000700293520147400300653000601774653000601780653003801786653001501824653002001839653002001859653001701879653002801896653002901924100000501953700000501958700002801963700002301991700002102014700002002035700001902055856013102074       2019                        eng d  a0045-206800aClick chemistry based multicomponent approach in the synthesis of spirochromenocarbazole tethered 1,2,3-triazoles as potential anticancer agents0 aClick chemistry based multicomponent approach in the synthesis o  cAPR  a475-4860 v853 a<p>A series of spirochromenocarbazole tethered 1,2,3-triazoles were synthesized via click chemistry based one-pot, five component reaction between N-propargyl isatins, malononitrile, 4-hydroxycarbazole, aralkyl halides and sodium azide using cellulose supported CuI nanoparticles (Cell-CuI NPs) as the heterogeneous catalyst. Antiproliferative activity of all the synthesized compounds was investigated against panel of cancer cell lines such as MCF-7, MDA-MB-231, HeLa, PANG-1, A-549, and THP-1. Many of the synthesized compounds exhibited good anti-proliferative activity against breast (MCF-7 and MDA-MB-231) and cervical (HeLa) cancer cells with IC50 values less than 10 mu M. In case of MCF-7 cells, among the nine compounds that showed good anti-proliferative activity, compounds 6f and 6j were found to be highly potent (IC50 , = 2.13 mu M and 4.80 mu M, respectively). In case of MDA-MB-231, three compounds (6k, 6j and 6s) showed antiproliferative activity amongst which 6k was the most potent one (IC50 = 3.78 mu M). On the other hand, in cervical cancer HeLa cells, compounds 6b, 6g, 6s and 6u showed excellent antiproliferative activity (IC50 = 4.05, 3.54, 3.83, 3.35 mu M, respectively). All the compounds were found to be nontoxic to the human umbilical vein endothelial cells (HUVECs). AO and EtBr staining and fluorescence microscopy studies of the active compounds (IC50 &lt; 5 mu M) suggested that these compounds induce cell death by apoptosis.</p>
10a110a210a3-Triazolylspirochromenocarbazole10aAnticancer10aApoptotic assay10aClick chemistry10aCytotoxicity10aheterogeneous catalysis10aMulticomponent synthesis1 a1 a1 aWadgaonkar, Prakash, P.1 aTapase, Savita, R.1 aKodam, Kisan, M.1 aChoudhari, Amit1 aSarkar, Dhiman  uhttps://library.ncl.res.in/content/click-chemistry-based-multicomponent-approach-synthesis-spirochromenocarbazole-tethered-12301926nas a2200313   4500008004100000022001400041245010800055210006900163260000800232300001200240490000700252520093700259653000601196653000601202653001701208653002001225653001701245653001801262653002201280100002601302700002401328700002501352700002201377700002301399700001901422700002001441700001901461856013201480       2019                        eng d  a0045-206800aDesign, synthesis and biological evaluation of (E)-5-styryl-1,2,4-oxadiazoles as anti-tubercular agents0 aDesign synthesis and biological evaluation of E5styryl124oxadiaz  cMAY  a507-5120 v863 a<p>Cinnamic acid and its derivatives are known for anti-tubercular activity. The present study reports the synthesis of cinnamic acid derivatives via bioisosteric replacement of terminal carboxylic acid with ``oxadiazole''. A series of cinnamic acid derivatives (styryl oxadiazoles) were designed and synthesized in good yields by reaction of substituted cinnamic acids (2, 15a-15s) with amidoximes. The synthesized styryl oxadiazoles were evaluated in vitro for anti-tubercular activity against Mycobacterium tuberculosis (Mtb) H37Ra strain. The structure-activity relationship (SAR) study has identified several compounds with mixed anti-tubercular profiles. The compound 32 displayed potent anti-tubercular activity (IC50= 0.045 mu g/mL). Molecular docking studies on mycobacterial enoyl-ACP reductase enzyme corroborated well with the experimental findings providing a platform for structure based hit-to-lead development.</p>
10a110a210a4-Oxadiazole10aAnti-tubercular10aBioisosteres10aCinnamic acid10aMolecular docking1 aUpare, Abhay, Atmaram1 aGadekar, Pradip, K.1 aSivaramakrishnan, H.1 aNaik, Nishigandha1 aKhedkar, Vijay, M.1 aSarkar, Dhiman1 aChoudhari, Amit1 aRoopan, Mohana  uhttps://library.ncl.res.in/content/design-synthesis-and-biological-evaluation-e-5-styryl-124-oxadiazoles-anti-tubercular-agents02080nas a2200313   4500008004100000022001400041245012500055210006900180260000800249300001200257490000700269520107300276653000601349653000601355653001501361653002801376653002201404653002701426653001301453100001801466700002201484700002301506700002401529700002001553700002201573700002401595700001901619856012801638       2019                        eng d  a1054-252300aSynthesis and antimycobacterial evaluation of new 5-(1-benzyl-1H-1,2,3-triazol-4-yl)-4-methyl-2-arylthiazole derivatives0 aSynthesis and antimycobacterial evaluation of new 51benzyl1H123t  cJUN  a805-8190 v283 a<p>A new series of 5-(1-benzyl-1H-1,2,3-triazol-4-yl)-4-methyl-2-arylthiazole derivatives, 6a-w have been synthesized by click reaction of substituted benzylazide, 5a-d with 5-ethynyl-4-methyl-2-substituted phenylthiazole, 4a-f. The starting compounds 4-ethynyl-2-substituted phenylthiazole (4a-f) were synthesized from the corresponding thiazole aldehyde by using the Ohira-Bestmann reagent. The structure of the synthesized compounds was determined by spectral analysis. All the synthesized compounds were screened for their preliminary antitubercular activity against Mycobacterium tuberculosis H37Ra (MTB, ATCC 25177). Most of the synthesized compounds reported good activity against M. tuberculosis H37Ra strain with IC50 range of 0.58-8.23 mu g/mL. Compounds 6g and 6k reported good antitubercular activity with MIC90 values of 4.71 and 2.22 mu g/mL, respectively. Potential antimycobacterial activity suggested that these compounds could serve as good lead compounds for further optimization and development of a newer antitubercular candidate. [GRAPHICS] .</p>10a110a210a3-Triazole10aAntitubercular activity10aMolecular docking10aOhira-Bestmann reagent10aThiazole1 aShinde, Vikas1 aMahulikar, Pramod1 aMhaske, Pravin, C.1 aChakraborty, Shakti1 aChoudhari, Amit1 aPhalle, Siddharth1 aChoudhari, Prafulla1 aSarkar, Dhiman  uhttps://library.ncl.res.in/content/synthesis-and-antimycobacterial-evaluation-new-5-1-benzyl-1h-123-triazol-4-yl-4-methyl-202140nas a2200313   4500008004100000022001400041245017000055210006900225260000800294300001400302490000700316520107600323653000601399653000601405653001701411653002701428653002801455653001701483653002301500653001501523100002401538700002601562700002601588700002001614700002301634700001901657700002201676856012801698       2019                        eng d  a1054-252300aSynthesis of new 1,3,4-oxadiazole and benzothiazolylthioether derivatives of 4-arylmethylidene-3-substituted-isoxazol-5(4H)-one as potential antimycobacterial agents0 aSynthesis of new 134oxadiazole and benzothiazolylthioether deriv  cNOV  a1873-18840 v283 a<p>A new series of 4-[(substituted benzylidene)-3-[(5-(pyridine-4-yl)-1,3,4-oxadiazole-2-ylthio)-methyl]i soxazol-5(4H)-one (6a-g) and 4-(substituted benzylidene)-3-((benzo[d]thiazol-2-ylthio)methyl)isoxazol-5(4H)-one (8a-g) was synthesized. All the synthesized compounds were screened for antitubercular activity against Mycobacterium tuberculosis H37Ra (ATCC 25177) and Mycobacterium bovis BCG (ATCC 35743) and antibacterial activity against Escherichia coli (NCIM 2576), Pseudomonas flurescence (NCIM 2059), Staphylococcus aureus (NCIM 2602), Bacillus subtilis (NCIM 2162). Amongst the synthesized 1,3,4-oxadiazole and benzothiazoyl thioether derivatives, compounds 6b and 8b showed excellent antimycobacterial activity and compounds 6b, 8a, 8b, and 8d showed excellent antibacterial activity against all tested antibacterial strains. The synthesized compounds were further evaluated for their cytotoxic activity against the HCT 116 and HeLa cancer cell lines. The 1,3,4-oxadiazole and benzothiazoyl thioether derivatives 6a-g and 8a-g did not show cytotoxicity.</p>
10a110a310a4-Oxadiazole10aantibacterial activity10aAntitubercular activity10aBenzothiazol10aIsoxazol-5(4H)-one10aThioeteher1 aChavan, Abhijit, P.1 aDeshpande, Rujuta, R.1 aBorade, Nandkumar, A.1 aShinde, Abhijit1 aMhaske, Pravin, C.1 aSarkar, Dhiman1 aBobade, Vivek, D.  uhttps://library.ncl.res.in/content/synthesis-new-134-oxadiazole-and-benzothiazolylthioether-derivatives-4-arylmethylidene-301280nas a2200253   4500008004100000022001400041245017700055210006900232260000900301300001400310520036300324653002700687653000600714653002600720653001800746653001400764653001600778100002200794700002300816700001900839700002000858700001900878856012900897       2019                        eng d  a1434-193X00aTf2NH catalyzed 1,6-conjugate addition of 2-hydroxy-p-quinone methides with -functionalized ketones: access to 2,3,4,9-Tetrahydro-1H-xanthenones and 4H-Chromene Derivatives0 aTf2NH catalyzed 16conjugate addition of 2hydroxypquinone methide  cJUN   a3127-31333 a<p>A Bronsted acid catalyzed tandem 1,6-conjugate sequential cycloaddition reaction using 2-hydroxy-p-quinone methides and -functionalized ketones is reported. The method allows xanthenones and chromenes to be accessed in moderate to excellent yield with broad substrate scope, which could be further functionalized to give a versatile set of products.</p>
10a-Functionalized ketone10a110a6-Conjugated addition10aBronsted acid10aChromenes10aXanthenones1 aSatbhaiya, Shruti1 aKhonde, Nilesh, S.1 aRathod, Jayant1 aGonnade, Rajesh1 aKumar, Pradeep  uhttps://library.ncl.res.in/content/tf2nh-catalyzed-16-conjugate-addition-2-hydroxy-p-quinone-methides-functionalized-ketones01275nas a2200229   4500008004100000022001400041245013600055210006900191260000900260300001100269490000700280520048300287653000600770653001600776653003100792653002100823653001900844653002000863100002800883700000500911856012900916       2020                        eng d  a0040-403900aAttempted synthesis of central furopyran core of diocollettines A via a gold-catalyzed cascade 1,6-diyne cycloisomerization process0 aAttempted synthesis of central furopyran core of diocollettines   cOCT   a1523670 v613 a<p>Herein, we describe an Au-catalyzed cascade diyne cycloisomerization process that was projected to construct the central furopyran bicyclic core of Diocollettines A. Our intended strategy for the annulation of the third thf ring is based on epoxidation and subsequent intramolecular acetalization. However, the initial alkynol cyclization occurred in an undesired 5-exo-dig mode, ultimately leading to an undesired furopyran. (C) 2020 Elsevier Ltd. All rights reserved.</p>
10a110a6-Hexadiyne10aAlkynol cycloisomerization10aDiocollettines A10aGold-catalysis10aTotal synthesis1 aMullapudi, Venkannababu1 a  uhttps://library.ncl.res.in/content/attempted-synthesis-central-furopyran-core-diocollettines-gold-catalyzed-cascade-16-diyne01946nas a2200289   4500008004100000022001400041245016700055210006900222260000800291300001100299490000700310520095500317653000601272653000601278653001701284653002201301653001701323653002401340653002801364100002301392700002501415700002701440700002101467700002301488700002201511856012301533       2020                        eng d  a0960-894X00aSynthesis of novel of 2, 5-disubstituted 1, 3, 4-oxadiazole derivatives and their in vitro anti-inflammatory, anti-oxidant evaluation, and molecular docking study0 aSynthesis of novel of 2 5disubstituted 1 3 4oxadiazole derivativ  cJUN  a1271360 v303 a<p>A series of novel 2, 5-disubstituted 1, 3, 4-Oxadiazole derivatives as a potential anti-inflammatory, and antioxidant agent were synthesized via cyclisation. Hydrazide molecule treated with substituted acids in the presence of phosphorus oxychloride (POCl3) as an efficient reagent as well as solvent by conventional method with shorter reaction time and excellent yield. The newly synthesized 1, 3, 4-oxadiazole derivatives exhibited excellent to good anti-inflammatory and anti-oxidant activities compaired to the standard drugs. Molecular docking study on the crucial anti-inflammatory target-cyclooxygenase-2 (COX-2) revealed the ability of the scaffold to correctly recognize the active site and achieve significant bonded and non-bonded interactions with key residues therein. This study could identify potential compounds which can be pertinent starting points for structure-based drug design to obtain newer anti-inflammatory agents.</p>
10a110a310a4-Oxadiazole10aAnti-inflammatory10aAnti-Oxidant10aBiological activity10acomputational chemistry1 aKashid, Bharat, B.1 aSalunkhe, Pravin, H.1 aDongare, Balasaheb, B.1 aMore, Kishor, R.1 aKhedkar, Vijay, M.1 aGhanwat, Anil, A.  uhttps://library.ncl.res.in/content/synthesis-novel-2-5-disubstituted-1-3-4-oxadiazole-derivatives-and-their-vitro-anti01296nas a2200253   4500008004100000022001400041245012900055210006900184260000900253300001400262490000600276520044900282653000600731653002500737653001800762653002400780653002400804653001100828100001700839700002400856700002400880700001500904856012300919       2021                        eng d  a2365-654900aAcid mediated sulfonylation of para-quinone methides with tosylmethyl isocyanides for the synthesis of diarylmethyl sulfones0 aAcid mediated sulfonylation of paraquinone methides with tosylme  cJUL   a7158-71610 v63 aAn efficient, hydrochloric acid promoted reaction for the synthesis of diarylmethyl sulfones has been developed via unprecedented 1, 6-conjugate addition reaction of tosylmethyl isocyanide (TosMIC) with para-quinone methides.This catalyst free reaction provides various diarylmethyl sulfones in good to excellent yields in an operationally simple method under metal free conditions. Further transformations of the productsare also demonstrated.10a110a6-Conjugate addition10aaromatization10aDiarylmethylsulfone10apara-Quinonemethide10aTosMIC1 aKumar, Pawan1 aKale, Someshwar, B.1 aGonnade, Rajesh, G.1 aDas, Utpal  uhttps://library.ncl.res.in/content/acid-mediated-sulfonylation-para-quinone-methides-tosylmethyl-isocyanides-synthesis02081nas a2200205   4500008004100000022001400041245009200055210006900147260000800216520137100224653000601595653001801601653004401619653002501663653001301688653001901701100002101720700002101741856011301762       2021                        eng d  a0161-494000aAdvances in solid catalysts for selective hydrogenolysis of glycerol to 1,3-propanediol0 aAdvances in solid catalysts for selective hydrogenolysis of glyc  cJAN3 a<p>Glycerol is one of the top 12 platform chemicals obtained from biomass. Its surplus availability as a by-product of biodiesel, fat-splitting and soap manufacturing industries and affordable price lends significant opportunity for its valorization, using solid catalysts, into propanediols (PDOs), particularly to 1,3-propanediol (1,3-PDO), by selective hydrogenolysis. 1,3-PDO is an important chemical with wide applications including that as a precursor in polymers manufacturing. However, the synthesis of 1,3-PDO by selective cleavage of the secondary C-O bond of glycerol in the presence of hydrogen (instead of the primary C-O bond yielding 1,2-PDO) is highly challenging. Of late, supported Pt and Ir catalysts in combination with a reducible oxide (WO(x)or ReOx) were found selective for 1,3-PDO formation. Support, metals composition and additives (co-added metals) affect the performance of these catalysts. Detailed investigations revealed that metal dispersion, electronic connectivity between metal and metal oxide/support, hydrogen activation/spillover and Bronsted acidity are some parameters that influence the activity and selectivity of these bi-functional, metal-metal oxide catalysts. This review summarizes the latest advances in these solid catalysts for selective hydrogenolysis of glycerol to 1,3-PDO, a monomer for advanced polymers.</p>
10a110a3-Propanediol10abifunctional metal-metal oxide catalyst10abiomass valorization10aGlycerol10aHydrogenolysis1 aBhowmik, Susmita1 aDarbha, Srinivas  uhttps://library.ncl.res.in/content/advances-solid-catalysts-selective-hydrogenolysis-glycerol-13-propanediol01450nas a2200265   4500008004100000022001400041245016500055210006900220260000800289300001100297490000800308520050200316653000600818653002500824653001800849653002500867653002000892653002500912100002300937700002300960700002500983700002501008700001901033856013201052       2021                        eng d  a0040-402000aMetal-free, Tf2NH-catalyzed 1, 6-conjugate addition of imidazopyridine to para-quinone methides: easy access to C3-functionalized triarylmethane imidazopyridine0 aMetalfree Tf2NHcatalyzed 1 6conjugate addition of imidazopyridin  cNOV  a1325100 v1013 aAn inexpensive and commercially available Tf2NH-catalyzed 1,6-conjugate addition of imidazopyridine (IMPY) heterocycles to para-quinone methides (p-QMs) is reported. The present transformation provides a diverse class of C3-functionalized triarylmethanes heterocyclic derivatives of imidazopyridine. These metal-free transformations provided a very broad substrate scope of conjugate addition product with a high yield up to 97% within a short duration. (C) 2021 Elsevier Ltd. All rights reserved.10a110a6-Conjugate addition10aBronsted acid10aC3-functionalization10aImidazopyridine10apara-Quinone methide1 aKhonde, Nilesh, S.1 aSaid, Madhukar, S.1 aSabane, Jagjivan, K.1 aGajbhiye, Jayant, M.1 aKumar, Pradeep  uhttps://library.ncl.res.in/content/metal-free-tf2nh-catalyzed-1-6-conjugate-addition-imidazopyridine-para-quinone-methides-easy01466nas a2200313   4500008004100000022001400041245015000055210006900205260000900274300001400283490000800297520040900305653000600714653000600720653001600726653000600742653002300748653003700771653001800808653003100826653002400857653002800881653002100909653002200930100002600952700002300978700002601001856012501027       2021                        eng d  a1615-415000aPhotoinduced multicomponent regioselective synthesis of 1,4,5-trisubstituted-1,2,3-triazoles: transition metal-, azide- and oxidant-free protocol0 aPhotoinduced multicomponent regioselective synthesis of 145trisu  cJUL   a3560-35650 v3633 aA transition metal- and azide-free approach is explored to synthesize 1,4,5-trisubstituted-1,2,3-triazoles under sunlight. The reaction proceeds via C-N and N-N bond formations. These regioselective 1,2,3-triazoles are obtained from isatin Schiff bases, benzaldehydes and tosylhydrazine in the presence of base. This protocol offers the structurally diverse 1,2,3-triazole derivatives with 75-90% yields.10a110a210a3-triazoles10a410a5-trisubstituted-110aazide- and oxidant free protocol10aCycloaddition10amilder reaction conditions10amolecular diversity10aMulticomponent reaction10aRegioselectivity10atransition metal-1 aAllaka, Bhargava, Sai1 aBasavoju, Srinivas1 aKrishna, Gamidi, Rama  uhttps://library.ncl.res.in/content/photoinduced-multicomponent-regioselective-synthesis-145-trisubstituted-123-triazoles01853nas a2200277   4500008004100000022001400041245012800055210006900183260000800252300001400260490000800274520094000282653000601222653001301228653001601241653001101257653000901268653001901277653003001296100002901326700002101355700001901376700002201395700002601417856013201443       2021                        eng d  a1011-372X00aUtilizing the oxygen carrier property of cerium iron oxide for the low-temperature synthesis of 1,3-butadiene from 1-butene0 aUtilizing the oxygen carrier property of cerium iron oxide for t  cOCT  a3057-30660 v1513 a<p>Low-temperature oxidative dehydrogenation (ODH) of 1-butene to 1,3-butadiene is one of the challenging reactions in the polymer industry. Towards this a highly dispersed cerium iron oxide was synthesized by citrate gel combustion method and employed for the synthesis of 1,3-butadiene (BD) from 1-butene. The reaction was carried out at low temperature under an oxygen-free atmosphere in a continuous flow mode fixed bed reactor. A decrease in the lattice parameters observed from PXRD and high-resolution TEM analysis proved that iron occupies cerium sites in the crystal lattice. XPS, TPR, and oxygen uptake studies quantified the nature and abundance of different oxygen species. ODH was observed through consuming lattice oxygens. The vacancies generated could be filled by re-oxidation with an external supply of oxygen which will restore the catalytic activity demonstrating the Mars van Krevelen mechanism. [GRAPHICS] .</p>
10a110a1-butene10a3-butadiene10aCerium10airon10aLattice oxygen10aoxidative dehydrogenation1 aVenugopalan, Aswathy, T.1 aKandasamy, Prabu1 aGogoi, Pranjal1 aRatneshkumar, Jha1 aThirumalaiswamy, Raja  uhttps://library.ncl.res.in/content/utilizing-oxygen-carrier-property-cerium-iron-oxide-low-temperature-synthesis-13-butadiene-102277nas a2200337   4500008004100000022001400041245011600055210006900171260000800240300001400248490000700262520120700269653000601476653000601482653002101488653001101509653003001520653002801550653003101578100001801609700001701627700002501644700002401669700001701693700002301710700002401733700002201757700002201779700001901801856011901820       2022                        eng d  a1381-199100aDetection of a target protein (GroEl2) in Mycobacterium tuberculosis using a derivative of 1,2,4-triazolethiols0 aDetection of a target protein GroEl2 in Mycobacterium tuberculos  cOCT  a2535-25480 v263 a<p>
	Herein, we identified a potent lead compound RRA2, within a series of 54 derivatives of 1,2,4-triazolethiols (exhibit good potency as an anti-mycobacterial agents) against intracellular Mycobacterium tuberculosis (Mtb). Compound RRA2 showed significant mycobactericidal activity against active stage Mycobacterium bovis BCG and Mtb with minimum inhibitory concentration (MIC) values of 2.3 and 2.0 mu g/mL, respectively. At MIC value, RRA2 compound yielded 0.82 log reduction of colony-forming unit (cfu) against non-replicating Mtb. Furthermore, RRA2 compound was selected for further target identification due to the presence of alkyne group, showing higher selectivity index (&gt; 66.66 +/- 0.22, in non-replicating stage). Using ``click'' chemistry, we synthesized the biotin linker-RRA2 conjugate, purified with HPLC method and confirmed the conjugation of biotin linker-RRA2 complex by HR-MS analysis. Furthermore, we successfully pulled down and identified a specific target protein GroEl2, from Mtb whole-cell extract. Furthermore, computational molecular modeling indicated RRA2 could interact with GroEl2, which explains the structure-activity relationship observed in this study.</p>
10a110a210a4-triazolethiols10aGroEl210aMycobactericidal activity10aMycobacterium bovis BCG10aMycobacterium tuberculosis1 aSarkar, Sampa1 aSwami, Sagar1 aSoni, Sarvesh, Kumar1 aHolien, Jessica, K.1 aKhan, Arshad1 aKorwar, Arvind, M.1 aLikhite, Anjali, P.1 aJoshi, Ramesh, A.1 aJoshi, Rohini, R.1 aSarkar, Dhiman  uhttps://library.ncl.res.in/content/detection-target-protein-groel2-mycobacterium-tuberculosis-using-derivative-12402341nas a2200301   4500008004100000022001400041245013600055210006900191260000800260300001400268490000700282520135600289653000601645653000601651653001501657653002001672653001801692653001601710653001801726100002401744700003001768700002401798700002401822700002301846700001901869700002601888856012501914       2022                        eng d  a1040-663800aTetrazoloquinoline-1,2,3-triazole derivatives as antimicrobial agents: synthesis, biological evaluation and molecular docking study0 aTetrazoloquinoline123triazole derivatives as antimicrobial agent  cSEP  a1920-19410 v423 a<p>
	In search of new active molecules, a small focused library of tetrazoloquinoline-based 1,2,3-triazoles has been efficiently preparedviaclick chemistry approach. Several derivatives were found to be exhibiting promising antimicrobial and antioxidant activity characterized by their lower minimum inhibitory concentration values. All the synthesized compounds exhibited excellent antibacterial activity against Gram negative bacteriaE. coliandF. devoransand antifungal activity againstC. albicansandA. niger. Further, these compounds were tested for their antitubercular activity against dormantMTB H37Raand dormantM. bovis BCGusing XRMA assay protocol and showed no significant activity. Also, the synthesized compounds were found to have potential antioxidant activity with IC(50)range = 12.48-50.20 mu g/mL. Furthermore, to rationalize the observed biological activity data, the molecular docking study also been carried out against the active site of fungalC. albicansenzyme P450 cytochrome lanosterol 14 alpha-demethylase, which revealed a significant correlation between the binding score and biological activity for these compounds. The results of thein vitroandin silicostudy suggest that the triazole-incorporated tetrazoloquinolines may possess the ideal structural requirements for further development of novel therapeutic agents.</p>
10a110a210a3-Triazole10aADME prediction10aAntimicrobial10aAntioxidant10aDocking study1 aShaikh, Mubarak, H.1 aSubhedar, Dnyaneshwar, D.1 aAkolkar, Satish, V.1 aNagargoje, Amol, A.1 aKhedkar, Vijay, M.1 aSarkar, Dhiman1 aShingate, Bapurao, B.  uhttps://library.ncl.res.in/content/tetrazoloquinoline-123-triazole-derivatives-antimicrobial-agents-synthesis-biological02318nas a2200253   4500008004100000022001400041245009700055210006900152260000900221490000700230520148500237653000601722653001301728653002201741653002601763653002301789653001501812100002101827700001801848700001901866700002601885700002801911856012501939       2023                        eng d  a1860-717900aDesign and synthesis of 1,3-diynes as potent antifungal agents against aspergillus fumigatus0 aDesign and synthesis of 13diynes as potent antifungal agents aga  cMAY 0 v183 a<p>
	Eugenol and isoeugenol, secondary metabolites isolated from the plant Myristica fragrans have displayed antifungal activities against Aspergillus fumigatus (IC50 1900 mu M). Compounds having conjugated unsaturation have been of great use as antifungals i. e. amphotericin B, nystatin and terbinafine etc. Hence, in the present study, we have designed and synthesised 1,3-diynes by utilizing Glaser-Hay and Cadiot-Chodkiewicz coupling reactions to furnish possible antifungal agents. Synthesis of 1,6-diphenoxyhexa-2,4-diyne derivatives was achieved by Cu(I) catalysed coupling of propargylated eugenol, isoeugenol, guaiacol, vanillin and dihydrogenated eugenol or eugenol in good to excellent yields. All the synthesized compounds were evaluated against pathogenic fungus A. fumigatus. Among all the synthesized compounds, one of the compounds was found to be exhibiting promising antifungal activity with IC50 value of 7.75 mu M thereby suggesting that this type of scaffold could pave the way for developing new antifungal agents. The most active compound was found to be low cytotoxic when assayed against L-132 cancer cell line. Effect of the most active compound on ergosterol biosynthesis has also been studied. Also, the most active compound exhibited significant anti-biofilm activity although the concentration was found to be higher than its anti-fungal activity. Morphological changes in the biofilm were remarkable under confocal laser scanning microscopy.</p>
10a110a3-Diynes10aAntifungal agents10aAspergillus fumigatus10aCadiot-Chodkiewicz10aGlaser-Hay1 aGoswami, Lakshmi1 aGupta, Lovely1 aPaul, Sayantan1 aVijayaraghavan, Pooja1 aBhattacharya, Asish, K.  uhttps://library.ncl.res.in/content/design-and-synthesis-13-diynes-potent-antifungal-agents-against-aspergillus-fumigatus01178nas a2200253   4500008004100000022001400041245008400055210006900139260000800208300001200216490000800228520038000236653000600616653002400622653001000646653001900656653001800675653001900693100002100712700002700733700002600760700002800786856011000814       2023                        eng d  a1615-415000aFeCl2-catalyzed rearrangement of aryl peroxyoxindole into 1,3-benzooxazin-4-One0 aFeCl2catalyzed rearrangement of aryl peroxyoxindole into 13benzo  cFEB  a515-5210 v3653 a<p>We report an FeCl2-catalyzed radical rearrangement of aryl peroxyoxindoles into 1,3-benzooxazin-2-ones to obtain a variety of aryl substituted 1,3-benzooxazin-4-ones in moderate to good yields. Mechanistically, this skeletal rearrangement of peroxyoxindoles proceeded via radical pathway and was well supported with a series of experimental findings and DFT studies.</p>
10a110a3-Benzooxazin-4-one10aFeCl210aPeroxyoxindole10arearrangement10aRing expansion1 aMohanta, Nirmala1 aSamal, PragnyaParamita1 aKrishnamurty, Sailaja1 aGnanaprakasam, Boopathy  uhttps://library.ncl.res.in/content/fecl2-catalyzed-rearrangement-aryl-peroxyoxindole-13-benzooxazin-4-one01217nas a2200265   4500008004100000022001400041245008100055210006900136260000800205300001100213490000800224520040800232653000600640653000600646653001700652653001300669653001800682653002000700100002300720700002700743700002300770700002500793700002200818856011100840       2023                        eng d  a0040-403900aMetal-free isoamyl nitrite mediated efficient synthesis of 1,2,4-oxadiazoles0 aMetalfree isoamyl nitrite mediated efficient synthesis of 124oxa  cJUL  a1546160 v1253 a<p>
	We report herein, a metal-free isoamyl nitrite mediated efficient synthesis of 1,2,4-oxadiazoles by one pot cycloaddition reaction of aldoximes with nitriles. The structure of the 1,2,4-oxadiazole derivatives was confirmed by studies of spectral analysis. Current methodology provides a novel pathway to access 1,2,4-oxadiazole derivatives.&amp; COPY; 2023 Elsevier Ltd. All rights reserved.</p>
10a110a210a4-Oxadiazole10aAldoxime10aCycloaddition10aIsoamyl nitrite1 aGalave, Sharad, A.1 aKadam, Kishorkumar, S.1 aSonawane, Amol, D.1 aPansare, Vaibhav, R.1 aGarud, Dinesh, R.  uhttps://library.ncl.res.in/content/metal-free-isoamyl-nitrite-mediated-efficient-synthesis-124-oxadiazoles01312nas a2200241   4500008004100000022001400041245008900055210006900144260000900213300001400222490000700236520051800243653000600761653002700767653001800794653002100812100002800833700001700861700002500878700002100903700002400924856012200948       2024                        eng d  a1359-734500aElectrochemically enabled (3+2) cycloaddition of unbiased alkenes and β-dicarbonyls0 aElectrochemically enabled 32 cycloaddition of unbiased alkenes a  cMAY   a5836-58390 v603 a<p>
	A (3+2) cycloaddition between unbiased alkenes and 1,3-dicarbonyls is accomplished by judicious choice of electrode material and electrocatalyst to access dihydrofuran derivatives. A fluorinated porous carbon electrode with appropriate thickness governs unprecedented reactivity. This methodology eliminates the necessity for any stabilizing group within the alkene substrate. This is a rare example of the annulation of unbiased internal and terminal alkenes with cyclic and acyclic beta-dicarbonyls.</p>
10a110a3-DICARBONYL COMPOUNDS10aDIHYDROFURANS10aFACILE SYNTHESIS1 aSuryawanshi, Sharad, M.1 aSahoo, Suman1 aShaligram, Parth, S.1 aManna, Narugopal1 aSamanta, Ramesh, C.  uhttps://library.ncl.res.in/content/electrochemically-enabled-32-cycloaddition-unbiased-alkenes-and-%CE%B2-dicarbonyls00909nas a2200241   4500008004100000022001400041245019200055210006900247260000900316490000700325653000600332653001400338653001600352653002000368653001200388653001300400100002700413700002800440700002300468700002600491700002500517856012500542       2024                        eng d  a1864-563100aVisible-light-induced radical sulfonylative-cyclization cascade of 1,6-Enynol derivatives with sulfinic acids: a sustainable approach for the synthesis of 2,3-disubstituted benzoheteroles0 aVisiblelightinduced radical sulfonylativecyclization cascade of   cOCT 0 v1710a110a6-Enynols10aBenzofurans10aBenzothiophenes10aindoles10aSulfones1 aKumari, Arram, Haritha1 aKumar, Jangam, Jagadesh1 aSharadha, Nunavath1 aKrishna, Gamidi, Rama1 aReddy, Raju, Jannapu  uhttps://library.ncl.res.in/content/visible-light-induced-radical-sulfonylative-cyclization-cascade-16-enynol-derivatives02291nas a2200265   4500008004100000022001400041245012000055210006900175260000900244300000800253490000700261520139700268653000601665653002901671653002801700653001801728653001701746653002601763653002601789100002401815700001801839700002301857700002101880856012401901       2025                        eng d  a0959-399300aAdvances in metabolic engineering and fermentation for 3-hydroxypropionic acid biosynthesis: a comprehensive review0 aAdvances in metabolic engineering and fermentation for 3hydroxyp  cSEP   a3520 v413 a<p>
	The grand challenge in biobased Manufacturing Lies in achieving the sustainable, economically competitive conversion of renewable biomass into high-value Chemicals capable of replacing fossil-derived products. Among these, 3-hydroxypropionic acid (3-HP) has emerged as a top-tier target-an exceptionally versatile platform molecule. It finds applications in the synthesis of acrylic acid, 1,3-propanediol, and other derivatives, positioning it as a potential cornerstone for bio-based plastics. This review consolidates the latest breakthroughs in microbial 3-HP production, encompassing advanced strain engineering, pathway rewiring, cofactor optimization, metabolic modeling, and flux balance analysis. We critically examine strategies to overcome inherent metabolic and physiological constraints, including byproduct suppression, redox balancing, and tolerance engineering. Emerging approaches-such as dynamic regulation of metabolic flux, control of cell morphology and density, and integration of co-production pathways-are highlighted for their capacity to boost yields and process robustness. Additionally, we address the fermentation process innovations targeting enhanced productivity, substrate efficiency, minimal nutrient input, and industrially relevant titres. Collectively, these insights Chart a clear path toward the scalable, sustainable biomanufacturer of 3-HP.</p>
10a110a3-hydroxypropionaldehyde10a3-hydroxypropionic acid10a3-Propanediol10aFermentation10aflux balance analysis10aMetabolic engineering1 aJoshi, Harshvardhan1 aIsar, Jasmine1 aRangaswamy, Vidhya1 aRaghunathan, Anu  uhttps://library.ncl.res.in/content/advances-metabolic-engineering-and-fermentation-3-hydroxypropionic-acid-biosynthesis02372nas a2200277   4500008004100000022001400041245013700055210006900192260000800261300001200269490000700281520140800288653000601696653002101702653002801723653002201751653002901773653001701802100003001819700002401849700002401873700001901897700002301916700002601939856012901965       2025                        eng d  a1385-272800a[DBUH][HSO4]-catalyzed solvent-free synthesis of 1,5-benzodiazepine derivatives: bioevaluation and in silico molecular docking study0 aDBUHHSO4catalyzed solventfree synthesis of 15benzodiazepine deri  cJAN  a226-2370 v293 a<p>
	Here, we report the solvent-free one-pot multicomponent synthesis of 4-substituted-1,5-benzodiazepine derivatives from O-phenylenediamine, aromatic aldehydes, and dimedone using [DBUH][HSO4] as a catalyst in excellent yields. This process was carried out in search of a reusable, easily accessible, affordable, and efficient catalyst. 1,5-Benzodiazepines demonstrate a new family of good inhibitors with potent anti-mycobacterial properties. The most promising compounds in the present series are 4c, 4i, and 4l which showed excellent activity and inhibited the growth of both MTB H37Ra and M. bovis BCG strains with lower MICs. The most active compounds were further studied for their cytotoxicity against cell lines MCF-7, A549, HCT116, and THP-1 by MTT assays and the compounds were found to be non-toxic. The fact that none of these compounds work against either Gram-positive or Gram-negative bacteria suggests that they are only effective against MTB. The in silico docking of the molecules against mycobacterial enoyl reductase, InhA enzyme could provide well-clustered solutions and have given valuable insights into the thermodynamic elements governing the binding affinities. The findings of this investigation unmistakably point to the discovery of extremely specific and selective MTB inhibitors, which can now be investigated further in search of possible anti-tubercular drugs.</p>
10a110a5-benzodiazepine10aAntitubercular activity10aMolecular docking10amulticomponent reactions10a[DBUH][HSO4]1 aSubhedar, Dnyaneshwar, D.1 aShaikh, Mubarak, H.1 aNagargoje, Amol, A.1 aSarkar, Dhiman1 aKhedkar, Vijay, M.1 aShingate, Bapurao, B.  uhttps://library.ncl.res.in/content/dbuhhso4-catalyzed-solvent-free-synthesis-15-benzodiazepine-derivatives-bioevaluation-and01547nas a2200241   4500008004100000022001400041245009300055210006900148260000800217300001400225490000700239520076400246653000601010653003201016653001601048653003001064653001801094100002101112700002001133700001601153700001901169856011701188       2025                        eng d  a0366-635200aHarnessing DABCO ionic salts for synthesis of heterocycles via multi-component reactions0 aHarnessing DABCO ionic salts for synthesis of heterocycles via m  cSEP  a5625-56600 v793 a<p>
	The review article discusses the advancements in synthesis and applications of acidic, basic, and neutral 1,4-diazabicyclo[2.2.2]octane (DABCO) ionic salts in multi-component reactions. Compared to imidazolium-based ionic salts, the number of DABCO-based ionic salts is significantly lower. Recently, there has been increasing focus on these salts due to their selective salt formation capabilities. A significant challenge lies in the limited availability of physical data regarding DABCO-based ionic salts; hence, most of them are not ionic liquids. While many of these salts could be reused several times with only a minimal reduction in their catalytic effectiveness, there is a significant limitation in the availability of DABCO-based salts.</p>
10a110a4-Diazabicyclo[2.2.2]octane10aIonic salts10aMulti-component reactions10aRecyclability1 aRajmane, Archana1 aNarande, Poonam1 aPatil, Nita1 aKumbhar, Arjun  uhttps://library.ncl.res.in/content/harnessing-dabco-ionic-salts-synthesis-heterocycles-multi-component-reactions01309nas a2200253   4500008004100000022001400041245010400055210006900159260000800228300001500236490000700251520048200258653000600740653002500746653001500771653002000786653001900806653001700825653001800842100002100860700002100881700002200902856013100924       2025                        eng d  a2365-654900aIron mediated oxidative ring opening-homocoupling of cyclopropanols: facile access to 1,6-diketones0 aIron mediated oxidative ring openinghomocoupling of cyclopropano  cMAY  ae2025017450 v103 a<p>
	We have developed a new approach for the synthesis of 1,6-diketones via iron-catalyzed ring opening of cyclopropanol with a nontoxic, inexpensive iron catalyst under open-air conditions. This method eliminates the need for additives and employs tert-butanol as an eco-friendly solvent. This methodology allows rapid access to a variety of symmetrical 1,6-diketones under mild conditions. Preliminary mechanistic studies revealed the involvement of radical pathways.</p>
10a110a6-Diketone synthesis10aC & horbar10aC bond cleavage10acyclopropanols10aHomocoupling10aIron mediated1 aShinde, Ravi, A.1 aShirsath, Sachin1 aMuthukrishnan, M.  uhttps://library.ncl.res.in/content/iron-mediated-oxidative-ring-opening-homocoupling-cyclopropanols-facile-access-16-diketones02453nas a2200289   4500008004100000022001400041245013400055210006900189260000800258300001500266490000700281520151600288653000601804653002201810653002301832653002401855653002101879653001301900100001901913700001701932700002101949700001701970700002201987700001902009700001702028856011802045       2025                        eng d  a2365-654900aSynthesis, biological screening, and molecular docking of hybrid pyrazole scaffolds for antitubercular and antimicrobial activity0 aSynthesis biological screening and molecular docking of hybrid p  cJAN  ae2024048300 v103 a<p>
	This study reports the synthesis, characterization, and docking analysis of 21 novel compounds, including asymmetric dihydropyridines (4a-4o) and chalcones (6a-6f), derived from coupling 1,3-(substituted)-diphenyl-1H-pyrazole-4-carbaldehyde with active methylene compounds and 3-acetyl-4-hydroxycoumarin, respectively. Structural confirmation was achieved through 1H and 13C NMR, IR, and mass spectrometry. Biological screening against mycobacterium tuberculosis H37Ra identified compounds 4b, 4d, 4f, 4g , 4i, 4k, 6e, and 6f as significant antitubercular agents. Antibacterial evaluation at 30 mu g/mL showed selective inhibition of gram-positive bacteria, with compound 6e active against Staphylococcus aureus and Bacillus subtilis, and 6f showing activity specifically against S. aureus. Docking studies indicated effective InhA binding (Delta G = -3.52 to -7.27 kcal/mol) and inhibition constants ranging from 2640 to 4.71 mu M. Key binding interactions with residues TYR156 and ILE192 were observed, enhancing affinity, particularly for compound 6e. The SAR analysis emphasized the enhanced antitubercular potency of 2-chloroacetyl and 2,4-dichlorobenzoyl substitutions in the dihydropyridine series, while in the chalcone series, specific substitutions, such as the 3-nitro substitution in 6e, enhance antitubercular and antimicrobial potency due to stronger hydrogen bonding and increased polar surface area, while the 4-fluoro substitution in 6f confers selective activity against S. aureus.</p>
10a110a4-dihydropyridine10a4-hydroxy coumarin10aBiological activity10aIn silco studies10aPyrazole1 aBavishi, Abhay1 aVala, Hardev1 aRadadiya, Ashish1 aSwami, Sagar1 aThakrar, Shailesh1 aSarkar, Dhiman1 aShah, Anamik  uhttps://library.ncl.res.in/content/synthesis-biological-screening-and-molecular-docking-hybrid-pyrazole-scaffolds02206nas a2200241   4500008004100000022001400041245011400055210006900169260000800238300001600246490000700262520137500269653000601644653001801650653002301668653002501691653001801716100003201734700002501766700002201791700002001813856013101833       2025                        eng d  a2190-681500aTowards efficient conversion of sucrose to 1,2-propanediol selectively over Cu-La on activated carbon support0 aTowards efficient conversion of sucrose to 12propanediol selecti  cNOV  a29241-292570 v153 a<p>
	In this study, we investigated the conversion of sucrose to 1,2-propanediol (1,2-PDO) using various Cu-La metals supported on activated carbon (AC), a versatile support known for its hydrophobicity and high surface area. Among the catalysts tested, 6% Cu-20% La/AC demonstrated the highest activity, achieving a 72% yield of 1,2-PDO under optimal reaction conditions of 200 degrees C, 40 bar H2, and 6-h reaction time. Comparative studies using cellulose, sucrose, glucose, and fructose as substrates identified sucrose as the most favorable feedstock for 1,2-PDO production. Detailed catalyst characterization (XRD, TEM, FE-SEM, TPR, TPD, XPS) revealed that the high dispersion, presence of metallic copper, and synergy between Cu and La, along with the presence of optimal acidic and basic sites, were responsible for the catalyst's high selectivity of 1,2-PDO. Additionally, the effect of different supports, including HY, NaY, HZSM-5, NaZSM-5, gamma-Al2O3, and AC, on sucrose conversion was examined, with AC showing superior performance. The catalyst's reusability was also assessed.Graphical abstractInvestigation of Cu-La metals supported on activated carbon for the catalytic conversion of sucrose to 1,2-propanediol, with an emphasis on choice of support, feedstock selection, catalyst performance, and stability under optimized reaction conditions.</p>
10a110a2-Propanediol10aBiomass conversion10aBiomass-to-chemicals10aHydrogenation1 aAnilan, Anusree, Elavanapar1 aSreekantan, Sreejith1 aRacha, Arundhathi1 aMarimuthu, Banu  uhttps://library.ncl.res.in/content/towards-efficient-conversion-sucrose-12-propanediol-selectively-over-cu-la-activated-carbon02259nas a2200277   4500008004100000022001400041245018000055210006900235260000800304300001100312490000700323520125300330653000601583653000601589653001801595653004001613653003801653653002001691100002501711700002601736700001901762700002401781700002101805700002301826856013201849       2025                        eng d  a2365-654900aAn ultrasound-assisted green synthesis of 1,3-diphenyl pyrazole-based spirooxindolo-1,2,4-oxadiazoles: their in vitro anti-tubercular activity and in silico molecular dynamics0 aultrasoundassisted green synthesis of 13diphenyl pyrazolebased s  cOCT  ae016930 v103 a<p>
	A simple base-mediated one-pot synthetic green methodology has been successfully employed for the synthesis of 1,3-diphenylpyrazole-based spirooxindolo-1,2,4-oxadiazole derivatives. The newly synthesized analogues were tested for their in vitro anti-tubercular activity (anti-TB) against Mycobacterium tuberculosis H37Rv strain, and the results were reported as minimum inhibitory concentration (MIC) values ranging from 3.125 to 25 mu g/mL. Especially, the five compounds 3a, 3f, 3k, 3q, and 3v exhibited good to moderate anti-TB activity with MIC of 3.125 mu g/mL when compared to the reference drug ethambutol (MIC: 1.56 mu g/mL). In silico Molecular docking and molecular dynamics simulations of the protein-ligand complex (3a, 3f, 3k, and 3v) against Mycobacterium tuberculosis DprE1 (PDB ID: 5OEQ) of M. tuberculosis H37Rv strain revealed that these four compounds could be promising anti-mycobacterial candidates, as evident from the binding results and stability of the docked-ligand complexes with considerable least binding energies. ADME parameters were also studied to assess the drug likeness, which clearly shows that the newly developed compounds might be useful for the future development of novel anti-tubercular drugs.</p>
10a110a210a4-oxadiazoles10aIn silico molecular dynamic studies10aIn vitro anti-tubercular activity10aultrasonication1 aBaddepuri, Sravanthi1 aGamidi, Rama, Krishna1 aKumari, Jyothi1 aSriram, Dharmarajan1 aGangarapu, Kiran1 aBasavoju, Srinivas  uhttps://library.ncl.res.in/content/ultrasound-assisted-green-synthesis-13-diphenyl-pyrazole-based-spirooxindolo-124-oxadiazoles