01407nas a2200181   4500008004100000022001400041245011700055210006900172260007100241300001400312490000800326520067900334100002001013700002301033700002101056700001701077856013101094       2012                        eng d  a1520-610600aExploring the potential of doped zero-dimensional cages for proton transfer in fuel cells: a computational study0 aExploring the potential of doped zerodimensional cages for proto  a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcAUG  a9803-98110 v1163 a<p>Calculations with density functional theory (DFT) and MP2 have been done to investigate the potential of recently synthesized durable zero-dimensional (OD) nitrogen-based cage structures to perform as efficient proton-exchange membranes (PEMs) in fuel cells. Our calculations suggest that the hydrogenated 0-D cages, in combination with hydrogen-bonding 1,2,3- and 1,2,4-triazole molecules, would perform as highly efficient PEMs. The results are important in the context of the need for efficient PEMs for fuel cells, especially at higher temperatures (greater than 120 degrees C) where conventional water-based PEMs such as Nafion have been found to be ineffective.</p>1 aMane, Manoj, V.1 aVenkatnathan, Arun1 aGhatak, Kamalika1 aVanka, Kumar  uhttps://library.ncl.res.in/content/exploring-potential-doped-zero-dimensional-cages-proton-transfer-fuel-cells-computational-002733nas a2200277   4500008004100000022001400041245010200055210006900157260007300226300001200299490000800311520176200319653001302081653002602094653001902120653002302139100002402162700002002186700001502206700001902221700002102240700002402261700001702285700002202302856013102324       2013                        eng d  a1381-116900aCatalytic and DFT study of selective ethylene oligomerization by nickel(II) oxime-based complexes0 aCatalytic and DFT study of selective ethylene oligomerization by  aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcJAN  a238-2460 v3663 a<p>The reactivity of nickel(II) thiophenealdoxime complex (3) toward oligomerization of ethylene in the presence of an alkylaluminum co-catalyst has been studied. The complex was found to be a selective ethylene dimerization catalyst in the presence of co-catalysts such as methylalumoxane (MAO) and diethylaluminum chloride (DEAC). With DEAC, the productivity was considerably higher than with MAO. Under optimum conditions the productivity reaches 388 kg/mol catalyst/h/bar with DEAC whereas for MAO this value was 119 kg/mol catalyst/h/bar. Complex 3 displays good ethylene conversions of up to a maximum of 90% with exceptionally high alpha-selectivity for 1-butene (&gt;99.5%) amongst C-4 products. Computational studies using density functional theory (DFT) were also carried out to ascertain the decomposition pathway for 3 as well as that for Ni(II) complex of the pyridine ketoxime ligand 2. The results suggest that loss of one of the two bidentate oxime ligands attached to the metal center through reaction with DEAC is likely for both 2 and 3. Further, calculations indicate that the subsequent decomposition step was significantly more probable for 3 than for 2 thus explaining why the pyridine ketoxime ligand bound nickel complex 2 was experimentally found to be more stable than the thiophene aldoxime bound nickel complex 3. Calculations also show that the proton of the -OH group (oxime) plays a major role in the stability of the molecules. This was confirmed experimentally by synthesizing the Ni(II) dichloro complex of Pyridine-2-carbaldehyde O-methyloxime 5 and reacting it with ethylene under similar conditions. 5 was found to be highly active even at low co-catalyst concentrations. (c) 2012 Elsevier B.V. All rights reserved.</p>10aButene-110aEthylene dimerization10aNi(II) complex10aThiophene aldoxime1 aTayade, Kamlesh, N.1 aMane, Manoj, V.1 aSen, Suman1 aMurthy, C., N.1 aTembe, Gopal, L.1 aPillai, Muthukumaru1 aVanka, Kumar1 aMukherjee, Soumen  uhttps://library.ncl.res.in/content/catalytic-and-dft-study-selective-ethylene-oligomerization-nickelii-oxime-based-complexes-001629nas a2200277   4500008004100000022001400041245010600055210006900161260007300230300001200303490000800315520066700323653000800990653001300998653002301011653002401034100002501058700002101083700002001104700001901124700001601143700001701159700002001176700002501196856013001221       2014                        eng d  a1381-116900a1,8-Diazabicyclo[5.4.0]undec-7-ene (DBU): a highly efficient catalyst in glycerol carbonate synthesis0 a18Diazabicyclo540undec7ene DBU a highly efficient catalyst in gl  aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcSEP  a144-1490 v3913 a<p>Transesterification of dimethyl carbonate (DMC) with glycerol (GLY) was investigated using various amines as catalysts. Amidines like 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU) and 1,5-diazabicyclo[4.3.0]non-5-ene (DBN) were found to be the best catalysts for this reaction. Best results: 98% conversion of GLY with 96% selectivity to GC (TON: 9408), were obtained with DBU as a catalyst. Effect of various reaction conditions on activity and selectivity were investigated using DBU as catalyst. The mechanism of the reaction was investigated with the help of H-1, C-13 and N-15 NMR analysis and OFT calculations. (C) 2014 Elsevier B.V. All rights reserved.</p>10aDBU10aGlycerol10aGlycerol carbonate10atransesterification1 aMunshi, Mudassir, K.1 aGade, Swapna, M.1 aMane, Manoj, V.1 aMishra, Deepti1 aPal, Sourav1 aVanka, Kumar1 aRane, Vilas, H.1 aKelkar, Ashutosh, A.  uhttps://library.ncl.res.in/content/18-diazabicyclo540undec-7-ene-dbu-highly-efficient-catalyst-glycerol-carbonate-synthesis-001622nas a2200157   4500008004100000022001400041245011000055210006900165260007100234300001200305490000800317520098200325100002001307700001701327856012001344       2014                        eng d  a1932-744700aProposing efficient new pendant group polymer electrolyte membranes for fuel cells: a computational study0 aProposing efficient new pendant group polymer electrolyte membra  a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcJAN  a784-7950 v1183 a<p>There is a need to develop new membranes for fuel cells that can conduct protons with high efficiency and at high temperatures. This paper reports a theoretical study of proton transfer barriers in newly proposed polymer electrolyte membranes (PEMs), having pendant nitrogen containing crown ether groups on an alkyl backbone. The proton transfer in the proposed pendant group PEMs would occur without the need of an external agent such as water or phosphoric acid, and without the need for the pendant groups to rotate and reorient themselves after each proton transfer. The current study shows that this would make the proposed PEMs very efficient, with low proton transfer barriers. This has been seen to be true for a range of different PEM cases considered, differing in the number of linker atoms in the alkyl backbone and in the number of nitrogens contained in each pendant group, thus, indicating the potential of the proposed structures as PEMs for fuel cells.</p>1 aMane, Manoj, V.1 aVanka, Kumar  uhttps://library.ncl.res.in/content/proposing-efficient-new-pendant-group-polymer-electrolyte-membranes-fuel-cells-001428nas a2200169   4500008004100000022001400041245009500055210006900150260007100219300001400290490000700304520075900311100002001070700002201090700001701112856012901129       2015                        eng d  a0022-326300aComputational study of metal free alcohol dehydrogenation employing frustrated lewis pairs0 aComputational study of metal free alcohol dehydrogenation employ  a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcFEB  a2081-20910 v803 a<p>The catalysis of acceptorless alcohol dehydrogenation (AAD) is an important area of research. Transition metal-based systems are known to be effective catalysts for this reaction, but developing metal free catalytic systems would lead to highly desirable cheaper and greener alternatives. With this in mind, this computational study investigates design strategies than can lead to metal free frustrated Lewis pairs (FLPs) that can be employed for AAD catalysis. A careful study of 36 different proposed FLP candidates reveals that several new FLPs can be designed from existing, experimentally synthesized FLPs that can rival or be even better than state-of-the-art transition metal-based systems in catalyzing the alcohol dehydrogenation process.</p>1 aMane, Manoj, V.1 aRizvi, Masood, A.1 aVanka, Kumar  uhttps://library.ncl.res.in/content/computational-study-metal-free-alcohol-dehydrogenation-employing-frustrated-lewis-pairs-000720nas a2200169   4500008004100000245017600041210007000217260000800287300001200295490000700307100002300314700002000337700001700357700002000374700002100394856013500415       2015                        eng d00aGold(I)/chiral brønsted acid catalyzed enantioselective hydroamination-hydroarylation of alkynes: effect of remote hydroxyl group in the reactivity and enantioselectivity0 aGoldIchiral brønsted acid catalyzed enantioselective hydroaminat  cJAN  a975-9790 v211 aShinde, Valmik, S.1 aMane, Manoj, V.1 aVanka, Kumar1 aMallick, Arijit1 aPatil, Nitin, T.  uhttps://library.ncl.res.in/content/goldichiral-br%C3%B8nsted-acid-catalyzed-enantioselective-hydroamination-hydroarylation-alkynes01487nas a2200301   4500008004100000022001400041245009700055210006900152260007500221300001400296520043700310653001700747653001800764653001700782653000900799653001700808653002000825100002200845700001600867700003000883700002000913700002300933700002600956700002200982700002901004700002101033856013101054       2015                        eng d  a1434-193X00aIdentifying solid luminogens through gold-catalysed intramolecular hydroarylation of alkynes0 aIdentifying solid luminogens through goldcatalysed intramolecula  aPOSTFACH 101161, 69451 WEINHEIM, GERMANYbWILEY-V C H VERLAG GMBHcAUG  a4860-48673 a<p>The identification of a new class of luminogens based on pyrrolo-quinoxaline embedded coumarin (PQC) structures is reported. The reaction relies on the gold-catalyzed hydroarylation reaction of appropriately substituted aryl alkynoates that produces molecules that exhibit solvatochromism and aggregation-induced emission enhancement (AIEE) phenomena. The application of PQCs for live cell imaging has also been demonstrated.</p>10aCell imaging10aDyes/pigments10afluorescence10aGold10aLuminescence10aSolvatochromism1 aShaikh, Aslam, C.1 aShalini, S.1 aVaidhyanathan, Ramanathan1 aMane, Manoj, V.1 aBarui, Ayan, Kumar1 aPatra, Chitta, Ranjan1 aVenkatesh, Yeduru1 aBangal, Prakriti, Ranjan1 aPatil, Nitin, T.  uhttps://library.ncl.res.in/content/identifying-solid-luminogens-through-gold-catalysed-intramolecular-hydroarylation-alkynes-004280nas a2200277   4500008004100000022001400041245018000055210006900235260007100304300001400375490000700389520321000396100002303606700003103629700001803660700001903678700002303697700001703720700002003737700001703757700001703774700003503791700002603826700002403852856012603876       2016                        eng d  a1528-748300aAdditive mediated syn-anti conformational tuning at nucleation to capture elusive polymorphs: remarkable role of extended pi-stacking interactions in driving the self-assembly0 aAdditive mediated synanti conformational tuning at nucleation to  a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcAPR  a2416-24280 v163 a<p>Understanding the process of prenucleation clustering at supersaturating stage is of significant importance to envisage the polymorphism in crystalline materials. Preferential formation of a thermodynamically stable crystal form suggests energetically favored patterns of interactions which control molecular aggregation during nucleation. Introduction of additives during crystallization is sometimes used as a suitable strategy to obtain metastable polymorphs in cases where it is not easy to capture the same by conventional crystallization methods. Comparative analysis of energy relationships and intermolecular interactions between thermodynamically stable and metastable crystal forms provides valuable clues about the nature of growth synthons at prenucleation clustering and preferential crystallization of the thermodynamic form. Conformationally flexible sulfonamide/sulfoester derivatives constituting electron rich and electron deficient aromatic rings were synthesized to study the interplay between pi-stacking and hydrogen bonding synthons. We have identified and characterized the thermodynamically stable and metastable elusive polymorphs of aromatic sulfonamides 1 and 2 and sulfoesters 3 and 4. However, these compounds eluded polymorphism during crystallisation from various common solvents/conditions and only produced thermodynamically stable crystals forms (form I crystals). Surprisingly, exploitation of pyrazinamide as an additive in different stoichiometric ratios during crystallization gave elusive polymorphs [three for 1 (form 1II, form 1III, and form 1IV) and one each for 2 (form 2II), 3 (form 3II), and 4 (form 4II)]. Molecules in stable crystal forms of these compounds are linked via extended chains of parallel displaced pi...pi stacking interactions that seem to play a vital role in driving the self-assembly of molecules and subsequently governing the nucleation process. In contrast, molecules in metastable polymorphs are devoid of such extended pi-stacking assemblies. Interestingly, differential scanning calorimetry, hot stage microscopy, and X-ray crystallographic studies confirmed the thermal crystal-to-crystal transition of all three metastable polymorphs of 1 (form 1II, form 1III, and form 1IV) to its thermodynamically stable crystal form (form 1I). Conformational analysis of molecule 1 using density functional theory calculations also validated higher stability for syn conformation (observed in Form 1I crystals) over anti and midway conformations (seen in metastable polymorphs). Melt crystallization of form 1I crystals of 1 on the larger face (001) of delta-pyrazinamide and lattice matching analysis (GRACE) revealed that the layered arrangement of molecules of delta-pyrazinamide (on 001 face) during heterogeneous nucleation acts as a template (heteroepitaxy) to provide a preferential site for the nucleation of new metastable polymorphs by selectively inhibiting the most preferred crystal form from growing into the nucleus. Solution state one- and two-dimensional (NOESY) H-1 NMR, scanning electron microscopy, and a Cambridge Structural Database survey were conducted to substantiate the role of additives during crystallization.</p>1 aGawade, Rupesh, L.1 aChakravarty, Debamitra, K.1 aKotmale, Amol1 aSangtani, Ekta1 aJoshi, Pranaya, V.1 aAhmed, Awais1 aMane, Manoj, V.1 aDas, Susanta1 aVanka, Kumar1 aRajamohanan, Pattuparambil, R.1 aPuranik, Vedavati, G.1 aGonnade, Rajesh, G.  uhttps://library.ncl.res.in/content/additive-mediated-syn-anti-conformational-tuning-nucleation-capture-elusive-polymorphs00772nas a2200193   4500008004100000245015200041210006900193260000800262300001600270490000700286100002200293700002000315700001700335700002300352700002200375700002400397700002100421856013600442       2016                        eng d00aAu(I)/Ag(I) co-operative catalysis: interception of Ag-bound carbocations with α-gold(I) enals in the imino-alkyne cyclizations with N-allenamides0 aAuIAgI cooperative catalysis interception of Agbound carbocation  cNOV  a14462-144650 v521 aBagle, Pradip, N.1 aMane, Manoj, V.1 aVanka, Kumar1 aShinde, Dinesh, R.1 aShaikh, Samir, R.1 aGonnade, Rajesh, G.1 aPatil, Nitin, T.  uhttps://library.ncl.res.in/content/auiagi-co-operative-catalysis-interception-ag-bound-carbocations-%CE%B1-goldi-enals-imino-alkyne01175nas a2200181   4500008004100000022001400041245011300055210006900168260011000237300001400347490000700361520040400368100002600772700002900798700002000827700002200847856012400869       2016                        eng d  a1359-734500aFrom insertion to multicomponent coupling: temperature dependent reactions of arynes with aliphatic alcohols0 aFrom insertion to multicomponent coupling temperature dependent   aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcNOV  a1665-16680 v523 a<p>The temperature dependent selectivity switch in the reaction of arynes with aliphatic alcohols in THF has been reported. At -20 degrees C, arynes smoothly insert into the O-H bond of alcohols to form alkyl aryl ethers. Interestingly, at 60 degrees C, a highly selective multicomponent coupling occurs with the solvent THF acting as the nucleophilic trigger affording (4-(alkoxy)butoxy)arenes.</p>1 aThangaraj, Manikandan1 aBhojgude, Sachin, Suresh1 aMane, Manoj, V.1 aBiju, Akkattu, T.  uhttps://library.ncl.res.in/content/insertion-multicomponent-coupling-temperature-dependent-reactions-arynes-aliphatic-002092nas a2200181   4500008004100000245013800041210006900179260000800248300001200256490000800268520138400276100002201660700002501682700002001707700002501727700002801752856013001780       2017                        eng d00aInvestigation of the biocompatibility and cytotoxicity associated with ROP initiator and its role in bulk polymerization of L-lactide0 aInvestigation of the biocompatibility and cytotoxicity associate  cFEB  a244-2510 v1113 aPoly (L-lactide) (PLLA) is one of the most attractive polymers for use in biomedical applications. In such applications it is necessary to reduce the use of toxic chemicals and catalysts used in PLLA synthesis, to minimize any adverse effects. In view of this, we have performed ring opening polymerization (ROP) of Llactide (LA) using biocompatible initiator, namely, Zinc L-Proline (ZnP) in bulk. High molecular weight PLLA (Mw up to 1.45 x 10(5) Da) was obtained using the ZnP complex. The ZnP complex is safe, easy to prepare, store and handle. H-1 and C-13 NMR spectra of PLLA were used to determine the extent of monomer conversion and stereo sequence respectively. Differential Scanning Calorimetry (DSC) and Size Exclusion Chromatography (SEC) were used to determine thermal properties, Mn, Mw and polydispersity index respectively. The mechanism of ROP of LA in the presence of ZnP was studied using Density Functional Theory (DFf) which was in good agreement with results from H-1 NMR and Matrix-Assisted Laser Desorption/Ionization Spectrometry (MALDI-TOF). Biocompatibility/non toxicity of PLLA prepared using ZnP was studied in-vitro using MTT assay by examining the proliferation rate of mouse myoblast C2C12 cell line. Escherichia coli and Staphylococcus aureus were used for the study of antibacterial activity of PLLA. (C) 2017 Elsevier Ltd. All rights reserved.1 aParwe, Sharad, P.1 aWarkad, Shrikant, D.1 aMane, Manoj, V.1 aShedage, Pranita, S.1 aGarnaik, Baijayantimala  uhttps://library.ncl.res.in/content/investigation-biocompatibility-and-cytotoxicity-associated-rop-initiator-and-its-role-bulk02039nas a2200181   4500008004100000245012900041210006900170260000800239300001000247490000800257520133100265100002901596700002801625700002001653700002201673700003001695856013201725       2018                        eng d00aDihedral angle control to improve the charge transport properties of conjugated polymers in organic field effect transistors0 aDihedral angle control to improve the charge transport propertie  cMAR  a51-580 v6953 aDiketopyrrolopyrrole (DPP) and i-Indigo (i-Ind) are two monomers that are widely explored as active materials in organic field effect transistor and solar cells. These two molecules showed impressive charge carrier mobility due to better packing that are facilitated by quadrupoles. We hypothesized that the copolymers of these monomers would also exhibit high charge carrier mobility. However, we envisioned that the dihedral angle at the connecting point between the monomers will play a crucial role in packing as well as charge transport. To understand the impact of dihedral angle on charge transport, we synthesized three copolymers, wherein the DPP was sandwiched between benzenes, thiophenes and furans. The copolymer of i-Indigo and furan comprising DPP showed a band gap of 1.4 eV with a very high dihedral angle of 179 degrees. The polymer was found to pack better and the coherence length was found to be 112 angstrom. The hole carrier mobility of these polymer was found to be highest among the synthesized polymer i. e. 0.01 cm(2)/vs. The copolymer comprising benzene did not transport hole and electrons. The dihedral angle at the connecting point between i and Indigo and benzene DPP was 143 angstrom, which the packing and consequently charge transport properties. (C) 2018 Elsevier B. V. All rights reserved.1 aDharmapurikar, Satej, S.1 aChithiravel, Sundaresan1 aMane, Manoj, V.1 aDeshmukh, Gunvant1 aKrishnamoorthy, Kothandam  uhttps://library.ncl.res.in/content/dihedral-angle-control-improve-charge-transport-properties-conjugated-polymers-organic-field01228nas a2200181   4500008004100000245012300041210006900164260000800233300001400241490000700255520054500262100002600807700002000833700002100853700002200874700002100896856012900917       2019                        eng d00aGold-catalyzed cycloisomerization of pyridine-bridged 1,8-Diynes: An expedient access to luminescent cycl[3.2.2]azines0 aGoldcatalyzed cycloisomerization of pyridinebridged 18Diynes An   cSEP  a7109-71130 v213 a<p>Gold-catalyzed diyne cycloisomerizations involving carbene/alkyne metathesis have been the focal point of attention for the past few years as it offers great potential to build complex polycyclic architectures. However, the design of novel cycloisomerizations has been mostly limited to 1,5/1,6-diynes and has remained very challenging to apply for higher 1,n-diynes. Herein, we disclose an unprecedented cycloisomerization of pyridine-bridged 1,8-diynes involving carbene/alkyne metathesis to access luminescent cycl[3.2.2]azines.</p>
1 aChintawar, Chetan, C.1 aMane, Manoj, V.1 aTathe, Akash, G.1 aBiswas, Suprakash1 aPatil, Nitin, T.  uhttps://library.ncl.res.in/content/gold-catalyzed-cycloisomerization-pyridine-bridged-18-diynes-expedient-access-luminescent01150nas a2200217   4500008004100000022001400041245013000055210006900185260000900254300001200263490000700275520036900282100002200651700002000673700002700693700001900720700002200739700001800761700002100779856013200800       2019                        eng d  a1523-706000aGold(I)-catalyzed hydroxy group assisted C(sp(2))-H alkylation of enaminones with diazo compounds to access 3-alkyl chromones0 aGoldIcatalyzed hydroxy group assisted Csp2H alkylation of enamin  cJAN   a335-3390 v213 a<p>A strategy for expedient synthesis of 3-substituted chromones from easily available o-hydroxyarylenaminones and diazo compounds has been developed. Carefully conducted experimental and computational studies led us to propose an uncommon mechanistic pathway involving the hydroxyl group assisted alkylation of enaminones with in situ generated gold carbenes.</p>1 aBagle, Pradip, N.1 aMane, Manoj, V.1 aSancheti, Shashank, P.1 aGade, Amol, B.1 aShaikh, Samir, R.1 aBaik, Mu-Hyun1 aPatil, Nitin, T.  uhttps://library.ncl.res.in/content/goldi-catalyzed-hydroxy-group-assisted-csp2-h-alkylation-enaminones-diazo-compounds-access-301366nas a2200265   4500008004100000022001400041245016100055210006900216260000800285300001200293490000700305520041800312653001400730653001900744653002600763653002600789653001900815100001700834700002000851700002200871700002400893700002900917700002300946856013100969       2020                        eng d  a1861-472800aCatalyst-free regioselective [3+2] cycloadditions of alpha,beta-unsaturated N-arylnitrones with alkenes to access functionalized isoxazolidines: a DFT study0 aCatalystfree regioselective 32 cycloadditions of alphabetaunsatu  cMAR  a899-9030 v153 a<p>The catalyst-free regioselective [3+2]-cycloaddition of alpha,beta-unsaturated N-arylnitrones with alkenes are developed. The series of synthetically important functionalized isoxazolidines are prepared in good to excellent yields by step economic pathway under ligand and transition-metal-free conditions. The regioselective cycloaddition pathway supported by control experiment and computational study.</p>
10aDFT study10aisoxazolidines10ametal and ligand free10anitrone cycloaddition10aRegioselective1 aGhosh, Arnab1 aMane, Manoj, V.1 aRode, Haridas, B.1 aPatil, Siddappa, A.1 aSridhar, Balasubramanian1 aDateer, Ramesh, B.  uhttps://library.ncl.res.in/content/catalyst-free-regioselective-32-cycloadditions-alphabeta-unsaturated-n-arylnitrones-alkenes01336nas a2200181   4500008004100000022001400041245008300055210006900138260000800207300001400215490000800229520072000237100002600957700002300983700002001006700002101026856010701047       2022                        eng d  a0002-786300aEnantioselective Au(I)/Au(III) redox catalysis enabled by chiral (P,N)-ligands0 aEnantioselective AuIAuIII redox catalysis enabled by chiral PNli  cAPR  a7089-70950 v1443 a<p>
	Presented herein is the first report of enantioselective Au(I)/Au(III) redox catalysis, enabled by a newly designed hemilabile chiral (P,N)-ligand (ChetPhos). The potential of this concept has been demonstrated by the development of enantioselective 1,2-oxyarylation and 1,2-aminoarylation of alkenes which provided direct access to the medicinally relevant 3-oxy- and 3-aminochromans (up to 88% yield and 99% ee). DFT studies were carried out to unravel the enantiodetermining step, which revealed that the stronger trans influence of phosphorus allows selective positioning of the substrate in the C-2-symmetric chiral environment present around nitrogen, imparting a high level of enantioselectivity.</p>
1 aChintawar, Chetan, C.1 aBhoyare, Vivek, W.1 aMane, Manoj, V.1 aPatil, Nitin, T.  uhttps://library.ncl.res.in/content/enantioselective-auiauiii-redox-catalysis-enabled-chiral-pn-ligands01071nas a2200181   4500008004100000022001400041245006200055210006200117260000800179300001400187490000700201520049600208100002500704700002500729700002000754700002700774856008800801       2025                        eng d  a0022-326300aAryl borane as a catalyst for dehydrative amide synthesis0 aAryl borane as a catalyst for dehydrative amide synthesis  cJAN  a2271-22770 v903 a<p>
	Tris(pentafluorophenyl)borane B(C6F5)(3)H2O is reported as a catalyst for dehydrative amidation of carboxylic acids and amines. This protocol is applicable across a wide range of &gt;35 substrates, including aromatic and aliphatic amines and acids, resulting in amides in &lt;= 92% yields. The scalability of the reaction up to 10 mmol, along with the synthesis of drugs such as ibuprofen amide, moclobemide, and phenacetin, demonstrates the industrial potential of our protocol.</p>
1 aGavit, Amit, Vinayak1 aTalekar, Sanjana, S.1 aMane, Manoj, V.1 aSawant, Dinesh, Nanaji  uhttps://library.ncl.res.in/content/aryl-borane-catalyst-dehydrative-amide-synthesis