<?xml version="1.0" encoding="UTF-8"?><xml><records><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Deb, Pranab</style></author><author><style face="normal" font="default" size="100%">Haldar, Tapas</style></author><author><style face="normal" font="default" size="100%">Kashid, Somnath M.</style></author><author><style face="normal" font="default" size="100%">Banerjee, Subhrashis</style></author><author><style face="normal" font="default" size="100%">Chakrabarty, Suman</style></author><author><style face="normal" font="default" size="100%">Bagchi, Sayan</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Correlating Nitrile IR frequencies to local electrostatics quantifies noncovalent interactions of peptides and proteins</style></title><secondary-title><style face="normal" font="default" size="100%">Journal of Physical Chemistry B</style></secondary-title></titles><dates><year><style  face="normal" font="default" size="100%">2016</style></year><pub-dates><date><style  face="normal" font="default" size="100%">MAY</style></date></pub-dates></dates><number><style face="normal" font="default" size="100%">17</style></number><publisher><style face="normal" font="default" size="100%">AMER CHEMICAL SOC</style></publisher><pub-location><style face="normal" font="default" size="100%">1155 16TH ST, NW, WASHINGTON, DC 20036 USA</style></pub-location><volume><style face="normal" font="default" size="100%">120</style></volume><pages><style face="normal" font="default" size="100%">4034-4046</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p&gt;Noncovalent interactions, in particular the hydrogen bonds and nonspecific long-range electrostatic interactions are fundamental to biomolecular functions. A molecular understanding of the local electrostatic environment, consistently for both specific (hydrogen-bonding) and nonspecific electrostatic (local polarity) interactions, is essential for a detailed understanding of these processes. Vibrational Stark Effect (VSE) has proven to be an extremely useful method to measure the local electric field using infrared spectroscopy of carbonyl and nitrile based probes. The nitrile chemical group would be an ideal choice because of its absorption in an infrared spectral window transparent to biomolecules, ease of site-specific incorporation into proteins, and common occurrence as a substituent in various drug molecules. However, the inability of VSE to describe the dependence of IR frequency on electric field for hydrogen-bonded nitriles to date has severely limited nitrile's utility to probe the noncovalent interactions. In this work, using infrared spectroscopy and atomistic molecular dynamics simulations, we have reported for the first time a linear correlation between nitrile frequencies and electric fields in a wide range of hydrogen-bonding environments that may bridge the existing gap between VSE and H-bonding interactions. We have demonstrated the robustness of this field-frequency correlation for both aromatic nitriles and sulfur-based nitriles in a wide range of molecules of varying size and compactness, including small molecules in complex solvation environments, an amino acid, disordered peptides, and structured proteins. This correlation, when coupled to VSE, can be used to quantify noncovalent interactions, specific or nonspecific, in a consistent manner.&lt;/p&gt;</style></abstract><issue><style face="normal" font="default" size="100%">17</style></issue><work-type><style face="normal" font="default" size="100%">Article</style></work-type><custom3><style face="normal" font="default" size="100%">&lt;p&gt;Foreign&lt;/p&gt;</style></custom3><custom4><style face="normal" font="default" size="100%">3.187</style></custom4></record><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Halder, Arjun</style></author><author><style face="normal" font="default" size="100%">Kandambeth, Sharath</style></author><author><style face="normal" font="default" size="100%">Biswal, Bishnu P.</style></author><author><style face="normal" font="default" size="100%">Kaur, Gagandeep</style></author><author><style face="normal" font="default" size="100%">Roy, Neha Chaki</style></author><author><style face="normal" font="default" size="100%">Addicoat, Matthew A.</style></author><author><style face="normal" font="default" size="100%">Salunke, Jagadish K.</style></author><author><style face="normal" font="default" size="100%">Banerjee, Subhrashis</style></author><author><style face="normal" font="default" size="100%">Vanka, Kumar</style></author><author><style face="normal" font="default" size="100%">Heine, Thomas</style></author><author><style face="normal" font="default" size="100%">Verma, Sandeep</style></author><author><style face="normal" font="default" size="100%">Banerjee, Rahul</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Decoding the morphological diversity in two dimensional crystalline porous polymers by core planarity modulation</style></title><secondary-title><style face="normal" font="default" size="100%">Angewandte Chemie - International Edition</style></secondary-title></titles><dates><year><style  face="normal" font="default" size="100%">2016</style></year><pub-dates><date><style  face="normal" font="default" size="100%">JUN</style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">55</style></volume><pages><style face="normal" font="default" size="100%">7806-7810</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><issue><style face="normal" font="default" size="100%">27</style></issue><custom3><style face="normal" font="default" size="100%">&lt;p&gt;Foreign&lt;/p&gt;</style></custom3><custom4><style face="normal" font="default" size="100%">&lt;p&gt;11.709&lt;/p&gt;</style></custom4></record><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Chakrabarty, Indradweep</style></author><author><style face="normal" font="default" size="100%">Inamdar, Suleman M.</style></author><author><style face="normal" font="default" size="100%">Akram, Manjur O.</style></author><author><style face="normal" font="default" size="100%">Gade, Amol B.</style></author><author><style face="normal" font="default" size="100%">Banerjee, Subhrashis</style></author><author><style face="normal" font="default" size="100%">Bera, Saibal</style></author><author><style face="normal" font="default" size="100%">Patil, Nitin T.</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">[3+2]-Annulation of platinum-bound azomethine ylides with distal C[double bond, length as m-dash]C bonds of N-allenamides</style></title><secondary-title><style face="normal" font="default" size="100%">Chemical Communications</style></secondary-title></titles><dates><year><style  face="normal" font="default" size="100%">2017</style></year><pub-dates><date><style  face="normal" font="default" size="100%">JAN</style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">53</style></volume><pages><style face="normal" font="default" size="100%">196-199</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p&gt;A Pt-catalyzed, highly regioselective reaction between N-allenamides and imino-alkynes leading to pyrrolo[1,2-a] indoles is described. This represents the first example of [3+2]-annulation of Pt-bound azomethine ylides with the distal CQC bond of N-allenamides. The mechanism of the reaction was established by computational studies.&lt;/p&gt;</style></abstract><issue><style face="normal" font="default" size="100%">1</style></issue><work-type><style face="normal" font="default" size="100%">Article</style></work-type><custom3><style face="normal" font="default" size="100%">&lt;p&gt;Foreign&lt;/p&gt;</style></custom3><custom4><style face="normal" font="default" size="100%">&lt;p&gt;6.567&lt;/p&gt;</style></custom4></record><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Karak, Suvendu</style></author><author><style face="normal" font="default" size="100%">Kumar, Sushil</style></author><author><style face="normal" font="default" size="100%">Bera, Saibal</style></author><author><style face="normal" font="default" size="100%">Diaz Diaz, David</style></author><author><style face="normal" font="default" size="100%">Banerjee, Subhrashis</style></author><author><style face="normal" font="default" size="100%">Vanka, Kumar</style></author><author><style face="normal" font="default" size="100%">Banerjee, Rahul</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Interplaying anions in a supramolecular metallohydrogel to form metal organic frameworks</style></title><secondary-title><style face="normal" font="default" size="100%">Chemical Communications</style></secondary-title></titles><dates><year><style  face="normal" font="default" size="100%">2017</style></year><pub-dates><date><style  face="normal" font="default" size="100%">APR</style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">53</style></volume><pages><style face="normal" font="default" size="100%">3705-3708</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">The remarkable effect of anions on the transition from supramolecular gels to crystalline phases has been described. An amino acid-based metallohydrogel was transformed into different metal-organic frameworks through the selective picking of anions. The metallohydrogel and the resulting metal-organic frameworks (MOFs) were thoroughly characterized. The results demonstrated controlled access over the binding of a particular anion to selectively form a particular MOF.</style></abstract><issue><style face="normal" font="default" size="100%">26</style></issue><work-type><style face="normal" font="default" size="100%">Article</style></work-type><custom3><style face="normal" font="default" size="100%">Foreign</style></custom3><custom4><style face="normal" font="default" size="100%">6.567</style></custom4></record><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Mukherjee, Gargi</style></author><author><style face="normal" font="default" size="100%">Thote, Jayshri</style></author><author><style face="normal" font="default" size="100%">Aiyappa, Harshitha Barike</style></author><author><style face="normal" font="default" size="100%">Kandambeth, Sharath</style></author><author><style face="normal" font="default" size="100%">Banerjee, Subhrashis</style></author><author><style face="normal" font="default" size="100%">Vanka, Kumar</style></author><author><style face="normal" font="default" size="100%">Banerjee, Rahul</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Porous porphyrin organic polymer (PPOP) for visible light triggered hydrogen production</style></title><secondary-title><style face="normal" font="default" size="100%">Chemical Communications</style></secondary-title></titles><dates><year><style  face="normal" font="default" size="100%">2017</style></year><pub-dates><date><style  face="normal" font="default" size="100%">APR</style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">53</style></volume><pages><style face="normal" font="default" size="100%">4461-4464</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">A visible light active porphyrin-based porous organic polymer having high chemical stability and surface area has been synthesized and its ability to influence the photocatalytic activity of large band gap-TiO2 nanoparticles has been tested. The resultant composite shows improved photocatalytic activity as compared to the parent precursors. This study provides insights into the photosensitizing ability of the polymer in addition to its ability to firmly harbor nanoparticles onto its surface.</style></abstract><issue><style face="normal" font="default" size="100%">32</style></issue><work-type><style face="normal" font="default" size="100%">Article</style></work-type><custom3><style face="normal" font="default" size="100%">Foreign</style></custom3><custom4><style face="normal" font="default" size="100%">6.567</style></custom4><section><style face="normal" font="default" size="100%">4461-4464</style></section></record><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Mitra, Shouvik</style></author><author><style face="normal" font="default" size="100%">Kandambeth, Sharath</style></author><author><style face="normal" font="default" size="100%">Biswal, Bishnu P.</style></author><author><style face="normal" font="default" size="100%">Khayum, Abdul M.</style></author><author><style face="normal" font="default" size="100%">Choudhury, Chandan Kumar</style></author><author><style face="normal" font="default" size="100%">Mehta, Mihir R.</style></author><author><style face="normal" font="default" size="100%">Kaur, Gagandeep</style></author><author><style face="normal" font="default" size="100%">Banerjee, Subhrashis</style></author><author><style face="normal" font="default" size="100%">Prabhune, Asmita</style></author><author><style face="normal" font="default" size="100%">Verma, Sandeep</style></author><author><style face="normal" font="default" size="100%">Roy, Sudip</style></author><author><style face="normal" font="default" size="100%">Kharul, Ulhas K.</style></author><author><style face="normal" font="default" size="100%">Banerjee, Rahul</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Self-exfoliated guanidinium-based ionic covalent organic nanosheets (iCONs)</style></title><secondary-title><style face="normal" font="default" size="100%">Journal of the American Chemical Society</style></secondary-title></titles><dates><year><style  face="normal" font="default" size="100%">2017</style></year><pub-dates><date><style  face="normal" font="default" size="100%">MAR</style></date></pub-dates></dates><number><style face="normal" font="default" size="100%">8</style></number><publisher><style face="normal" font="default" size="100%">AMER CHEMICAL SOC</style></publisher><pub-location><style face="normal" font="default" size="100%">1155 16TH ST, NW, WASHINGTON, DC 20036 USA</style></pub-location><volume><style face="normal" font="default" size="100%">138</style></volume><pages><style face="normal" font="default" size="100%">2823-2828</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p&gt;Covalent organic nanosheets (CONs) have emerged as functional two-dimensional materials for versatile applications. Although pi-pi stacking between layers, hydrolytic instability, possible restacking prevents their exfoliation on to few thin layered CONs from crystalline porous polymers. We anticipated rational designing of a structure by intrinsic ionic linker could be the solution to produce self-exfoliated CONs without external stimuli. In an attempt to address this issue, we have synthesized three self-exfoliated guanidinium halide based ionic covalent organic nanosheets (iCONs) with antimicrobial property. Self-exfoliation phenomenon has been supported by molecular dynamics (MD) simulation as well. Intrinsic ionic guanidinium unit plays the pivotal role for both self-exfoliation and antibacterial property against both Gram-positive and Gram-negative bacteria. Using such iCONs, we have devised a Mixed matrix membrane which could be useful for antimicrobial coatings with plausible medical benefits.&lt;/p&gt;</style></abstract><issue><style face="normal" font="default" size="100%">8</style></issue><custom3><style face="normal" font="default" size="100%">&lt;p&gt;Foreign&lt;/p&gt;</style></custom3><custom4><style face="normal" font="default" size="100%">&lt;p&gt;13.038&lt;/p&gt;</style></custom4></record><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Banerjee, Subhrashis</style></author><author><style face="normal" font="default" size="100%">Vanka, Kumar</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">B(C6F5)(3): catalyst or initiator? insights from computational studies into surrogate silicon chemistry</style></title><secondary-title><style face="normal" font="default" size="100%">ACS Catalysis</style></secondary-title></titles><keywords><keyword><style  face="normal" font="default" size="100%">autocatalysis</style></keyword><keyword><style  face="normal" font="default" size="100%">Density functional theory</style></keyword><keyword><style  face="normal" font="default" size="100%">ion-pair</style></keyword><keyword><style  face="normal" font="default" size="100%">Lewis acid catalysis</style></keyword><keyword><style  face="normal" font="default" size="100%">reaction mechanism</style></keyword><keyword><style  face="normal" font="default" size="100%">surrogate silicone chemistry</style></keyword><keyword><style  face="normal" font="default" size="100%">tris(pentafluorophenyl)borane</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2018</style></year><pub-dates><date><style  face="normal" font="default" size="100%">JUL</style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">8</style></volume><pages><style face="normal" font="default" size="100%">6163-6176</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p&gt;One of the most promising recent developments in catalysis has been the use of the metal-free Lewis acid B(C6F5)(3) as a catalyst for a range of different chemical transformations. Perhaps the most impressive achievement in this regard is the recently accomplished in situ generation of SiH4 from surrogates (Simonneau and Oestreich, Nat. Chem., 2015,7, 816). However, what the current computational work, with density functional theory, reveals is that this process, in addition to being catalyzed by B(C6F5)(3), is also significantly dominated by a series of autocatalytic reactions. The results are further corroborated by the use of the energetic span model, which shows that the turnover frequency is higher for the newly proposed autocatalytic pathway in comparison to the conventional B(C6F5)(3)-catalyzed pathway. The current work therefore provides interesting new insights into surrogate silicon chemistry. But, more importantly, the current studies indicate that B(C6F5)(3) is likely to function more as an initiator rather than a pure catalyst in many metal-free transformations that have been reported to date.&lt;/p&gt;</style></abstract><issue><style face="normal" font="default" size="100%">7</style></issue><work-type><style face="normal" font="default" size="100%">Article</style></work-type><custom3><style face="normal" font="default" size="100%">Foreign</style></custom3><custom4><style face="normal" font="default" size="100%">10.614</style></custom4></record><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Gade, Amol B.</style></author><author><style face="normal" font="default" size="100%">Bagle, Pradip N.</style></author><author><style face="normal" font="default" size="100%">Shinde, Popat S.</style></author><author><style face="normal" font="default" size="100%">Bhardwaj, Vipin</style></author><author><style face="normal" font="default" size="100%">Banerjee, Subhrashis</style></author><author><style face="normal" font="default" size="100%">Chande, Ajit</style></author><author><style face="normal" font="default" size="100%">Patil, Nitin T.</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Catalytic enantioselective 1,3-alkyl shift in alkyl aryl ethers: efficient synthesis of optically active 3,3 '-diaryloxindoles</style></title><secondary-title><style face="normal" font="default" size="100%">Angewandte Chemie-International Edition</style></secondary-title></titles><dates><year><style  face="normal" font="default" size="100%">2018</style></year><pub-dates><date><style  face="normal" font="default" size="100%">MAY</style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">57</style></volume><pages><style face="normal" font="default" size="100%">5735-5739</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">Reported is the first organocatalytic asymmetric 1,3-alkyl shift in alkyl aryl ethers for the synthesis of chiral 3,3'-diaryloxindoles using a chiral Bronsted acid catalyst. Preliminary results showed that each enantiomer of the 3,3'-diaryloxindole, and a racemic mixture, showed different antiproliferative activities against HeLa cell lines by using an MTT assay.</style></abstract><issue><style face="normal" font="default" size="100%">20</style></issue><custom3><style face="normal" font="default" size="100%">Foreign</style></custom3><custom4><style face="normal" font="default" size="100%">11.994</style></custom4></record><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Singh, Sandip Kumar</style></author><author><style face="normal" font="default" size="100%">Banerjee, Subhrashis</style></author><author><style face="normal" font="default" size="100%">Vanka, Kumar</style></author><author><style face="normal" font="default" size="100%">Dhepe, Paresh Laxmikant</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Understanding interactions between lignin and ionic liquids with experimental and theoretical studies during catalytic depolymerisation</style></title><secondary-title><style face="normal" font="default" size="100%">Catalysis Today</style></secondary-title></titles><dates><year><style  face="normal" font="default" size="100%">2018</style></year><pub-dates><date><style  face="normal" font="default" size="100%">JUL</style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">309</style></volume><pages><style face="normal" font="default" size="100%">98-108</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">Compared to H2SO4, Bronsted acidic ionic liquid (BAIL, [C3SO3HMIM][HSO4]) catalyzed depolymerization of lignin yielded higher concentration of low molecular weight products under mild conditions (120 degrees C) as proven by GC and GC-MS. To comprehend this disparity in catalytic activity among H2SO4 and BAIL (at similar H+ concentration), experimental techniques [1D(H-1) NMR, 2D(N-15/H-1 HMBC) NMR and RAMAN] have been employed. Based on these studies, it has been proven that the transfer of electron density from substrate to the electron deficient imidazolium ring via formation of hydrogen bond between -OH/OCH3 (substrate) and -N1C2H2N3-(cation) is possible, while the anion plays an important role. Further, density functional theory (DFT) calculations also corroborated this fact by showing a change in the bond angle and decrease in bond length (C-2-H-2 in imidazole), due to the presence of weak and strong hydrogen bonding between the substrate and IL.</style></abstract><work-type><style face="normal" font="default" size="100%">Article</style></work-type><custom3><style face="normal" font="default" size="100%">foreign</style></custom3><custom4><style face="normal" font="default" size="100%">4.636</style></custom4></record><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Banerjee, Subhrashis</style></author><author><style face="normal" font="default" size="100%">Vanka, Kumar</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Computational insights into hydroboration with acyclic alpha-Borylamido-germylene and stannylene catalysts: Cooperative dual catalysis the key to system efficiency</style></title><secondary-title><style face="normal" font="default" size="100%">Polyhedron</style></secondary-title></titles><keywords><keyword><style  face="normal" font="default" size="100%">Catalysis of hydroboration</style></keyword><keyword><style  face="normal" font="default" size="100%">computational chemistry</style></keyword><keyword><style  face="normal" font="default" size="100%">Germylenes and stannylenes</style></keyword><keyword><style  face="normal" font="default" size="100%">Main group chemistry</style></keyword><keyword><style  face="normal" font="default" size="100%">New mechanism</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2022</style></year><pub-dates><date><style  face="normal" font="default" size="100%">AUG</style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">222</style></volume><pages><style face="normal" font="default" size="100%">115907</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p&gt;
	The chemistry of low valent main group compounds has grown as an alternative to the chemistry of less abundant and less green transition metal complexes. It has been found that low valent compounds such as carbenes, silylenes, stannylenes and germylenes are efficient for activating small molecules and for catalysis. However, the reaction mechanism and the factors that affect the rate of reaction are not completely understood. In this computational investigation with density functional theory (DFT), we investigate and demonstrate the efficiency of a new mechanism for the hydroboration of aldehydes by germylenes and stannylenes, in the presence of the common hydroborating agent, pinacolborane, HBpin. This mechanism involves an HBpin molecule as an additional catalyst that cooperates with the germylene or stannylene catalyst to efficiently carry out the hydroboration. This mechanism is first demonstrated to work for experimentally reported systems, and then shown to be efficient for newly proposed germylene and stannylene systems. These new systems are alpha-Borylamido-germylene ((2,6-iPr(2)C(6)H(3)NBCy(2))(2)Ge(II)) and alpha-Borylamido-stannylene((2,6-iPr(2)C(6)H(3)NBCy(2))(2)Sn(II)). These new insights will help researchers look into low valent germylene and stannylene chemistry from a new perspective.&lt;/p&gt;
</style></abstract><work-type><style face="normal" font="default" size="100%">Article</style></work-type><custom3><style face="normal" font="default" size="100%">&lt;p&gt;
	Foreign&lt;/p&gt;
</style></custom3><custom4><style face="normal" font="default" size="100%">&lt;p&gt;
	2.975&lt;/p&gt;
</style></custom4></record><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Kumar, Rohit</style></author><author><style face="normal" font="default" size="100%">Sharma, Vishal</style></author><author><style face="normal" font="default" size="100%">Banerjee, Subhrashis</style></author><author><style face="normal" font="default" size="100%">Vanka, Kumar</style></author><author><style face="normal" font="default" size="100%">Sen, Sakya S.</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Controlled reduction of isocyanates to formamides using monomeric magnesium</style></title><secondary-title><style face="normal" font="default" size="100%">Chemical Communications</style></secondary-title></titles><dates><year><style  face="normal" font="default" size="100%">2023</style></year><pub-dates><date><style  face="normal" font="default" size="100%">FEB</style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">59</style></volume><pages><style face="normal" font="default" size="100%">2255-2258</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p&gt;
	This work describes a transition metal-free methodology involving an efficient and controlled reduction of isocyanates to only formamide derivatives using pinacolborane (HBpin) as the hydrogenating agent and a bis(phosphino)carbazole ligand stabilized magnesium methyl complex (1) as the catalyst. A large number of substrates undergo selective hydroboration and give exclusively N-boryl formamides.&lt;/p&gt;
</style></abstract><issue><style face="normal" font="default" size="100%">16</style></issue><work-type><style face="normal" font="default" size="100%">Article</style></work-type><custom3><style face="normal" font="default" size="100%">&lt;p&gt;
	Foreign&lt;/p&gt;
</style></custom3><custom4><style face="normal" font="default" size="100%">&lt;p&gt;
	6.065&lt;/p&gt;
</style></custom4></record><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Banerjee, Subhrashis</style></author><author><style face="normal" font="default" size="100%">Vanka, Kumar</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">&quot;Weak&quot; C-H•••S interaction drives enantioselectivity in cinchona alkaloid complex catalyzed thiocyanation</style></title><secondary-title><style face="normal" font="default" size="100%">Chemistry-An Asian Journal</style></secondary-title></titles><keywords><keyword><style  face="normal" font="default" size="100%">Density functional calculations</style></keyword><keyword><style  face="normal" font="default" size="100%">Enantioselectivity</style></keyword><keyword><style  face="normal" font="default" size="100%">noncovalent interactions</style></keyword><keyword><style  face="normal" font="default" size="100%">organocatalysis</style></keyword><keyword><style  face="normal" font="default" size="100%">reaction mechanisms</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2023</style></year><pub-dates><date><style  face="normal" font="default" size="100%">JUL</style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">18</style></volume><pages><style face="normal" font="default" size="100%">e202300321</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p&gt;
	The great success of asymmetric organocatalysis has made it one of the most important advancements made in chemistry in the past two decades. A significant achievement in this context is the asymmetric organocatalysis of the thiocyanation reaction. In the current study, computational studies with density functional theory have been done in order to understand an interesting experimental finding: the reversal of enantioselectivity from R to S when the electrophile is changed from beta-keto ester to oxindole for the thiocyanation reaction with the cinchona alkaloid complex catalyst. The calculations reveal an unusual fact - the principal reason for the reversal is the presence of the C-H center dot center dot center dot S noncovalent interaction, which is present only in the major transition states in each of the two nucleophile cases. Only recently has it been realized that the supposedly weak C-H center dot center dot center dot S noncovalent interaction has the properties of a hydrogen bond, and the fact that this interaction is the cause of enantioselectivity has relevance, because of the large number of asymmetric transformations involving the sulphur heteroatom.&lt;/p&gt;
</style></abstract><issue><style face="normal" font="default" size="100%">14</style></issue><work-type><style face="normal" font="default" size="100%">Article</style></work-type><custom3><style face="normal" font="default" size="100%">&lt;p&gt;
	Foreign&lt;/p&gt;
</style></custom3><custom4><style face="normal" font="default" size="100%">&lt;p&gt;
	4.1&lt;/p&gt;
</style></custom4></record><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Sahoo, Padmini</style></author><author><style face="normal" font="default" size="100%">Chibde, Purva</style></author><author><style face="normal" font="default" size="100%">Das, Satyabrata</style></author><author><style face="normal" font="default" size="100%">Banerjee, Subhrashis</style></author><author><style face="normal" font="default" size="100%">Mali, Bhupendra P.</style></author><author><style face="normal" font="default" size="100%">Vanka, Kumar</style></author><author><style face="normal" font="default" size="100%">Gonnade, Rajesh G.</style></author><author><style face="normal" font="default" size="100%">Yildiz, Cem. B.</style></author><author><style face="normal" font="default" size="100%">Majumdar, Moumita</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Zwitterionic tetrastanna(II) cyclic crown</style></title><secondary-title><style face="normal" font="default" size="100%">European Journal of Inorganic  Chemistry</style></secondary-title></titles><keywords><keyword><style  face="normal" font="default" size="100%">Deprotonation</style></keyword><keyword><style  face="normal" font="default" size="100%">Imidazole</style></keyword><keyword><style  face="normal" font="default" size="100%">Macrocycle</style></keyword><keyword><style  face="normal" font="default" size="100%">Sn-II cation</style></keyword><keyword><style  face="normal" font="default" size="100%">stannylene</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2023</style></year><pub-dates><date><style  face="normal" font="default" size="100%">OCT </style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">26</style></volume><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p&gt;
	A 12-membered zwitterionic tetrastanna(II) cycle 1 having a crown ether-like topology has been isolated from the deprotonation of 1,1 &amp;amp; PRIME;-methylenediimidazole (B) with two equivalents of Sn[N(SiMe3)(2)](2) (A). The solid-state structure and NMR analysis confirms the tetrastanna(II) cycle 1 to be comprised of two stannate(II) and two stannyliumylidene ion pairs in alternating positions of the heterocycle. Computational analysis shows greater nucleophilicity at the proximally located stannate(II) centers. Nonetheless, the tetrastanna(II) cycle 1 remains poorly reactive due to engagement of Sn-II lone pair electrons in intramolecular donor-acceptor interactions. Simple deprotonation reaction between Sn[N(SiMe3)(2)](2) (A) and N-(diisopropylphenyl)imidazole (C) in equimolar ratio has led to a stannylene 2, involving the formation of a Sn-C covalent bond with the anionic imidazol-2-yl carbon center along with the release of NH(SiMe3)(2). Compound 2 exists as a dimer, where the unsubstituted ring nitrogen atom coordinated intermolecularly to the other stannylene center.&lt;/p&gt;
</style></abstract><issue><style face="normal" font="default" size="100%">29</style></issue><work-type><style face="normal" font="default" size="100%">Article</style></work-type><custom3><style face="normal" font="default" size="100%">&lt;p&gt;
	Foreign&lt;/p&gt;
</style></custom3><custom4><style face="normal" font="default" size="100%">&lt;p&gt;
	2.3&lt;/p&gt;
</style></custom4></record><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Subaramanian, Murugan</style></author><author><style face="normal" font="default" size="100%">Gouda, Chandrakant</style></author><author><style face="normal" font="default" size="100%">Roy, Triptesh Kumar</style></author><author><style face="normal" font="default" size="100%">Ganesan, Sivakumar</style></author><author><style face="normal" font="default" size="100%">Banerjee, Subhrashis</style></author><author><style face="normal" font="default" size="100%">Vanka, Kumar</style></author><author><style face="normal" font="default" size="100%">Balaraman, Ekambaram</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Dehydrogenative coupling of alcohols with internal alkynes under nickel catalysis: an access to β-deuterated branched ketones</style></title><secondary-title><style face="normal" font="default" size="100%">ACS Catalysis</style></secondary-title></titles><keywords><keyword><style  face="normal" font="default" size="100%">Alcohols</style></keyword><keyword><style  face="normal" font="default" size="100%">alpha-branched aryl ketones</style></keyword><keyword><style  face="normal" font="default" size="100%">dehydrogenative coupling</style></keyword><keyword><style  face="normal" font="default" size="100%">internal alkynes</style></keyword><keyword><style  face="normal" font="default" size="100%">nickel catalysis</style></keyword><keyword><style  face="normal" font="default" size="100%">pseudoumpolung</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2024</style></year><pub-dates><date><style  face="normal" font="default" size="100%">MAY</style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">14</style></volume><pages><style face="normal" font="default" size="100%">8294-8309</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p&gt;
	In synthetic organic chemistry, unconventional strategies for advanced chemical synthesis pose interesting and challenging problems. Alcohols act as alkylating agents in the C-C and C-N bond-forming reactions via the dehydrogenative borrowing hydrogen strategy in traditional transition metal catalysis; however, as an acylating agent in the C-C bond-forming reactions is challenging and rarely reported. Here, we report the dehydrogenative coupling of benzylic alcohols with internal alkynes under nickel(II) catalysis, wherein alcohol is used as an acylating agent. This reaction system affords a wide range of alpha-branched aryl ketone derivatives with zero waste generation through the umpolung borrowing hydrogen strategy. Moreover, we have demonstrated the chemodivergent applications of the alpha-disubstituted ketones to other valuable building blocks, including large-scale synthesis of beta-deuterated branched ketones. Several spectroscopic studies, intermediate identification, and density functional theory calculations were performed to elucidate the reaction mechanism.&lt;/p&gt;
</style></abstract><issue><style face="normal" font="default" size="100%">11</style></issue><work-type><style face="normal" font="default" size="100%">Article</style></work-type><custom3><style face="normal" font="default" size="100%">&lt;p&gt;
	Foreign&lt;/p&gt;
</style></custom3><custom4><style face="normal" font="default" size="100%">&lt;p&gt;
	12.9&lt;/p&gt;
</style></custom4></record><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Banerjee, Subhrashis</style></author><author><style face="normal" font="default" size="100%">Vanka, Kumar</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Role of aromatic alcohol additives on asymmetric organocatalysis reactions: insights from theory</style></title><secondary-title><style face="normal" font="default" size="100%">Chemistry-an asian jounrnal</style></secondary-title></titles><keywords><keyword><style  face="normal" font="default" size="100%">Additive</style></keyword><keyword><style  face="normal" font="default" size="100%">Asymmetric Organocatalysis</style></keyword><keyword><style  face="normal" font="default" size="100%">Cinchona Alkaloid</style></keyword><keyword><style  face="normal" font="default" size="100%">Density functional theory</style></keyword><keyword><style  face="normal" font="default" size="100%">Enantioselective Thiocyanation</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2024</style></year><pub-dates><date><style  face="normal" font="default" size="100%">FEB </style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">19</style></volume><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p&gt;
	The presence of an aromatic additive has been seen to enhance, often significantly, the enantioselectivity and yield in asymmetric organocatalysis. Considering their success across a dizzying range of organocatalysts and organic transformations, it would seem unlikely that a common principle exists for their functioning. However, the current investigations with DFT suggest a general principle: the phenolic additive sandwiches itself, through hydrogen bonding and pi &amp;amp; sdot;&amp;amp; sdot;&amp;amp; sdot;pi stacking, between the organocatalyst coordinated electrophile and nucleophile. This is seen for a wide range of experimentally reported systems. That such complex formation leads to enhanced stereoselectivity is then demonstrated for two cases: the cinchona alkaloid complex (BzCPD), catalysing thiocyanation (2-naphthol additive employed), as well as for L-pipecolicacid catalysing the asymmetric nitroaldol reaction with a range of nitro-substituted phenol additives. These findings, indicating that dual catalysis takes place when phenolic additives are employed, are likely to have a significant impact on the field of asymmetric organocatalysis. The current DFT based study, on a wide range of organocatalysis systems, reveals a general principle by which phenolic additives influence asymmetric organocatalysis reactions. It is shown that the phenolic additive forms a sandwich complex, through hydrogen bonding and pi &amp;amp; sdot;&amp;amp; sdot;&amp;amp; sdot;pi stacking interactions, with the organocatalyst coordinated electrophile and nucleophile, and enhances the enantioselectivity of the system as a result. image&lt;/p&gt;
</style></abstract><work-type><style face="normal" font="default" size="100%">Article</style></work-type><custom3><style face="normal" font="default" size="100%">&lt;p&gt;
	Foreign&lt;/p&gt;
</style></custom3><custom4><style face="normal" font="default" size="100%">&lt;p&gt;
	4.1&lt;/p&gt;
</style></custom4></record></records></xml>