Search Results - "Giri, Kousik"
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Effect of arsenate substitution on phosphate repository of cell: a computational study
Published in Royal Society open science (01-11-2018)“…The structural analogy with phosphate derives arsenate into various metabolic processes associated with phosphate inside the organisms. But it is difficult to…”
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Correction to: 'Effect of arsenate substitution on phosphate repository of cell: a computational study'
Published in Royal Society open science (01-01-2019)“…[This corrects the article DOI: 10.1098/rsos.181565.]…”
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3-Cyano-2-azaanthracene-based “push-pull” fluorophores: A one-step preparation from 5-cyano-1,2,4-triazines and 2,3-dehydronaphthalene, generated in situ
Published in Tetrahedron letters (14-12-2016)“…[Display omitted] •A one-step approach toward 3-cyano-2-azaanthracene fluorophores was reported.•Only readily available reagents, simple one-step procedures,…”
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Arsenate and Arsenite Reaction Kinetics with Ferric Hydroxides Using Quantum Chemical Calculations
Published in Chimica Techno Acta (29-10-2018)“…The knowledge of the mechanism involved in the process of adsorption and desorption of arsenate and arsenite with ferric hydroxides is important to address the…”
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Effect of Alkylation on the Kinetic Stability of Arsenodiester and Organoarsenicals against Hydrolysis: A Theoretical Study
Published in Chimica Techno Acta (31-07-2018)“…Arsenic diesters have same structural and chemical properties as Pi (phosphate) diester. Beside this structural similarity, arsenate is not considered by…”
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Energy-Barrier-less Synthesis of Hexaaza-trifuranacyclopentadecaphane-hexaene at Ambient Temperature
Published in Organic letters (27-09-2024)“…A thermochemically stable furan-based hexaaza-trifuranacyclopentadecaphane-hexaene (AF-cpdp) as a π12 12 cyclic-conjugated color enriched heterocycle has been…”
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Reactivity Switch in Glycal Dienes toward Different Nucleophiles: Mechanistic Insight and Applications toward the Synthesis of Naphthalene-Fused Pyran Derivatives
Published in Journal of organic chemistry (16-08-2024)“…The stereo- and regioselective formation of chiral molecules is an interesting and important topic in organic synthesis due to its wide applicability and…”
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Pd/C-Catalyzed Carbonylative Amidation for the Synthesis of 2-Carboxamidocyclohexane-1,3-diones
Published in Organic letters (24-11-2023)“…Herein, a first-ever heterogeneous Pd/C-catalyzed single-step tandem approach for the synthesis of 2-carboxamidocyclohexane-1,3-diones via direct carbonylative…”
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Disruptive influence of the host cage C60 on the guest He–H+ bond and bonding in H3
Published in Journal of the Indian Chemical Society (01-08-2021)“…Although a helium atom prefers to stay at the centre of a fullerene (C60) cage and a proton binds with one of the carbon atoms from inside, DFT(MN15)/cc-pVTZ…”
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Iodine-PEG as a unique combination for the metal-free synthesis of flavonoids through iodonium-triiodide ion-pair complexation
Published in RSC advances (14-02-2024)“…An efficient metal-free single-step protocol has been developed for the direct synthesis of flavones from 2-hydroxyacetophenone and substituted benzaldehydes…”
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Supported-Pd catalyzed tandem approach for N-arylbenzamides synthesis
Published in Molecular catalysis (01-11-2021)“…•A single step domino approach for the direct synthesis of N-phenylbenzamide scaffolds under supported palladium catalyzed conditions.•Bifunctional…”
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Quantum dynamics of (H −, HD) collisions at low energies
Published in Chemical physics letters (17-08-2007)“…Feshbach resonances are identified in reaction probability versus energy curves for (H −, HD) collisions at low energies. Time-independent quantum mechanical…”
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Solvent-free synthesis of 5-(aryl/alkyl)amino-1,2,4-triazines and α-arylamino-2,2′-bipyridines with greener prospects
Published in RSC advances (2017)“…A green and highly efficient method has been developed for the synthesis of 5-(aryl/alkyl)amino-1,2,4-triazines and α-arylamino-2,2′-bipyridines according to…”
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Synthesis and photophysics of new unsymmetrically substituted 5,5′-diaryl-2,2′-bypiridine-based “push-pull” fluorophores
Published in Dyes and pigments (01-03-2019)“…New unsymmetrically substituted 5,5′-diaryl-2,2′-bypiridine “push-pull” fluorophores were prepared in good yields via the “1,2,4-triazine method”/Suzuki…”
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CuO Nanoparticles as a Simple and Efficient Green Catalyst for the Aziridine Ring‐Opening: Examination of a Broad Range of Nucleophiles
Published in ChemistrySelect (Weinheim) (23-04-2020)“…It has been observed that CuO nanoparticles act as effective and reusable catalyst for the ring‐opening reaction of aziridines with a wide range of…”
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Influence of Reagent Rotation on (H-, D2) and (D-, H2) Collisions: A Quantum Mechanical Study
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (28-12-2006)“…Time-independent quantum mechanical (TIQM) approach (helicity basis truncated at k = 2) has been used for computing differential and integral cross sections…”
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A PASE Approach towards (Adamantyl‐1)‐, Alkyl‐ and (Het)Aryl‐Substituted [1, 2,4]triazolo[1, 5‐d][1, 2,4]triazines: A Sequence of Two Solvent‐Free Reactions Bearing Lower E‐Factors
Published in ChemistrySelect (Weinheim) (31-07-2018)“…A Pot, Atom, Step Economic (PASE) approach is reported towards [1, 2,4]triazolo[1, 5‐d][1, 2,4]triazines, substituted with the azole ring with pharmacophore…”
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Ground and Excited States of the Monomer and Dimer of Certain Carboxylic Acids
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (02-03-2006)“…The ground-state properties of the monomer and the dimer of formic acid, acetic acid, and benzoic acid have been investigated using Hartree−Fock (HF) and…”
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