Zobrazeno 1 - 5
of 5
pro vyhledávání: '"Ajit Kumar Prasad"'
Autor:
Indrajit Karmakar, Ajit Kumar Prasad, N.P. Yadav, Pranjalee Yadav, Ricardo Ferreira Bento, T. Yadav, Rajesh Kumar, Amit Pathak, G. N. Pandey, V. Mukherjee, A. Agarwal, Goutam Brahmachari
Publikováno v:
Journal of Molecular Structure. 1238:130450
This work describes the synthesis, conformational, thermodynamics and vibrational spectroscopic studies of N-n‑butyl, S-2-nitro-1-(p-tolyl)ethyl dithiocarbamate, a bio-relevant sulfur molecule. A total of seven low lying energy structures of N-n‑
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::90b0a0865b7ff8719e03a56d5614122c
https://doi.org/10.1016/j.molstruc.2021.130450
https://doi.org/10.1016/j.molstruc.2021.130450
Autor:
Ajit Kumar Prasad, P. C. Mishra
Publikováno v:
Chemical Physics Letters. 684:197-204
Scavenging of O 2 - and OH by urea, thiourea, selenourea and their derivatives in both gas phase and aqueous medium has been investigated using density functional theory. It has been found that O 2 - would be scavenged efficiently by single hydrogen
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d219a20c162aa951b829db5b8c51de5b
https://doi.org/10.1016/j.cplett.2017.06.040
https://doi.org/10.1016/j.cplett.2017.06.040
Autor:
A. Agarwal, B.P. Bag, T. Yadav, Amit Pathak, S. Srivastav, Indrajit Karmakar, N.K. Dubey, Abhishek Vats, Ajit Kumar Prasad, P. Yadav, Goutam Brahmachari, G. N. Pandey, V. Mukherjee
Publikováno v:
Chemical Physics Letters. 762:138124
The present manuscript reports the synthesis, structural confirmation, thermodynamics and vibrational spectroscopic studies of an important biorelevant molecule, named N-iso-butyl, S-2-nitro-1-phenylethyl dithiocarbamate in the gas phase. We have fou
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::40670d9304930b16b21ac5f952edba97
https://doi.org/10.1016/j.cplett.2020.138124
https://doi.org/10.1016/j.cplett.2020.138124
Autor:
P. C. Mishra, Ajit Kumar Prasad
Publikováno v:
Journal of Physical Organic Chemistry. 27:18-26
The scavenging action of zingerone, a phenolic anti-oxidant, toward the hydroxyl radical has been studied employing density functional theory. All the relevant potential energy surface extrema were located by optimizing geometries of the reactant com
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::099f61266905f2242a90437722c436c7
https://doi.org/10.1002/poc.3200
https://doi.org/10.1002/poc.3200
Autor:
P.C. Mishra, Ajit Kumar Prasad
Publikováno v:
The journal of physical chemistry. B. 119(25)
The mechanism of action of sulforaphane as a scavenger of superoxide radical anion (O2(•-)) and hydrogen peroxide (H2O2) was investigated using density functional theory (DFT) in both gas phase and aqueous media. Iron superoxide dismutase (Fe-SOD)
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::62ddb1fdf01f503b7ea1feeaa6e81dd8
https://pubmed.ncbi.nlm.nih.gov/26020652
https://pubmed.ncbi.nlm.nih.gov/26020652