Determination of preferred conformations of mefenamic acid in DMSO by NMR spectroscopy and GIAO calculation
Publication type: Proceedings Article
Publication date: 2019-01-12
SJR: 0.153
CiteScore: 0.5
Impact factor: —
ISSN: 0094243X, 15517616
Abstract
The paper is dedicated to preferred conformations of mefenamic acid in DMSO. A complex approach based on NME experiments and GIAO quantum chemical calculations was applied to reveal the dominant conformation of the mefenamic acid molecule (2-[(2,3-dimethylphenyl)amino]benzoic acid). Unlike the nuclear Overhauser effect measurements, this method is fast and provides qualitative information on preferred conformations of small molecules in solutions. Obtained results agree well with the X-ray investigation data.
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9
Total citations:
9
Citations from 2024:
1
(11%)
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Khodov I. A. et al. Determination of preferred conformations of mefenamic acid in DMSO by NMR spectroscopy and GIAO calculation // AIP Conference Proceedings. 2019.
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Khodov I. A., Belov K. V., Efimov S., De Carvalho L. A. E. B. Determination of preferred conformations of mefenamic acid in DMSO by NMR spectroscopy and GIAO calculation // AIP Conference Proceedings. 2019.
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TY - CPAPER
DO - 10.1063/1.5087339
UR - https://doi.org/10.1063/1.5087339
TI - Determination of preferred conformations of mefenamic acid in DMSO by NMR spectroscopy and GIAO calculation
T2 - AIP Conference Proceedings
AU - Khodov, I A
AU - Belov, K. V.
AU - Efimov, S.V.
AU - De Carvalho, L A E Batista
PY - 2019
DA - 2019/01/12
PB - AIP Publishing
SN - 0094-243X
SN - 1551-7616
ER -
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BibTex (up to 50 authors)
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@inproceedings{2019_Khodov,
author = {I A Khodov and K. V. Belov and S.V. Efimov and L A E Batista De Carvalho},
title = {Determination of preferred conformations of mefenamic acid in DMSO by NMR spectroscopy and GIAO calculation},
year = {2019},
month = {jan},
publisher = {AIP Publishing}
}
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