AIP Conference Proceedings

Determination of preferred conformations of mefenamic acid in DMSO by NMR spectroscopy and GIAO calculation

De Carvalho L A E Batista
Publication typeProceedings Article
Publication date2019-01-12
Quartile SCImago
Quartile WOS
Impact factor
ISSN0094243X, 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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GOST Copy
Khodov I. A. et al. Determination of preferred conformations of mefenamic acid in DMSO by NMR spectroscopy and GIAO calculation // AIP Conference Proceedings. 2019.
GOST all authors (up to 50) Copy
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.
RIS |
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RIS Copy
TY - CPAPER
DO - 10.1063/1.5087339
UR - https://doi.org/10.1063%2F1.5087339
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 00:00:00
PB - American Institute of Physics (AIP)
SN - 0094-243X
SN - 1551-7616
ER -
BibTex
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BibTex Copy
@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 = {American Institute of Physics (AIP)}
}
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