Open Access
Journal of Molecular Liquids, volume 367, pages 120481
CONFORMATIONAL PREFERENCES OF TOLFENAMIC ACID IN DMSO-CO2 SOLVENT SYSTEM BY 2D NOESY
Publication type: Journal Article
Publication date: 2022-12-01
Journal:
Journal of Molecular Liquids
Quartile SCImago
Q1
Quartile WOS
Q1
Impact factor: 6
ISSN: 01677322, 18733166
Materials Chemistry
Electronic, Optical and Magnetic Materials
Physical and Theoretical Chemistry
Spectroscopy
Atomic and Molecular Physics, and Optics
Condensed Matter Physics
Abstract
• The conformation state of tolfenamic acid in system scCO 2 and DMSO are studied by high-pressure two-dimensional NMR. • The conformational change of tolfenamic acid when adding a supercritical solvent. • An approach in conducting high-pressure 2D NOESY measurements is discussed. • This results of paper has potent application in the area of green chemistry and drug-like molecule research. Tolfenamic acid (TFA) has been used until recently in prevention and treatment of diseases with the pain and inflammation symptoms. It also showed an inhibitory activity to the growth of cancer cells in pancreas. However, use of TFA was ceased due to a number of side effects, and today it is not used in clinical practice. Conformational polymorphism of TFA makes it unique regarding possible modifications of its polymorphic forms, and till now new forms can be revealed. One of the methods of accessing different polymorphic modifications is applying supercritical fluidic techniques using the scCO 2 medium. The present paper reports the analysis of the spatial structure and conformational preferences of TFA in DMSO-d6 (at 25°C and 0.1 MPa) and in a mixed solvent scCO 2 + DMSO (45°C and 9 MPa) based on nuclear Overhauser effect spectroscopy. The results demonstrate changes in the conformer fractions depending on the medium used and thermodynamic parameters of state, which provides important control means for obtaining new polymorphic modifications.
Citations by journals
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Russian Journal of Physical Chemistry B
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Russian Journal of Physical Chemistry B
1 publication, 6.25%
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1 publication, 6.25%
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Membranes
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1 publication, 6.25%
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1 publication, 6.25%
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Citations by publishers
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Multidisciplinary Digital Publishing Institute (MDPI)
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Multidisciplinary Digital Publishing Institute (MDPI)
10 publications, 62.5%
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Elsevier
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5 publications, 31.25%
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Pleiades Publishing
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Pleiades Publishing
1 publication, 6.25%
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2
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10
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- We do not take into account publications that without a DOI.
- Statistics recalculated only for publications connected to researchers, organizations and labs registered on the platform.
- Statistics recalculated weekly.
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Belov K. V. et al. CONFORMATIONAL PREFERENCES OF TOLFENAMIC ACID IN DMSO-CO2 SOLVENT SYSTEM BY 2D NOESY // Journal of Molecular Liquids. 2022. Vol. 367. p. 120481.
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Belov K. V., Dyshin A. A., Krestyaninov M. A., Efimov S., Khodov I. A., Kiselev M. G. CONFORMATIONAL PREFERENCES OF TOLFENAMIC ACID IN DMSO-CO2 SOLVENT SYSTEM BY 2D NOESY // Journal of Molecular Liquids. 2022. Vol. 367. p. 120481.
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TY - JOUR
DO - 10.1016/j.molliq.2022.120481
UR - https://doi.org/10.1016%2Fj.molliq.2022.120481
TI - CONFORMATIONAL PREFERENCES OF TOLFENAMIC ACID IN DMSO-CO2 SOLVENT SYSTEM BY 2D NOESY
T2 - Journal of Molecular Liquids
AU - Belov, Konstantin V.
AU - Dyshin, Alexey A.
AU - Krestyaninov, Mikhail A.
AU - Efimov, Sergey
AU - Khodov, Ilya A.
AU - Kiselev, M G
PY - 2022
DA - 2022/12/01 00:00:00
PB - Elsevier
SP - 120481
VL - 367
SN - 0167-7322
SN - 1873-3166
ER -
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@article{2022_Belov,
author = {Konstantin V. Belov and Alexey A. Dyshin and Mikhail A. Krestyaninov and Sergey Efimov and Ilya A. Khodov and M G Kiselev},
title = {CONFORMATIONAL PREFERENCES OF TOLFENAMIC ACID IN DMSO-CO2 SOLVENT SYSTEM BY 2D NOESY},
journal = {Journal of Molecular Liquids},
year = {2022},
volume = {367},
publisher = {Elsevier},
month = {dec},
url = {https://doi.org/10.1016%2Fj.molliq.2022.120481},
pages = {120481},
doi = {10.1016/j.molliq.2022.120481}
}