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Exploring the Conformational Equilibrium of Mefenamic Acid Released from Silica Aerogels via NMR Analysis

This study examines the influence of mefenamic acid on the physical and chemical properties of silica aerogels, as well as its effect on the sorption characteristics of the composite material. Solid state magic angle spinning nuclear magnetic resonance (MAS NMR) and high-pressure (13)C NMR kinetic s...

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Autores principales: Khodov, Ilya, Sobornova, Valentina, Mulloyarova, Valeriya, Belov, Konstantin, Dyshin, Alexey, de Carvalho, Luís Batista, Tolstoy, Peter, Kiselev, Michael
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10138679/
https://www.ncbi.nlm.nih.gov/pubmed/37108046
http://dx.doi.org/10.3390/ijms24086882
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author Khodov, Ilya
Sobornova, Valentina
Mulloyarova, Valeriya
Belov, Konstantin
Dyshin, Alexey
de Carvalho, Luís Batista
Tolstoy, Peter
Kiselev, Michael
author_facet Khodov, Ilya
Sobornova, Valentina
Mulloyarova, Valeriya
Belov, Konstantin
Dyshin, Alexey
de Carvalho, Luís Batista
Tolstoy, Peter
Kiselev, Michael
author_sort Khodov, Ilya
collection PubMed
description This study examines the influence of mefenamic acid on the physical and chemical properties of silica aerogels, as well as its effect on the sorption characteristics of the composite material. Solid state magic angle spinning nuclear magnetic resonance (MAS NMR) and high-pressure (13)C NMR kinetic studies were conducted to identify the presence of mefenamic acid and measure the kinetic rates of CO(2) sorption. Additionally, a high-pressure T(1)–T(2) relaxation-relaxation correlation spectroscopy (RRCOSY) study was conducted to estimate the relative amount of mefenamic acid in the aerogel’s pores, and a high-pressure nuclear Overhauser effect spectoscopy (NOESY) study was conducted to investigate the conformational preference of mefenamic acid released from the aerogel. The results indicate that mefenamic acid is affected by the chemical environment of the aerogel, altering the ratio of mefenamic acid conformers from 75% to 25% in its absence to 22% to 78% in the presence of aerogel.
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spelling pubmed-101386792023-04-28 Exploring the Conformational Equilibrium of Mefenamic Acid Released from Silica Aerogels via NMR Analysis Khodov, Ilya Sobornova, Valentina Mulloyarova, Valeriya Belov, Konstantin Dyshin, Alexey de Carvalho, Luís Batista Tolstoy, Peter Kiselev, Michael Int J Mol Sci Article This study examines the influence of mefenamic acid on the physical and chemical properties of silica aerogels, as well as its effect on the sorption characteristics of the composite material. Solid state magic angle spinning nuclear magnetic resonance (MAS NMR) and high-pressure (13)C NMR kinetic studies were conducted to identify the presence of mefenamic acid and measure the kinetic rates of CO(2) sorption. Additionally, a high-pressure T(1)–T(2) relaxation-relaxation correlation spectroscopy (RRCOSY) study was conducted to estimate the relative amount of mefenamic acid in the aerogel’s pores, and a high-pressure nuclear Overhauser effect spectoscopy (NOESY) study was conducted to investigate the conformational preference of mefenamic acid released from the aerogel. The results indicate that mefenamic acid is affected by the chemical environment of the aerogel, altering the ratio of mefenamic acid conformers from 75% to 25% in its absence to 22% to 78% in the presence of aerogel. MDPI 2023-04-07 /pmc/articles/PMC10138679/ /pubmed/37108046 http://dx.doi.org/10.3390/ijms24086882 Text en © 2023 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Khodov, Ilya
Sobornova, Valentina
Mulloyarova, Valeriya
Belov, Konstantin
Dyshin, Alexey
de Carvalho, Luís Batista
Tolstoy, Peter
Kiselev, Michael
Exploring the Conformational Equilibrium of Mefenamic Acid Released from Silica Aerogels via NMR Analysis
title Exploring the Conformational Equilibrium of Mefenamic Acid Released from Silica Aerogels via NMR Analysis
title_full Exploring the Conformational Equilibrium of Mefenamic Acid Released from Silica Aerogels via NMR Analysis
title_fullStr Exploring the Conformational Equilibrium of Mefenamic Acid Released from Silica Aerogels via NMR Analysis
title_full_unstemmed Exploring the Conformational Equilibrium of Mefenamic Acid Released from Silica Aerogels via NMR Analysis
title_short Exploring the Conformational Equilibrium of Mefenamic Acid Released from Silica Aerogels via NMR Analysis
title_sort exploring the conformational equilibrium of mefenamic acid released from silica aerogels via nmr analysis
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10138679/
https://www.ncbi.nlm.nih.gov/pubmed/37108046
http://dx.doi.org/10.3390/ijms24086882
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