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Title: | Exploring the Conformational Equilibrium of Mefenamic Acid Released from Silica Aerogels via NMR Analysis | Authors: | Khodov, Ilya Sobornova, Valentina Mulloyarova, Valeriya Belov, Konstantin Dyshin, Alexey Carvalho, Luís Batista de Tolstoy, Peter Kiselev, Michael |
Keywords: | aerogel; mefenamic acid; CO2 sorption; MAS NMR; 13C NMR; T1–T2 RRCOSY; NOESY | Issue Date: | 7-Apr-2023 | Publisher: | MDPI | Project: | grant of the Russian Science Foundation (project no. 22-13-00257) | Serial title, monograph or event: | International Journal of Molecular Sciences | Volume: | 24 | Issue: | 8 | Abstract: | 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 13C NMR kinetic studies were conducted to identify the presence of mefenamic acid and measure the kinetic rates of CO2 sorption. Additionally, a high-pressure T1-T2 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. | URI: | https://hdl.handle.net/10316/113431 | ISSN: | 1422-0067 | DOI: | 10.3390/ijms24086882 | Rights: | openAccess |
Appears in Collections: | I&D QFM-UC - Artigos em Revistas Internacionais FCTUC Química - Artigos em Revistas Internacionais |
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