TY - JOUR

T1 - Exploring the Conformational Equilibrium of Mefenamic Acid Released from Silica Aerogels via NMR Analysis

AU - Khodov, I.A.

AU - Sobornova, V.V.

AU - Муллоярова, Валерия Вячеславовна

AU - Belov, K.V.

AU - Dyshin, A.A.

AU - Batista de Carvalho Luís, A.E.

AU - Толстой, Петр Михайлович

AU - Киселев, М.Г.

PY - 2023/4/7

Y1 - 2023/4/7

N2 - 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 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.

AB - 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 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.

KW - Kinetics

KW - Magnetic Resonance Imaging

KW - Magnetic Resonance Spectroscopy/methods

KW - Mefenamic Acid

KW - Silicon Dioxide

KW - T1–T2 RRCOSY

KW - CO2 sorption

KW - NOESY

KW - 13C NMR

KW - aerogel

KW - MAS NMR

KW - mefenamic acid

UR - https://www.mendeley.com/catalogue/68a34414-2da2-3a35-a14a-0bed3023688c/

U2 - 10.3390/ijms24086882

DO - 10.3390/ijms24086882

M3 - Article

C2 - 37108046

VL - 24

JO - International Journal of Molecular Sciences

JF - International Journal of Molecular Sciences

SN - 1422-0067

IS - 8

M1 - 6882

ER -