Dynamics of eugenol included in ß-cyclodextrin by nuclear magnetic resonance and molecular simulations.
Magn Reson Chem
; 62(7): 505-511, 2024 Jul.
Article
em En
| MEDLINE
| ID: mdl-38369602
ABSTRACT
Eugenol-ß-cyclodextrin complex has been widely used because of the enhanced stability and conservation of the properties of eugenol. Applications in food and health sciences have been shown previously, which makes this complex an excellent model to understand and develop methodologies for the analysis and prediction of physical properties. In this work, the dynamics of eugenol incorporated into ß-cyclodextrin are presented, using NMR relaxation rates, and the predictive capabilities of molecular dynamics simulations are discussed. Results show a hindered rotation of eugenol around the principal inertial axes when located inside ß-cyclodextrin. Moreover, a translational movement of the whole complex is demonstrated.
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Coleções:
01-internacional
Base de dados:
MEDLINE
Idioma:
En
Ano de publicação:
2024
Tipo de documento:
Article