Dynamics of eugenol included in β-cyclodextrin by nuclear magnetic resonance and molecular simulations
© 2024 The Authors. Magnetic Resonance in Chemistry published by John Wiley & Sons Ltd.
| Publié dans: | Magnetic resonance in chemistry : MRC. - 1985. - 62(2024), 7 vom: 19. Juli, Seite 505-511 |
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| Format: | Article en ligne |
| Langue: | English |
| Publié: |
2024
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| Accès à la collection: | Magnetic resonance in chemistry : MRC |
| Sujets: | Journal Article NMR eugenol inclusion complex molecular dynamic relaxation rate β‐cyclodextrin |
| Résumé: | © 2024 The Authors. Magnetic Resonance in Chemistry published by John Wiley & Sons Ltd. Eugenol-β-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 β-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 β-cyclodextrin. Moreover, a translational movement of the whole complex is demonstrated |
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| Description: | Date Revised 29.05.2024 published: Print-Electronic Citation Status PubMed-not-MEDLINE |
| ISSN: | 1097-458X |
| DOI: | 10.1002/mrc.5439 |