Modelling of the inclusion process of α-, β-, and γ- cyclodextrins with 1-bromoadamantane. A comparative molecular mechanics study accounting for the solvent
✍ Scribed by Petko M. Ivanov; Carlos Jaime
- Book ID
- 107807500
- Publisher
- Elsevier Science
- Year
- 1996
- Tongue
- English
- Weight
- 857 KB
- Volume
- 377
- Category
- Article
- ISSN
- 0022-2860
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📜 SIMILAR VOLUMES
Molecular mechanics calculations were employed to study the inclusion of 2-methyl naphthoate in alpha- and beta-cyclodextrin in vacuo and in the presence of water as a solvent. The driving forces for complexation are dominated by nonbonded van der Waals host:guest interactions in both environments.
## Abstract ^1^H‐NMR spectra of aqueous solutions of fenbufen and two cyclodextrins (α‐ or γ‐cyclodextrin, respectively) mixtures confirm the formation of an inclusion complex if γ‐cyclodextrin is used, whereas in the case of α‐cyclodextrin no inclusion complex was obtained. The stoichiometry of th