title: 1H-NMR study of the inclusion processes for alpha- and gamma-cyclodextrin with fenbufen.
abstract: 1H-NMR spectra of aqueous solutions of fenbufen and two cyclodextrins (alpha- or gamma-cyclodextrin, respectively) mixtures confirm the formation of an inclusion complex if gamma-cyclodextrin is used, whereas in the case of alpha-cyclodextrin no inclusion complex was obtained. The stoichiometry of the fenbufen/gamma-cyclodextrin complex is of the [2:1] type. The geometry of this supramolecular architecture was established through MM+ molecular mechanics calculations.
authors.affiliation: National R&D Institute for Isotopic and Molecular Technologies, P. O. Box 700, R-400293 Cluj-Napoca 5, Romania.
authors.forename: I
authors.initials: I
authors.lastname: Bratu
authors.forename: J M
authors.initials: JM
authors.lastname: Gavira-Vallejo
authors.forename: A
authors.initials: A
authors.lastname: Hernanz
mesh_terms: D000894:Anti-Inflammatory Agents, Non-Steroidal; D002236:Carbohydrate Conformation; D002240:Carbohydrate Sequence; D006859:Hydrogen; D009682:Magnetic Resonance Spectroscopy / Q000379:methods; D008968:Molecular Conformation; D008969:Molecular Sequence Data; D010654:Phenylbutyrates; D047391:alpha-Cyclodextrins / Q000737:chemistry*; D047408:gamma-Cyclodextrins / Q000737:chemistry*
chemical_list: D000894:Anti-Inflammatory Agents, Non-Steroidal; D010654:Phenylbutyrates; D047391:alpha-Cyclodextrins; D047408:gamma-Cyclodextrins; D006859:Hydrogen; C010725:fenbufen; C032613:alpha-cyclodextrin