title: Complex and mixture of β-cyclodextrin with diazepam characterised by ¹H NMR and atom-atom potential methods.
abstract: Inclusion complex of β-cyclodextrin with diazepam and a physical mixture of these components were studied by solid-state (1)H NMR. The activation barrier for reorientation of the methyl group in the diazepam molecule was found not changed by complex formation with β-cyclodextrin. The complex formation resulted in a decrease in the number of water molecules and affected the relaxation time of β-cyclodextrin. By the atom-atom potential method the most probable configuration of the diazepam molecule inside β-cyclodextrin cavity was proposed.
authors.affiliation: Faculty of Physics, A. Mickiewicz University, Umultowska 85, 61-614 Poznan, Poland.
authors.forename: A
authors.initials: A
authors.lastname: Pajzderska
authors.affiliation: Department of Inorganic and Analytical Chemistry, Poznan University of Medical Sciences, Grunwaldzka 6, 60-780 Poznan, Poland.
authors.forename: J
authors.initials: J
authors.lastname: Mielcarek
authors.affiliation: Faculty of Physics, A. Mickiewicz University, Umultowska 85, 61-614 Poznan, Poland.
authors.forename: J
authors.initials: J
authors.lastname: Wąsicki
mesh_terms: D002236:Carbohydrate Conformation; D003975:Diazepam / Q000737:chemistry*; D008958:Models, Molecular; D066244:Proton Magnetic Resonance Spectroscopy; D013696:Temperature; D047392:beta-Cyclodextrins / Q000737:chemistry*
chemical_list: D047392:beta-Cyclodextrins; C031215:betadex; D003975:Diazepam
keywords: Atom–atom potential method; Cyclodextrin; Diazepam; Inclusion compounds; Nuclear magnetic resonance; Spin–spin relaxation time