title: Combined NMR-crystallographic and modelling investigation of the inclusion of molsidomine into alpha-, beta- and gamma-cyclodextrins.
abstract: A NMR spectroscopic and crystallographic investigation supported by molecular modelling methods has been employed to describe the inclusion properties of molsidomine into the three underivatized alpha-, beta- and gamma-cyclodextrins, aimed to point out the factors affecting the complexation selectivity and stabilization. The NMR results were compared and validated by the analysis of crystallographic data as retrieved from the Cambridge Structural Database and molecular modelling studies.
authors.affiliation: Dipartimento di Chimica e Chimica Industriale, Università degli Studi di Pisa, Italy.
authors.forename: Gloria
authors.initials: G
authors.lastname: Uccello-Barretta
authors.forename: Federica
authors.initials: F
authors.lastname: Balzano
authors.forename: Donatella
authors.initials: D
authors.lastname: Paolino
authors.forename: Rebecca
authors.initials: R
authors.lastname: Ciaccio
authors.forename: Salvatore
authors.initials: S
authors.lastname: Guccione
mesh_terms: D018360:Crystallography, X-Ray; D016208:Databases, Factual; D009682:Magnetic Resonance Spectroscopy; D008958:Models, Molecular; D015394:Molecular Structure; D008981:Molsidomine / Q000737:chemistry*; D047391:alpha-Cyclodextrins / Q000737:chemistry*; D047392:beta-Cyclodextrins / Q000737:chemistry*; D047408:gamma-Cyclodextrins / Q000737:chemistry*
chemical_list: D047391:alpha-Cyclodextrins; D047392:beta-Cyclodextrins; D047408:gamma-Cyclodextrins; D008981:Molsidomine