title: Novel channel structure of bile acid-guest inclusion complex formed between ursodeoxycholic acid and phenanthrene.
abstract: The crystal structure of inclusion complex between ursodeoxycholic acid (UDCA), and phenanthrene has been determined. UDCA molecules formed hydrogen bond network to provide the channel structure along b axis, and phenanthrene molecules were accommodated in the cavity with a stoichiometry of 1 : 1 molar ratio. The channel structure observed in the UDCA-phenanthrene complex was significantly different from that of inclusion complex previously reported for deoxycholic acid (DCA) and cholic acid (CA). Because of the mesh-like hydrogen bond network, channel framework of UDCA could have less flexibility than that of DCA and CA. The difference of molecular state of phenanthrene was clearly observed in solid-state fluorescence measurement.
authors.affiliation: Graduate School of Pharmaceutical Sciences, Chiba University, Japan.
authors.forename: Toshiro
authors.initials: T
authors.lastname: Fukami
authors.forename: Kentaro
authors.initials: K
authors.lastname: Yamaguchi
authors.forename: Yuichi
authors.initials: Y
authors.lastname: Tozuka
authors.forename: Kunikazu
authors.initials: K
authors.lastname: Moribe
authors.forename: Toshio
authors.initials: T
authors.lastname: Oguchi
authors.forename: Keiji
authors.initials: K
authors.lastname: Yamamoto
mesh_terms: D001647:Bile Acids and Salts / Q000737:chemistry*; D015394:Molecular Structure; D010616:Phenanthrenes / Q000737:chemistry*; D014580:Ursodeoxycholic Acid / Q000737:chemistry*
chemical_list: D001647:Bile Acids and Salts; D010616:Phenanthrenes; C031181:phenanthrene; D014580:Ursodeoxycholic Acid