title: 1H NMR study of inclusion compounds of phenylurea derivatives in beta-cyclodextrin.
abstract: Proton nuclear magnetic resonance spectroscopy ((1)H NMR), which has become an important tool for the study "in situ" of beta-cyclodextrin (beta-CD) complexes, was used to study and structurally characterize the inclusion complexes formed between beta-CD and isoproturon, fenuron, monuron and diuron. The high variation of the chemical shifts from the proton located inside the cavity (H-3, H-5 and H-6) coupled with the non variation of the one located outer sphere of the beta-CD (H-1, H-2 and H-4) provided clear evidence of the inclusion phenomena. Two-dimensional rotating frame Overhauser effect spectroscopy (ROESY) experiments were carried out to further support the proposed inclusion mode.
authors.affiliation: Systèmes chimiques complexes, (GOAE), UMR 6171, Université de Marseille 3, Avenue escadrille Normandie Niemen, 13397 Marseille Cedex 20, France. nathalie.dupuy@univ-u.3mrs.fr
authors.forename: N
authors.initials: N
authors.lastname: Dupuy
authors.forename: D
authors.initials: D
authors.lastname: Barbry
authors.forename: M
authors.initials: M
authors.lastname: Bria
authors.forename: S
authors.initials: S
authors.lastname: Marquis
authors.forename: L
authors.initials: L
authors.lastname: Vrielynck
authors.forename: J
authors.initials: J
authors.lastname: Kister
mesh_terms: D004237:Diuron / Q000737:chemistry* / Q000378:metabolism; D009682:Magnetic Resonance Spectroscopy; D008782:Methylurea Compounds / Q000737:chemistry* / Q000378:metabolism; D015394:Molecular Structure; D010671:Phenylurea Compounds / Q000737:chemistry* / Q000378:metabolism; D047392:beta-Cyclodextrins / Q000737:chemistry* / Q000378:metabolism
chemical_list: D008782:Methylurea Compounds; D010671:Phenylurea Compounds; D047392:beta-Cyclodextrins; C028904:isoproturon; D004237:Diuron; C100088:monuron; C010727:fenuron