title: Structural characterization of imazalil/beta-cyclodextrin inclusion complex.
abstract: An equimolar inclusion complex between imazalil, a selected fungicide, and beta-cyclodextrin using an aqueous standard solution procedure has been obtained. The complex has been investigated in solution by (1)H and (13)C NMR techniques in combination with computational methods in order to establish a valuable analytical protocol through which to gain insight into the interactions of the inclusion complex in aqueous solution. Intramolecular NMR distance constraints have been detected and used for three-dimensional complex structure determination.
authors.affiliation: Istituto per lo Studio delle Macromolecole, Lab NMR, CNR, Via Bassini 15, 20133 Milano, Italy. roberto.consonni@ismac.cnr.it
authors.forename: Roberto
authors.initials: R
authors.lastname: Consonni
authors.forename: Teresa
authors.initials: T
authors.lastname: Recca
authors.forename: Maria Antonietta
authors.initials: MA
authors.lastname: Dettori
authors.forename: Davide
authors.initials: D
authors.lastname: Fabbri
authors.forename: Giovanna
authors.initials: G
authors.lastname: Delogu
mesh_terms: D003505:Cyclodextrins / Q000737:chemistry*; D005659:Fungicides, Industrial / Q000737:chemistry*; D007093:Imidazoles / Q000737:chemistry*; D009682:Magnetic Resonance Spectroscopy; D015394:Molecular Structure; D012996:Solutions; D014867:Water; D047392:beta-Cyclodextrins
chemical_list: D003505:Cyclodextrins; D005659:Fungicides, Industrial; D007093:Imidazoles; D012996:Solutions; D047392:beta-Cyclodextrins; D014867:Water; C017435:enilconazole; C031215:betadex