title: Study of the hydrolysis of a sulfonylurea herbicide using liquid chromatography with diode array detection and mass spectrometry by three-way multivariate curve resolution-alternating least squares.
abstract: This research is focused on the development of a novel, automated chemometric method for obtaining relevant chemical information from time-course measurements of an evolving chemical system. This paper describes an investigation of the hydrolysis of Ally, which is a sulfonylurea herbicide. The hydrolysis of this compound is observed at different pHs and temperatures by reversed-phase liquid chromatography using a diode array detector. The data are analyzed using a three-way, multivariate curve resolution technique. Of special interest was the application of a closure constraint in the kinetic dimension followed by the determination of the rate constants for each step of the pathway by using a differential equation solver and nonlinear fitting of the data.
authors.affiliation: Department of Chemistry, Virginia Commonwealth University, Richmond 23284-2006, USA.
authors.forename: E
authors.initials: E
authors.lastname: Bezemer
authors.forename: S
authors.initials: S
authors.lastname: Rutan
mesh_terms: D001190:Arylsulfonates / Q000032:analysis*; D002853:Chromatography, Liquid / Q000379:methods*; D006540:Herbicides / Q000032:analysis*; D006868:Hydrolysis; D007700:Kinetics; D015394:Molecular Structure; D015999:Multivariate Analysis; D021241:Spectrometry, Mass, Electrospray Ionization / Q000379:methods; D013453:Sulfonylurea Compounds / Q000032:analysis*
chemical_list: D001190:Arylsulfonates; D006540:Herbicides; D013453:Sulfonylurea Compounds; C050296:metsulfuron methyl