Resolution of overlapped NMR spectra by two-way multivariate curve resolution alternating least squares with imbedded kinetic fitting

This paper describes the investigation of the hydrolysis of Ally, which is a sulfonylurea (SU) herbicide. The hydrolysis of this compound was observed in situ by nuclear magnetic resonance (NMR) spectroscopy. The data were analyzed using a two-way, multivariate curve resolution (MCR) technique. The resolution of the overlapping aromatic region of the product and the reactant was of special interest. The reactant, product and intermediate spectra were successfully resolved and the rate constants for the degradation of the herbicide under these conditions were simultaneously determined. The results of the chemometric resolution of the overlapped NMR data were compared to the rates found by using a liquid chromatographic method with diode array detection. (C) 2002 Elsevier Science B.V. All rights reserved.