The Study Of The Development And Application Of Multivariate Curve Resolution In Capillary Electrophoresis And Process Analysis

There are altogether five part in this article. The development and application of multivariate curve resolution methods in analytical chemistry and Process Analysis Chemometrics(PAC) are reviewed. The theory of MCR as well as other chemometric methods are presented. The application of multivariate curve resolution with alternating least squares (ALS) methods to second order data from CE-DAD is shown. Second order data are easily obtained by setting individual data matrix of CE run one in top of the other. Initial qualitative solutions obtained by evolving factor analysis can be further optimized by simultaneous analysis of multiple electrophoresis run data with alternating least-squares regression. Quantification is achieved by the comparison of the analyte peak areas with that of pure standards. During the ALS regression procedure, the following constraints were applied: Both concentrations and unit pure spectra of the resolved components must be positive; Elution profiles have an unimodal shape; Correspondence exists between common species in the different data matrices; The pure spectrum of each species is the same in all runs where it is present. The above methods were applied for the determination of dinitro-toluene (DNT) isomeric compounds in overlapping peaks from capillary electrophoresis. In the last part, the bleaching of Indigo-Carmine catalyzed by laccase is monitored on-line by UV/Vis spectroscopy. The spectroscopic data of process are analyzed by Evolving Factor Analysis (EFA) and Multivariate Curve Resolution and Alternating Least Square (MCR-ALS), and the reasonable reaction mechanism is deduced.