Desenvolupament i aplicació de mètodes quimiomètrics a sistemes cinètics

The development of modern chemometric methods applied to data treatment in kinetic systems is planned with a double objective. On the one hand, multivariate calibration methodologies (Partial Least-Squares, Neural Networks, Factor Analysis) will be applied to the quantitation of isomeric mixtures, especially enantiomers. In reference to this, latter point, reactions with chiral reagents will be considered, as well as the effect of the addition of compounds which form inclusion stereo-selective complexes (host-guest complexes), modifying, therefore, the reaction rate of analytes with other reagents. On the other hand, we will deep in the basis of chemometric methods application. We intend to study: more suitable criteria and algorithms for the variables selection, the adaptation of experimental design models, the extraction of the intermediate especies spectra from kinetic curves through factor analysis and the application of multivariate modelling techniques to the overall description of a process