Desenvolupament i aplicació de mètodes quimiomètricos a les noves tecnologies d'anàlisi de processos

The aim of this project can be split into two, apparently different, sub-objectives but with coincident application field, pharmaceutical control analysis, and both needed of a similar complex, multidimensional, chemometrics data treatment of the recorded dynamic analytical signal. Concisely, we project to extend the accumulated experience of our research group in process analytical control by near infrared (NIR) spectroscopy, to the continuos and real time control of different physico-chemical parameters (homogeneity of a solid blend; moisture, etc..) by using a CCD camera, operating in the NIR spectral range, in the framework of the guidelines for Process Analytical Technologies (PAT), recently defined by the Federal Drug Administration (FDA). We also planed to study the kinetic differential resolution of the enantiomeric mixture of pharmacological active compound with an hydroxil or a carboxil group bonded to a quiral carbon. The key point of this determination will be the use of immobilised enzymes with an already demonstrated activity in organic solvents, which catalyze the esterification (or saponification) reaction in an enantioselective way. Further to the standard image chemometric procedures, we plane to apply tridimensional chemometric tools, making emphasis in the development and interpretation of those system when the trilinearity condition isn't strictly followed