Reconeixement Molecular. Enantiodiferenciació. Derivats Tipus Pirkle i Ciclodextrines

Molecular recognition is studied by means of enantiodifferentation. The study is centered on two classes on two compounds: Pirkle-like derivates and cyclodextrins. Each family is representative of one of the most common mechanism of chiral recognition: association and inclusion, respectively. The complexes giving rise to enantiodifferentation will be studied using advanced NMR techniques (to obtain experimental data) and molecular mechanics and dynamics calculations (to get a proposed geometry for the complex to be compared with previously obtained experimental data). As a final goal of the project, a model for the mechanism of enantiodifferentiation will be presented based on all obtained experimental and theoretical data.