Constants d'acoplament escalars, dipolars i coeficients de difusió per RMN. Nous mètodes i aplicació a molècules en abundància natural i biomolècules marcades isotòpicament

We would like to develop new high-resolution liquid-state NMR methodolgies and apply them to resolve structural and dynamic aspects of both small and medium-size molecules as well as large biomolecules. Our main objective is to optimize already existing NMR pulse sequences and concepts and also to design new approaches to improve sensitivity, resolution, automation and performance by using new NMR restraints. Our interest will be focused on the methodology and the precision achieved for the measurament of heteronuclear coupling constants and the study of translation properties of molecules in solution by using self-diffusion coefficients. Finally, we would like to apply our experience in the implementation of new multidimensional NMR experiments specifically designed for 15N and/or 13C-labelled pepetides and proteins. In addition to conventional structure and dynamic analysis procedures, we will work in the development of new anisotropic media in order to introduce weak molecular alignment. The measurement of residual dipolar couplings and the impact to use them in structure calculation and refinement of supramolecular host-guest complexes and biomolecules will be studied and evaluated.