Electron decoupling and DNP method development

A detailed understanding of the theoretical basis of DNP is required to interpret DNP data and improve DNP methodology. We characterized the deleterious effects of adding DNP paramagnetic agents on NMR and introduced electron decoupling to improve DNP spectra. Together, theoretical DNP treatments and NMR spin physics yield a complete understanding of the inter-nuclear interactions that ultimately deliver extremely high-precision 3D biomolecular structures, as we demonstrated on peptides. The details of how electron spins interact with incoming microwave power are an important aspect of understanding DNP experiments and can best be understood by adopting a rigorous approach to determine the propagation and intensity of microwaves together with theoretical spin-physics calculation packages.