Polarization Transfer (PT) Mechanism (DS4)

Our objective is to develop the theoretical and methodical basis of DNP at high magnetic fields for biological macromolecules. Whereas these effects are well understood and described for DNP at lower magnetic field values and for small molecules, this is not the case for the high magnetic fields used in today's NMR spectrometers and for macromolecular systems. Then, parallel to the technical construction of the hardware, theoretical investigations have to be undertaken to identify the most promising methods for optimized polarization transfer and new classes of paramagnetic spin labels have to be synthesized. This task serves together with the experimental setups developed under task DS2 and DS3 as the foundation for the applications in task DS5.

This task comprises substasks associated with the experimental investigation of the polarization transfer mechanism and efficiencies at high magnetic field strengths for biomolecular samples and substaks related to the theoretical description of the transfer efficiency and its optimization by newly designed excitation schemes.

designed by Petrus