Simulations and Novel Catalytic Schemes for Sensitivity Enhancement in Biomedical Applications of Magnetic Resonance by Para-Hydrogen Induced Nuclear Polarization

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There are two major obstacles in the successful application of para-hydrogen enhanced nuclear magnetic resonance techniques in Magnetic Resonance Tomography (MRT), namely the separation of the catalyst from the polarized reaction products and the prolongation and optimization of the life times of the created polarizations. The main goal of the present project is the detailed exploration of these obstacles and the development of new schemes for PHIP experiments which help to overcome them. This goal is based on two pillars. In the experimental part of the work we want to systematically study the application of immobilized homogeneous (supported) respectively heterogeneous catalysts. These catalysts are easily separable from the reactants and promise to solve the separation problem. We will study there polarization and cross-polarization efficiency as a function of the catalyst, support material and magnetic field strength. The hydrogenation of ethene and ethine are used as simple tests and the hydrogenation of drug precursors, as for example model anti-epileptica like Vigabatrin or Valproat are used as real world tests. These experiments are complemented by a systematic study of the recently discovered extended life time of nuclear singlet states, which can exceed the T1–limit by an order of magnitude. In parallel we want to develop a general simulation program for PHIP experiments at arbitrary field and under the presence of anisotropic interactions, as for example on the surface of a catalyst in the theoretical part. This simulation program will be used by us to analyze our own experiments and by the partner project by Bernarding and Bommerich to analyze their data.