NMR spectroscopy and MRI provide unique possibilities for the elucidation of molecular structures and dynamics in chemistry, biology, and medicine. At the same time, they are considered insensitive methods due to intrinsically low spin polarization under normal conditions. This can be dramatically improved by developing front-line spin hyperpolarization techniques such as parahydrogen-induced polarization (PHIP), which is affordable as compared to other techniques. However, it is based on the activation of parahydrogen by toxic metal catalysts. In this project, we develop NMR methodologies based on the use of metal-free catalysts in PHIP. We perform in-depth joint computational-experimental research to find the best metal-free catalysts and tune the most important spin-spin interactions to achieve strong hyperpolarization. This is then used in important biomolecular and materials science applications.

2024

2028