New Experimental and Theoretical Frameworks for the Study of Nuclear Spin State Lifetimes

With support from the Chemical Measurement and Imaging Program in the Division of Chemistry, Professor Alexej Jerschow and his group at New York University are investigating the magnetic properties of molecules, and their capacity for storing information. These magnetic properties are at the heart of nuclear magnetic resonance (NMR), a technique enabling medical imaging, the study of molecular structure and dynamics, and the characterization of materials.

The work will involve both experimental and computational aspects, seeking improved understanding of the underlying structures and processes. Students participating in this work will be broadly educated in experiment and theory related to analytical techniques, nuclear magnetic resonance, and quantum mechanics. Through collaboration with the Pratt Institute, the team will participate in projects using spectroscopic techniques for art conservation, work that is expected to engage a diverse group of students from non-traditional pathways.

In this project, the Jerschow group is studying nuclear spin singlet states with potential for storing magnetization and information over periods much exceeding usual spin-lattice relaxation times. These properties may lead to new classes of contrast agents for magnetic resonance imaging, and enable measurements of slow dynamic processes. The project seeks a thorough understanding of the nature of nuclear spin singlet state relaxation, thereby potentially unlocking hitherto untapped potential.

At the conclusion of this study, the Jerschow group aims to have established a combined experimental, theoretical, and computational basis for the study of nuclear spin singlet lifetime limiting factors including situations of relevance for physiological conditions. The work will include NMR spectroscopy methodology as well as computational efforts.

Secondary goals include the establishment of new measurement paradigms (e.g. symmetrization/desymmetrization), the characterization of obscure relaxation mechanisms such as scalar relaxation of the second kind, and spin-rotation, and the generation of novel approaches to predict NMR properties from molecular dynamics simulations, which could facilitate the development of new structural and dynamics probes.

This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.