Leveraging Radical Dynamics to Generate Nuclear Spin Hyperpolarization
Dr. Christos P. Constantinides,1 Assistant Professor of Chemistry (Principal Investigator)
Dr. Frédéric A. Perras,2 Scientist III (co-Principal Investigator)
1University of Michigan-Dearborn, Dearborn, MI 48128
2Ames National Laboratory, Ames, IA 50011
This project seeks to advance Nuclear Magnetic Resonance (NMR) spectroscopy by developing innovative methods for enhancing nuclear spin polarization, a critical factor in improving the sensitivity and resolution of NMR-based imaging and analysis techniques. At the core of this research is the exploration of how molecular motion, electron spin resonance, and light can be simultaneously matched and coupled to boost the transfer of spin order from electron to nuclear spins through the Overhauser dynamic nuclear polarization (DNP) mechanism. The project aims to harness these insights to create new free radical polarizing agents that outperform existing ones that utilize instead the so-called cross effect mechanism.
A key focus of the research is the use of Blatter-type radicals as a platform for carefully controlling molecular motions that are predicted to significantly impact the efficiency of spin polarization. By manipulating the molecular structure and dynamics of these radicals, researchers aim to enhance their ability to transfer spin polarization, a process that could dramatically improve the performance of DNP at high magnetic fields. The development of new narrow-line Overhauser DNP polarizing agents, including modified perchlorotriphenylmethyl (PTM) radicals, will be central to achieving these advancements. Prototypical Overhauser polarizing agents will be evaluated in performance using multi-field DNP and compared against high-level spin dynamics calculations in a feedback loop aimed at understanding and improving efficiency. This research will contribute to a deeper understanding of atomic and molecular systems and the fundamental processes that govern their behavior under strong electromagnetic fields. The results of this project have the potential to transform NMR spectroscopy and imaging technologies by enabling more efficient, precise, and chemically stable polarizing agents for a range of applications.
In addition to the scientific goals, this project is committed to building research capacity at the University of Michigan-Dearborn by enhancing personnel expertise, laboratory infrastructure and fostering collaborative relationships with AMES. An integral part of the project is its focus on inclusivity, with initiatives aimed at increasing the participation of women and underrepresented groups in STEM fields. Outreach programs targeting community colleges, K-12 students, and educators will further promote scientific engagement and create pathways for future leaders in the field.
