Quantum and statistical mechanics, characterization, and applications of long-lived nuclear spin states in magnetic resonance

杜克大学化学结构、动力学和机制A （CSDM-A）项目资助杜克大学的Warren Warren教授和他的博士后和研究生研究人员正在进行实验，以开发分子中非常长寿命的核自旋态，用于核磁共振（NMR）光谱和磁共振成像（MRI）。这些实验的结果是科学界的根本兴趣，但它们也为MRI的临床应用开辟了新的可能性。参与该项目的博士后和研究生将接受培训。沃伦教授还参与了面向更广泛社区的重大科学推广活动。沃伦和他的研究小组正在继续致力于开发用于磁共振应用的长寿命（单线态）自旋态。他的团队已经开发出脉冲序列，以激发生物学上有趣的分子的长寿命（几分钟！）状态。Warren教授和他的团队将继续多管齐下的努力：(1)利用自然丰度（13C, 15N）物种来确定长寿状态；(2)对磁共振密度矩阵的认识进行基础理论拓展；(3)在这些系统中进行详细的量子力学和分子动力学模拟；(4)合成宏观数量的有前景的候选化合物供进一步研究；(5)显著扩大候选分子基序列表（包括完全避免标记的策略）。在沃伦教授小组工作的年轻研究人员将接受实验和理论磁共振波谱的培训。

In this award, funded by the Chemical Structure, Dynamics and Mechanisms A (CSDM-A) Program of the Division of Chemistry, Professor Warren Warren of Duke University and his post-doctoral and graduate student researchers are conducting experiments to develop very long-lived nuclear spin states in molecules for use in nuclear magnetic resonance (NMR) spectroscopy and magnetic resonance imaging (MRI). The results from these experiments are of fundamental interest to the scientific community, but they also open up new possibilities for use in clinical applications of MRI. Postdoctoral and graduate students working on this project will receive training. Prof. Warren also participates in significant scientific outreach to the broader community.Prof. Warren and his research group are continuing work to develop long-lived (singlet) spin states for use in magnetic resonance applications. His group has developed pulse sequences to excite very long lived (minutes!) states in biologically interesting molecules. Prof. Warren and his group will continue a multi-pronged effort at: (1) using natural abundance (13C, 15N) species to identify long-lived states; (2) conduct basic theoretical extensions of the density matrix understanding of magnetic resonance; (3) conduct detailed quantum mechanical and molecular dynamics simulations in these systems; (4) synthesize macroscopic quantities of promising candidate compounds for further study; and (5) significantly expand the list of candidate molecular motifs (including strategies which completely avoid labeling). Young researchers working in the group of Prof. Warren will receive training in both experimental and theoretical magnetic resonance spectroscopy.