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

在该奖项中，由化学系的化学结构，动力学和机制A（CSDM-A）计划资助，杜克大学的Warren Warren教授及其博士后和研究生研究人员正在进行实验，以开发用于核磁共振（NMR）光谱和磁共振成像（MRI）的分子中非常长寿命的核自旋态。 这些实验的结果对科学界具有根本意义，但它们也为MRI的临床应用开辟了新的可能性。 从事该项目的博士后和研究生将接受培训。 Warren教授还参与了对更广泛社区的重大科学推广活动。Warren教授和他的研究小组正在继续努力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，以激发非常长的寿命（分钟！）在生物学上有趣的分子中。 沃伦教授和他的团队将继续多管齐下的努力：（1）利用自然资源丰富（2）对磁共振的密度矩阵理解进行基本的理论扩展;（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）合成宏观量的有希望的候选化合物用于进一步研究;和（5）显著扩展候选分子基序的列表（包括完全避免标记的策略）。 在Warren教授的小组中工作的年轻研究人员将接受实验和理论磁共振光谱学的培训。

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.