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

在这项由化学系化学结构、动力学和机制A(CSDM-A)计划资助的奖项中，杜克大学的沃伦·沃伦教授和他的博士后和研究生研究人员正在进行实验，以开发用于核磁共振(NMR)光谱和磁共振成像(MRI)的分子中的非常长寿命的核自旋态。这些实验的结果对科学界来说是基本感兴趣的，但它们也为磁共振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。沃伦教授还参与了对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开发用于磁共振应用的长寿命(单重态)自旋态。他的团队已经开发出脉冲序列，可以激发非常长的寿命(几分钟！)在生物学上有趣的分子中的状态。Warren教授和他的团队将继续多管齐下的工作，目的是：(1)利用自然丰度(13C，15N)物种来确定长寿命状态；(2)对磁共振的密度矩阵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)合成宏观数量的有希望的候选化合物以供进一步研究；(5)显著扩大候选分子基序的列表(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光谱学方面的培训。

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.