Dynamic Nuclear Polarization: Integrating fundamentals and new applications

核磁共振和核磁共振正在见证一场革命，这是由动态核极化(DNP)的出现推动的，动态核极化通过将更大的电子自旋的极化转移到核自旋，有望将它们的灵敏度提高几个数量级。这项提议提出了一项独特的合作努力，由深入参与这些令人兴奋的开发的领先磁共振实验室进行合作，他们拥有核磁共振和电子顺磁共振(EPR)基础自旋物理、仪器开发和材料研究以及生物分子和临床前核磁共振和核磁共振研究方面的专业知识。目前DIP提议的总体目标是研究在三种DNP环境(液体、固体和溶解)中发生的自旋动力学，从而澄清DNP效应的各种机制。然后，使用这一新的理解来获得产生最大核磁共振/核磁共振信号增强的最佳转移条件，利用这些发展可能在化学、生物和医学方面打开的新机会，并最终利用所有这些集体知识来创造下一代DNP偏振器。具体任务包括：(1)建立所需的量子力学框架，以了解在各种DNP情景中发挥作用的电子-核和核-核相互作用的不同方面。这将在很大程度上依赖于系统的实验，以隔离DNP所依赖的各种参数的影响。(2)制定新的实验方案，以优化DNP开辟的信息前沿。(3)利用1号点和2号点的理论和实验知识，开发新一代原位和非原位DNP仪器。(4)反馈上述第#1至第3点中获得的新见解，用于DNP理论以及面向固态高分辨率化学和生物研究的一系列新实验应用的开发。我们相信，这一计划承诺塑造所有与DNP相关的研究及其应用。

NMR and MRI are witnessing a revolution, being driven by the advent of dynamic nuclear polarization (DNP), which promises to increase their sensitivity by several orders of magnitude by transferring the much larger polarization of electron spins to nuclear spins. This proposal put forward a unique collaborative effort of leading magnetic resonance laboratories deeply involved in these exciting developments with expertise in NMR and EPR (electron paramagnetic resonance) basic spin physics, instrumental developments and materials research to biomolecular and preclinical NMR and MRI investigations. The global aims of the present DIP proposal are to investigate the spin dynamics occurring in the three DNP settings (liquid, solids and dissolution) thereby clarifying the various mechanisms underlying the DNP effect. Then, to use this new understanding to obtain the optimum transfer conditions yielding maximum NMR/MRI signal enhancements, exploiting the new opportunities that these developments can open in Chemistry, Biology and Medicine, and finally utilize all this collective knowledge to create on the next generation of DNP polarizers. Specific tasks include:(1) Develop the quantum mechanical framework needed to understand the different aspects of the electron-nuclear and nuclear-nuclear interactions that come to play in the various DNP scenarios. This will rely heavily on systematic experiments isolating the effect of the various parameters DNP depends on. (2) Develop new experimental protocols for optimizing the information frontiers opened up by DNP. (3) Exploit the theoretical and experimental know-how derived from points #1 and #2, to develop the next generation of both in situ and ex situ DNP instruments. (4) Feed back the new insight gained in points #1-through-#3 above, both into the theory of DNP as well as into the development of a new series of experimental applications geared at both solid-state high resolution chemical and biological studies. We believe that this program carries the promise to shape all DNP-related research and its applications.