超快魔角旋转下（≥100kHz）用于生物固体样品质子检测的核磁共振方法

固体核磁共振作为一种强大的波谱技术，可以在原子层面无损地研究半固态、固态样品中分子的结构和运动信息。几十年来，固体核磁共振技术取得了巨大的进步，这其中包括魔角旋转的发明。这些重要的进展让固体核磁在自然科学的各个学科都有非常广泛的应用。为了提高固体核磁的灵敏度和分辨率，人们一直在追求更高的魔角旋转速度。目前魔角转速超过100kHz的固体核磁探头已经商业化，在这么高的转速下，就算对于全质子的样品，高分辨的氢检测固体核磁实验也变得直接可行。然而当魔角旋转速度提升到一个前所未有的高度时，新的世界向我们打开，值得我们去探索，比如在超快转速下的自旋动力学，多少程度的1H-1H偶极相互作用被魔角旋转所平均，在低转速下开发的实验方法如何更有效地应用在新的转速条件下等。在本研究项目中，我们将尝试回答以上问题，开发完善用于蛋白质三维结构解析的氢检测实验策略，同时以氢作为新的探针探究分子的动力学。

Solid-state nuclear magnetic resonance (ssNMR) has emerged as an extremely powerful spectroscopic technique for non-destructively studying the structures and the dynamics of molecules in solid or semi-solid state at atomic resolution. Numerous advances in instrumentation and methodology over decades, in particular the invention of the magic-angle spinning (MAS), have expanded the applications of ssNMR for topics ranging from material sciences to structural biology. To improve the sensitivity and resolution, higher and higher MAS rates were achieved. Now MAS rates exceeding 100 kHz are attainable for commercially available probes, which makes the proton-detected experiments can be conducted directly with high resolution even for fully-protonated substrates. However, this is a new regime we just touch on, there are lots of unknowns worth exploring, like the spin dynamics under the ultrafast MAS condition, the extent of reduction for 1H-1H dipolar couplings and how the methodologies developed for low MAS rates can be tailored for new applications. In this project, we will study these key scientific concerns mentioned above, and establish the proton-detected ssNMR strategies for solving 3D protein structure and extracting dynamic information.