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通过 100 kHz 及更高频率的快速魔角旋转 NMR 探测非共价相互作用。

Probing Noncovalent Interactions by Fast Magic-Angle Spinning NMR at 100 kHz and More.

机构信息

Institute of Technical and Macromolecular Chemistry, RWTH Aachen University, Worringerweg 2, 52074, Aachen, Germany.

Max Planck Institute for Chemical Energy Conversion, Stiftstr. 34-36, 45470, Mülheim/Ruhr, Germany.

出版信息

Chemphyschem. 2024 Oct 16;25(20):e202400537. doi: 10.1002/cphc.202400537. Epub 2024 Aug 12.

Abstract

Noncovalent interactions are the basis for a large number of chemical and biological molecular-recognition processes, such as those occurring in supramolecular chemistry, catalysis, solid-state reactions in mechanochemistry, protein folding, protein-nucleic acid binding, and biomolecular phase separation processes. In this perspective article, some recent developments in probing noncovalent interactions by proton-detected solid-state Nuclear Magnetic Resonance (NMR) spectroscopy at Magic-Angle Spinning (MAS) frequencies of 100 kHz and more are reviewed. The development of MAS rotors with decreasing outer diameters, combined with the development of superconducting magnets operating at high static magnetic-field strengths up to 28.2 T (1200 MHz proton Larmor frequency) improves resolution and sensitivity in proton-detected solid-state NMR, which is the fundamental requirement for shedding light on noncovalent interactions in solids. The examples reported in this article range from protein-nucleic acid binding in large ATP-fueled motor proteins to a hydrogen-π interaction in a calixarene-lanthanide complex.

摘要

非共价相互作用是非共价相互作用是大量化学和生物分子识别过程的基础,如超分子化学、催化、机械化学中的固态反应、蛋白质折叠、蛋白质-核酸结合以及生物分子相分离过程中发生的那些过程。在这篇观点文章中,综述了在 MAS 频率为 100 kHz 及更高时通过质子检测固态 NMR 光谱探测非共价相互作用的一些最新进展。外径减小的 MAS 转子的发展,结合在高达 28.2 T(质子拉莫尔频率为 1200 MHz)的高静态磁场强度下运行的超导磁体的发展,提高了质子检测固态 NMR 的分辨率和灵敏度,这是非共价相互作用在固体中阐明的基本要求。本文报道的实例范围从大型 ATP 驱动的马达蛋白中的蛋白质-核酸结合到杯芳烃-镧系元素配合物中的氢-π 相互作用。

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