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核磁共振在水溶液和固态中有机及生物分子的研究。

O NMR studies of organic and biological molecules in aqueous solution and in the solid state.

机构信息

Department of Chemistry, Queen's University, 90 Bader Lane, Kingston, Ontario K7L 3N6, Canada.

出版信息

Prog Nucl Magn Reson Spectrosc. 2019 Oct-Dec;114-115:135-191. doi: 10.1016/j.pnmrs.2019.06.002. Epub 2019 Jun 13.

DOI:10.1016/j.pnmrs.2019.06.002
PMID:31779879
Abstract

This review describes the latest developments in the field of O NMR spectroscopy of organic and biological molecules both in aqueous solution and in the solid state. In the first part of the review, a general theoretical description of the nuclear quadrupole relaxation process in isotropic liquids is presented at a mathematical level suitable for non-specialists. In addition to the first-order quadrupole interaction, the theory also includes additional relaxation mechanisms such as the second-order quadrupole interaction and its cross correlation with shielding anisotropy. This complete theoretical treatment allows one to assess the transverse relaxation rate (thus the line width) of NMR signals from half-integer quadrupolar nuclei in solution over the entire range of motion. On the basis of this theoretical framework, we discuss general features of quadrupole-central-transition (QCT) NMR, which is a particularly powerful method of studying biomolecules in the slow motion regime. Then we review recent advances in O QCT NMR studies of biological macromolecules in aqueous solution. The second part of the review is concerned with solid-state O NMR studies of organic and biological molecules. As a sequel to the previous review on the same subject [G. Wu, Prog. Nucl. Magn. Reson. Spectrosc. 52 (2008) 118-169], the current review provides a complete coverage of the literature published since 2008 in this area.

摘要

这篇综述描述了有机和生物分子的 O NMR 光谱学在水溶液和固态中的最新发展。在综述的第一部分,以适合非专业人士的数学水平,给出了各向同性液体中核四极矩弛豫过程的一般理论描述。除了一阶四极相互作用外,该理论还包括其他弛豫机制,如二阶四极相互作用及其与屏蔽各向异性的交叉相关。这种完整的理论处理方法可以评估溶液中半整数核四极核 NMR 信号的横向弛豫率(从而线宽)在整个运动范围内。基于这一理论框架,我们讨论了四极-中央跃迁(QCT)NMR 的一般特征,这是研究慢运动生物分子的一种特别强大的方法。然后,我们回顾了近年来在水溶液中生物大分子的 O QCT NMR 研究方面的进展。综述的第二部分涉及有机和生物分子的固态 O NMR 研究。作为同一主题上一篇综述[G. Wu, Prog. Nucl. Magn. Reson. Spectrosc. 52 (2008) 118-169]的续篇,本综述全面涵盖了自 2008 年以来该领域发表的文献。

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