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Use of paramagnetic systems to speed-up NMR data acquisition and for structural and dynamic studies.
Solid State Nuclear Magnetic Resonance ( IF 3.2 ) Pub Date : 2019-07-12 , DOI: 10.1016/j.ssnmr.2019.07.002
Vojč Kocman 1 , Giacomo M Di Mauro 2 , Gianluigi Veglia 3 , Ayyalusamy Ramamoorthy 1
Affiliation  

NMR spectroscopy is a powerful experimental technique to study biological systems at the atomic resolution. However, its intrinsic low sensitivity results in long acquisition times that in extreme cases lasts for days (or even weeks) often exceeding the lifetime of the sample under investigation. Different paramagnetic agents have been used in an effort to decrease the spin-lattice (T1) relaxation times of the studied nuclei, which are the main cause for long acquisition times necessary for signal averaging to enhance the signal-to-noise ratio of NMR spectra. Consequently, most of the experimental time is “wasted” in waiting for the magnetization to recover between successive scans. In this review, we discuss how to set up an optimal paramagnetic relaxation enhancement (PRE) system to effectively reduce the T1 relaxation times avoiding significant broadening of NMR signals. Additionally, we describe how PRE-agents can be used to provide structural and dynamic information and can even be used to follow the intermediates of chemical reactions and to speed-up data acquisition. We also describe the unique challenges and benefits associated with the application of PRE to solid-state NMR spectroscopy, explaining how the use of PREs is more complex for membrane mimetic systems as PREs can also be exploited to change the alignment of oriented membrane systems. Functionalization of membrane mimetics, such as bicelles, can provide a controlled region of paramagnetic effect that has the potential, together with the desired alignment, to provide crucial biologically relevant structural information. And finally, we discuss how paramagnetic metals can be utilized to further increase the dynamic nuclear polarization (DNP) effects and how to preserve the enhancements when dissolution DNP is implemented.



中文翻译:

使用顺磁系统加速 NMR 数据采集以及结构和动态研究。

核磁共振波谱是一种以原子分辨率研究生物系统的强大实验技术。然而,其固有的低灵敏度导致采集时间较长,在极端情况下持续数天(甚至数周),常常超过所研究样品的寿命。已使用不同的顺磁剂来减少所研究原子核的自旋晶格 (T 1 ) 弛豫时间,这是导致信号平均以提高 NMR 信噪比所需的较长采集时间的主要原因光谱。因此,大部分实验时间都“浪费”在连续扫描之间等待磁化强度恢复上。在这篇综述中,我们讨论如何建立最佳的顺磁弛豫增强 (PRE) 系统,以有效减少 T 1弛豫时间,避免 NMR 信号显着展宽。此外,我们还描述了如何使用 PRE 代理来提供结构和动态信息,甚至可以用于跟踪化学反应的中间体并加速数据采集。我们还描述了将 PRE 应用于固态核磁共振波谱相关的独特挑战和好处,解释了 PRE 的使用对于膜模拟系统而言如何更加复杂,因为 PRE 也可用于改变定向膜系统的排列。膜模拟物(例如 bicelles)的功能化可以提供顺磁效应的受控区域,该区域有可能与所需的排列一起提供重要的生物学相关结构信息。最后,我们讨论了如何利用顺磁性金属来进一步增强动态核极化 (DNP) 效应,以及如何在实施溶解 DNP 时保持增强效果。

更新日期:2019-07-12
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