Fast time-resolved NMR with non-uniform sampling

IF 7.3 2区 化学 Q2 CHEMISTRY, PHYSICAL
Dariusz Gołowicz , Paweł Kasprzak , Vladislav Orekhov , Krzysztof Kazimierczuk
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引用次数: 42

Abstract

NMR spectroscopy is a versatile tool for studying time-dependent processes: chemical reactions, phase transitions or macromolecular structure changes. However, time-resolved NMR is usually based on the simplest among available techniques – one-dimensional spectra serving as “snapshots” of the studied process. One of the reasons is that multidimensional experiments are very time-expensive due to costly sampling of evolution time space. In this review we summarize efforts to alleviate the problem of limited applicability of multidimensional NMR in time-resolved studies. We focus on techniques based on sparse or non-uniform sampling (NUS), which lead to experimental time reduction by omitting a significant part of the data during measurement and reconstructing it mathematically, adopting certain assumptions about the spectrum. NUS spectra are faster to acquire than conventional ones and thus better suited to the role of “snapshots”, but still suffer from non-stationarity of the signal i.e. amplitude and frequency variations within a dataset. We discuss in detail how these instabilities affect the spectra, and what are the optimal ways of sampling the non-stationary FID signal. Finally, we discuss related areas of NMR where serial experiments are exploited and how they can benefit from the same NUS-based approaches.

Abstract Image

快速时间分辨核磁共振与非均匀采样
核磁共振波谱是研究时间相关过程的通用工具:化学反应,相变或大分子结构变化。然而,时间分辨核磁共振通常是基于最简单的可用技术-一维光谱作为研究过程的“快照”。其中一个原因是,由于对演化时间空间的采样成本很高,因此多维实验非常耗时。在这篇综述中,我们总结了为缓解多维核磁共振在时间分辨研究中有限适用性的问题所做的努力。我们专注于基于稀疏或非均匀采样(NUS)的技术,该技术通过在测量过程中省略重要部分数据并采用对光谱的某些假设进行数学重构,从而减少了实验时间。NUS光谱比传统光谱获取更快,因此更适合“快照”的作用,但仍然受到信号的非平稳性的影响,即数据集中的幅度和频率变化。我们详细讨论了这些不稳定性如何影响光谱,以及对非平稳FID信号进行采样的最佳方法。最后,我们讨论了核磁共振的相关领域,其中利用了一系列实验,以及它们如何从相同的基于nus的方法中受益。
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来源期刊
CiteScore
14.30
自引率
8.20%
发文量
12
审稿时长
62 days
期刊介绍: Progress in Nuclear Magnetic Resonance Spectroscopy publishes review papers describing research related to the theory and application of NMR spectroscopy. This technique is widely applied in chemistry, physics, biochemistry and materials science, and also in many areas of biology and medicine. The journal publishes review articles covering applications in all of these and in related subjects, as well as in-depth treatments of the fundamental theory of and instrumental developments in NMR spectroscopy.
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