系列核磁共振实验的替代数据处理技术

IF 0.4 4区 化学 Q4 CHEMISTRY, PHYSICAL Concepts in Magnetic Resonance Part A Pub Date : 2018-09-16 DOI:10.1002/cmr.a.21429
Alexandra Shchukina, Mateusz Urbańczyk, Paweł Kasprzak, Krzysztof Kazimierczuk
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引用次数: 11

摘要

核磁共振测量通常以串行方式进行,即在各种条件下重复获取FID信号,无论是受控的(温度或pH值变化)还是不受控的(反应过程)。处理“串行”数据的传统方法是对序列中的每个FID进行傅里叶变换。然而,它有几个问题,特别是需要对整个奈奎斯特网格进行采样,并在每个单独的频谱中达到足够的信噪比。在多维信号的情况下,这个问题变得特别麻烦,因为采样成本很高,而且灵敏度也是一个问题。多年来,已经提出了几种替代FID系列的“联合”处理方法。本文讨论了其中的一些原理:手风琴光谱、多维分解、拉东变换、压缩感知与拉普拉斯变换的结合。据我们所知,这是对系列核磁共振数据处理方法的首次综述。读者提供了MATLAB脚本,允许使用这些算法进行模拟和处理。
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Alternative data processing techniques for serial NMR experiments

NMR measurements are often performed in a serial manner, that is, the acquisition of an FID signal is repeated under various conditions, either controlled (as temperature or pH changes) or uncontrolled (as reaction progress). The traditional approach to process “serial” data is to perform the Fourier transform of each FID in a series. However, it suffers from several problems, in particular, from the need to sample full Nyquist grid and reach a sufficient signal-to-noise ratio in each separate spectrum. The problems become particularly cumbersome in the case of multidimensional signals, where sampling is costly and sensitivity is an issue. Over the years, several methods of alternative, “joint” processing of FID series have been proposed. In this paper, we discuss the principles of some of them: Accordion Spectroscopy, Multidimensional Decomposition, Radon transform, a combination of Compressed Sensing and the Laplace transform. According to our knowledge, this is the first review on serial NMR data processing approaches. The reader is provided with MATLAB scripts allowing to perform simulations and processing using these algorithms.

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来源期刊
CiteScore
0.90
自引率
0.00%
发文量
12
审稿时长
>12 weeks
期刊介绍: Concepts in Magnetic Resonance Part A brings together clinicians, chemists, and physicists involved in the application of magnetic resonance techniques. The journal welcomes contributions predominantly from the fields of magnetic resonance imaging (MRI), nuclear magnetic resonance (NMR), and electron paramagnetic resonance (EPR), but also encourages submissions relating to less common magnetic resonance imaging and analytical methods. Contributors come from academic, governmental, and clinical communities, to disseminate the latest important experimental results from medical, non-medical, and analytical magnetic resonance methods, as well as related computational and theoretical advances. Subject areas include (but are by no means limited to): -Fundamental advances in the understanding of magnetic resonance -Experimental results from magnetic resonance imaging (including MRI and its specialized applications) -Experimental results from magnetic resonance spectroscopy (including NMR, EPR, and their specialized applications) -Computational and theoretical support and prediction for experimental results -Focused reviews providing commentary and discussion on recent results and developments in topical areas of investigation -Reviews of magnetic resonance approaches with a tutorial or educational approach
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