A robust t1 noise suppression method in NMR spectroscopy

IF 1.9 3区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Magnetic Resonance in Chemistry Pub Date : 2023-05-04 DOI:10.1002/mrc.5355
Siyuan Wei, Yiming Ding, Kan Song, Zao Liu
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Abstract

Artefacts in high-resolution multidimensional nuclear magnetic resonance (NMR) spectra, known as t1 noise, can significantly downgrade the spectral quality and remain a significant noise source, limiting the sensitivity of most two-dimensional NMR experiments. In addition to highly sensitive hardware and experimental designs, data post-processing is a relatively simple and cost-effective method for suppressing t1 noise. In this study, histograms and quantiles were used to obtain a robust estimation of noise level. We constructed a weighted matrix to suppress the t1 noise. The weighted matrix was calculated from the logistic functions, which were adaptively computed from the spectrum. The proposed method is robust and effective in both simulations and actual experiments. Further, it can maintain the quantitative relationship of the spectrogram and is suitable for various complex peak types.

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核磁共振波谱中一种稳健的t1噪声抑制方法
高分辨率多维核磁共振(NMR)光谱中的事实,即t1噪声,会显著降低光谱质量,并仍然是一个重要的噪声源,限制了大多数二维NMR实验的灵敏度。除了高度敏感的硬件和实验设计外,数据后处理是一种相对简单且具有成本效益的抑制t1噪声的方法。在这项研究中,使用直方图和分位数来获得噪声水平的稳健估计。我们构造了一个加权矩阵来抑制t1噪声。加权矩阵是根据逻辑函数计算的,逻辑函数是根据频谱自适应计算的。该方法在仿真和实际实验中都是稳健有效的。此外,它可以保持光谱图的定量关系,适用于各种复杂的峰类型。
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来源期刊
CiteScore
4.70
自引率
10.00%
发文量
99
审稿时长
1 months
期刊介绍: MRC is devoted to the rapid publication of papers which are concerned with the development of magnetic resonance techniques, or in which the application of such techniques plays a pivotal part. Contributions from scientists working in all areas of NMR, ESR and NQR are invited, and papers describing applications in all branches of chemistry, structural biology and materials chemistry are published. The journal is of particular interest not only to scientists working in academic research, but also those working in commercial organisations who need to keep up-to-date with the latest practical applications of magnetic resonance techniques.
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