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利用矩阵束进行 NMR 弛豫测量中的数据处理。

Data processing in NMR relaxometry using the matrix pencil.

机构信息

Department of Chemistry, 69 Chemistry Building, University of California, Davis, CA 95616, USA.

Department of Chemical and Biological Engineering, 306 Cobleigh Hall, Montana State University, Bozeman, MT 59717, USA.

出版信息

J Magn Reson. 2020 Apr;313:106704. doi: 10.1016/j.jmr.2020.106704. Epub 2020 Feb 29.

Abstract

The matrix pencil method (MPM) is explored for stable, reproducible data processing in nuclear magnetic resonance (NMR) relaxometry. Data from one-dimensional and two-dimensional relaxometry experiments designed to measure transverse relaxation T, longitudinal relaxation T, diffusion coefficient D values, and their correlations in a standard olive oil/water mixture serve as a platform available to any NMR spectroscopist to compare the performance of the MPM to the benchmark inverse Laplace transform (ILT). The data from two practical examples, including the drying of a solvent polymer system and the enzymatic digestion of polysialic acid, were also explored with the MPM and ILT. In the cases considered here, the MPM appears to outperform the ILT in terms of resolution and stability in the determination of fundamental constants for complex materials and mixtures.

摘要

矩阵束方法(MPM)被探索用于磁共振(NMR)弛豫测量中的稳定、可重复的数据处理。一维和二维弛豫实验的数据用于测量标准橄榄油/水混合物中的横向弛豫 T、纵向弛豫 T、扩散系数 D 值及其相关性,为任何 NMR 光谱学家提供了一个平台,可用于比较 MPM 和基准逆拉普拉斯变换(ILT)的性能。MPM 和 ILT 还用于两个实际示例,包括溶剂聚合物系统的干燥和唾液酸多糖的酶解。在考虑的情况下,MPM 在确定复杂材料和混合物的基本常数时,在分辨率和稳定性方面似乎优于 ILT。

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