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通过时间分辨二维核磁共振对复杂反应混合物进行分析。

Analysis of complex reacting mixtures by time-resolved 2D NMR.

作者信息

Dass Rupashree, Koźmiński Wiktor, Kazimierczuk Krzysztof

机构信息

Faculty of Chemistry, Biological and Chemical Research Centre, University of Warsaw , Żwirki i Wigury 101, 02-089 Warsaw, Poland.

出版信息

Anal Chem. 2015 Jan 20;87(2):1337-43. doi: 10.1021/ac504114h. Epub 2014 Dec 26.

Abstract

Nuclear magnetic resonance (NMR) spectroscopy is a versatile tool for chemical analysis. Besides the most straightforward application to study a stable sample containing a single compound, NMR has been also used for the analysis of mixtures. In particular, the analyzed mixtures can undergo changes caused by chemical reactions. The multidimensional NMR techniques are especially effective in a case of samples containing many components. Unfortunately, they are usually too lengthy to be applied in time-resolved experiments performed to study mentioned changes in a series of spectral "snapshots." Recently, time-resolved nonuniform sampling (NUS) has been proposed as a straightforward solution to the problem. In this paper, we discuss the features of time-resolved NUS and give practical recommendations regarding the temporal resolution and use of the time pseudodimension to resolve the components. The theoretical considerations are exemplified by the application in challenging cases of fermenting samples of wheat flour and milk.

摘要

核磁共振(NMR)光谱学是一种用于化学分析的多功能工具。除了最直接的应用——研究含有单一化合物的稳定样品外,NMR还被用于混合物的分析。特别是,被分析的混合物可能会经历由化学反应引起的变化。多维NMR技术在含有许多成分的样品中特别有效。不幸的是,它们通常过于耗时,无法应用于为研究一系列光谱“快照”中的上述变化而进行的时间分辨实验。最近,时间分辨非均匀采样(NUS)已被提出作为解决该问题的直接方法。在本文中,我们讨论了时间分辨NUS的特点,并就时间分辨率以及使用时间伪维度来解析成分给出了实际建议。理论考量通过在具有挑战性的小麦粉和牛奶发酵样品案例中的应用得到了例证。

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