Optimisation of spatially-encoded diffusion-ordered NMR spectroscopy for the analysis of mixtures,Magnetic Resonance in Chemistry

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Optimisation of spatially-encoded diffusion-ordered NMR spectroscopy for the analysis of mixtures
Magnetic Resonance in Chemistry ( IF 1.9 ) Pub Date : 2021-07-16 , DOI: 10.1002/mrc.5194
Corentin Jacquemmoz ₁ , Rituraj Mishra ₁ , Ludmilla Guduff ₂ , Carine van Heijenoort ₂ , Jean-Nicolas Dumez ₁

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Diffusion-ordered NMR spectroscopy (DOSY NMR) is a widely used method for the analysis of mixtures. It can be used to separate the spectra of a mixture's components and to analyse interactions. The classic implementation of DOSY experiments, based on an incrementation of the diffusion-encoding gradient area, requires several minutes or more to collect a 2D data set. Spatially-encoded (SPEN) DOSY makes it possible to collect a complete data set in less than 1 s, by spatial parallelisation of the effective gradient area. While several short descriptions of SPEN DOSY experiments have been reported, a thorough characterisation of its features and its practical use is missing, and this hinders the use of the method. Here, we present the unusual principles and implementation of the SPEN DOSY experiment, an understanding of which is useful to make optimal use of the method. The encoding and acquisition steps are described, and the parameter relations that govern the setup of SPEN DOSY experiments are discussed. The influence of key parameters, including on sensitivity, is illustrated experimentally on mixtures of small molecules. This study should be useful for the setup of SPEN DOSY experiments, which are particularly useful for systems that evolve in time.

中文翻译：

用于混合物分析的空间编码扩散有序核磁共振光谱的优化

扩散有序 NMR 光谱 (DOSY NMR) 是一种广泛用于混合物分析的方法。它可用于分离混合物成分的光谱并分析相互作用。DOSY 实验的经典实现基于扩散编码梯度区域的增量，需要几分钟或更长时间来收集 2D 数据集。通过有效梯度区域的空间并行化，空间编码 (SPEN) DOSY 可以在不到 1 秒的时间内收集完整的数据集。虽然已经报道了 SPEN DOSY 实验的几个简短描述，但缺少对其特征及其实际用途的全面表征，这阻碍了该方法的使用。在这里，我们介绍了 SPEN DOSY 实验的不同寻常的原理和实现，了解哪些有助于优化使用该方法。描述了编码和采集步骤，并讨论了控制 SPEN DOSY 实验设置的参数关系。关键参数的影响，包括灵敏度，通过小分子混合物的实验说明。这项研究应该对 SPEN DOSY 实验的设置很有用，这对于随时间演变的系统特别有用。

更新日期：2021-07-16

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