Bazzoni Margherita, Régheasse Armand, Caytan Elsa, Felpin François-Xavier, Giraudeau Patrick, Bernard Aurélie, Adams Ralph W, Morris Gareth A, Nilsson Mathias, Dumez Jean-Nicolas
Nantes Université, CNRS, CEISAM UMR6230, Nantes, France.
ISCR - UMR6226, Univ. Rennes, CNRS, Rennes, France.
Chemistry. 2025 Jan 2;31(1):e202403385. doi: 10.1002/chem.202403385. Epub 2024 Nov 13.
Flow NMR is an expanding analytical approach with applications that include in-line analysis for process control and optimisation, and real-time reaction monitoring. The samples monitored by flow NMR are typically mixtures that yield complex 1D H spectra. "Pure shift" NMR is a powerful approach to simplifying H NMR spectra, but its standard implementation is not compatible with continuous flow because of interference between sample motion and the position-dependent spin manipulations that are required in pure shift NMR. Here we show that pure shift NMR spectra can be successfully collected for continuously flowing samples, thanks to an adapted acquisition scheme, robust solvent suppression, and a velocity-compensation strategy. The resulting method is used to collect ultrahigh resolution reaction monitoring data. Pure shift NMR spectra are expected to benefit many applications of flow NMR.
流动核磁共振（Flow NMR）是一种不断发展的分析方法，其应用包括用于过程控制和优化的在线分析以及实时反应监测。通过流动核磁共振监测的样品通常是会产生复杂一维氢谱的混合物。“纯位移”核磁共振是简化氢核磁共振谱的一种强大方法，但其标准实施方式与连续流动不兼容，因为样品运动与纯位移核磁共振所需的位置相关自旋操作之间存在干扰。在此我们表明，由于采用了适配的采集方案、强大的溶剂抑制和速度补偿策略，对于连续流动的样品可以成功采集到纯位移核磁共振谱。所得方法用于收集超高分辨率反应监测数据。预计纯位移核磁共振谱将使流动核磁共振的许多应用受益。
