Zeng Qing, Zhan Chaoqun, Dong Xi, Chen Jinyong, Chen Zhong, Lin Yanqin
Fujian Provincial Key Laboratory of Plasma and Magnetic Resonance, Department of Electronic Science, State Key Laboratory for Physical Chemistry of Solid Surfaces, Xiamen University, Xiamen 361005, China.
Fujian Provincial Key Laboratory of Plasma and Magnetic Resonance, Department of Electronic Science, State Key Laboratory for Physical Chemistry of Solid Surfaces, Xiamen University, Xiamen 361005, China.
Anal Chim Acta. 2021 May 15;1159:338429. doi: 10.1016/j.aca.2021.338429. Epub 2021 Mar 19.
Scalar coupling plays an important role in the analysis of molecular structure and dynamics. A great number of nuclear magnetic resonance (NMR) selective refocusing experiments, such as 2D G-SERF and PSYCHEDELIC, were developed to extract scalar coupling constants involving a selected proton from overlapped spectra. However, intense axial peaks occur in this type of experiments, leading to possible ambiguity in the assignment of spectral peaks and subsequent accurate measurement of H-H scalar coupling constants. Here, a method based on selective coherence transfer and PSYCHEDELIC module is designed to acquire absorption-mode selective refocusing spectrum while suppressing intense axial peaks. Therefore, unambiguous and accurate measurement of scalar coupling constants involving the selectively excited proton can be achieved. The performances of the proposed method are demonstrated on several samples.
标量耦合在分子结构和动力学分析中起着重要作用。人们开发了大量核磁共振（NMR）选择性重聚焦实验，如二维G-SERF和PSYCHEDELIC，以从重叠光谱中提取涉及选定质子的标量耦合常数。然而，这类实验中会出现强烈的轴向峰，导致光谱峰的归属以及随后H-H标量耦合常数的准确测量可能存在模糊性。在此，设计了一种基于选择性相干转移和PSYCHEDELIC模块的方法，以获取吸收模式选择性重聚焦光谱，同时抑制强烈的轴向峰。因此，可以实现对涉及选择性激发质子的标量耦合常数进行明确且准确的测量。在所提出的方法在几个样品上展示了其性能。
