一种用于无轴向峰二维PSYCHEDELIC NMR谱的简单数据后处理方法。
A simple data post-processing method for axial peaks free 2D PSYCHEDELIC NMR spectra.
作者信息
Dong Xi, Zeng Qing, Zhan Chaoqun, Chen Jinyong, Yang Chuang, Chen Zhong, Lin Yanqin
机构信息
Department of Electronic Science, Fujian Provincial Key Laboratory of Plasma and Magnetic Resonance, State Key Laboratory for Physical Chemistry of Solid Surfaces, Xiamen University, Xiamen 361005, China.
Department of Electronic Science, Fujian Provincial Key Laboratory of Plasma and Magnetic Resonance, State Key Laboratory for Physical Chemistry of Solid Surfaces, Xiamen University, Xiamen 361005, China; Shenzhen Research Institute of Xiamen University, Shenzhen 518057, China.
出版信息
J Magn Reson. 2021 Apr;325:106938. doi: 10.1016/j.jmr.2021.106938. Epub 2021 Feb 14.
Homonuclear scalar coupling plays an important role in the elucidation of molecular structure and dynamics. However, complex multiplets due to H-H scalar coupling splittings complicate the assignment of peaks in overcrowded spectral regions. Although many methods focusing on disentangling couplings have been proposed in recent years, some defects like intense axial peaks and dispersive components still exist. Herein, a simple data post-processing method based on the interleaved acquisition mode PSYCHEDELIC (Pure Shift Yielded by CHirp Excitation to DELiver Individual Couplings) is designed to acquire absorption-mode 2D J spectrum while eradicating axial peaks. This approach provides a high resolution and pure absorptive spectrum, permitting unambiguous and accurate measurement of scalar coupling constants involving a given proton.
同核标量耦合在阐明分子结构和动力学方面起着重要作用。然而，由于H-H标量耦合分裂产生的复杂多重峰使过度拥挤光谱区域中峰的归属变得复杂。尽管近年来已经提出了许多专注于解开耦合的方法，但仍存在一些缺陷，如强烈的轴向峰和色散成分。在此，设计了一种基于交错采集模式PSYCHEDELIC（通过线性调频激励产生的纯位移以传递单个耦合）的简单数据后处理方法，以获取吸收模式二维J谱，同时消除轴向峰。这种方法提供了高分辨率和纯吸收光谱，允许对涉及给定质子的标量耦合常数进行明确和准确的测量。
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