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Updated: Oct 2, 2025

Pure Shift Nuclear Magnetic Resonance: a New Tool for Plant Metabolomics
Published on: July 31, 2021
Fast Acquisition of High-Quality Nuclear Magnetic Resonance Pure Shift Spectroscopy via a Deep Neural Network
Xiaoxu Zheng1, Zhengxian Yang1, Chuang Yang1
1State Key Laboratory of Physical Chemistry of Solid Surfaces, Fujian Provincial Key Laboratory of Plasma and Magnetic Resonance, Department of Electronic Science, Xiamen University, 422 Siming South Road, Siming District, Xiamen, Fujian 361005, People's Republic of China.
Abstract:
Pure shift methods improve the resolution of proton nuclear magnetic resonance spectra at the cost of time. The pure shift yielded by chirp excitation (PSYCHE) method is a promising pure shift method. We propose a method of reconstructing the undersampled PSYCHE spectra based on deep learning to accelerate the spectra acquisition. It only takes 17 s to obtain a high-quality pure shift spectrum. The network can completely remove undersampling artifacts and chunking sidebands and improve the signal-to-noise ratio, obtaining completely clean pure shift spectra. The reconstruction quality is better than the iterative soft thresholding method. In addition, the network can differentiate low-level signals and chunking sidebands with similar intensities in the mixture, remove sidebands, and retain signals, promoting correct mixture analysis.
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