NMR Pure Shift Spectroscopy and Its Potential Applications in the Pharmaceutical Industry.

Journal: Chembiochem : a European journal of chemical biology
Published Date: Jun 3, 2025

Abstract

H nuclear magnetic resonance (NMR) spectroscopy plays an important role in the pharmaceutical industry, but for complex substances, spectral analysis is challenging due to the narrow chemical shift range and signal splitting caused by scalar coupling. Pure shift techniques can suppress scalar coupling, improving spectral resolution. This article provides a review of pure shift techniques, including the main homonuclear broadband decoupling experiments and the methods for obtaining optimal pure shift spectra with the assistance of deep learning. Furthermore, it explores the potential application directions of pure shift techniques in the pharmaceutical industry, supported by relevant scientific examples. By summarizing recent advances and application opportunities, this article aims to promote the development and practical implementation of pure shift NMR techniques in the pharmaceutical industry.

Authors

  • Mengjie Qiu
    Fujian Provincial Key Laboratory of Plasma and Magnetic Resonance, Department of Electronic Science, The MOE Key Laboratory of Spectrochemical Analysis & Instrumentation, Xiamen University, Xiamen, 361005, China.
  • Wen Zhu
  • Xiaoxu Zheng
    Fujian Provincial Key Laboratory of Plasma and Magnetic Resonance, Department of Electronic Science, The MOE Key Laboratory of Spectrochemical Analysis & Instrumentation, Xiamen University, Xiamen, 361005, China.
  • Zhong Chen
    Institute of HIV/AIDS The First Hospital of Changsha, Changsha, China.
  • Yanqin Lin
    Fujian Provincial Key Laboratory of Plasma and Magnetic Resonance, Department of Electronic Science, The MOE Key Laboratory of Spectrochemical Analysis & Instrumentation, Xiamen University, Xiamen, 361005, China.

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