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

• DOI: 10.1002/cbic.202401012
• Publication Date: 2025-04-23T04:38:42Z
• Authors: Mengjie Qiu; Wen Zhu; Xiaoxu Zheng; Zhong Chen; Yanqin Lin

1H 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 paper 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 paper aims to promote the development and practical implementation of pure shift NMR techniques in pharmaceutical industry.