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

IF 2.6 4区 生物学 Q3 BIOCHEMISTRY & MOLECULAR BIOLOGY
ChemBioChem Pub Date : 2025-04-22 DOI:10.1002/cbic.202401012
Mengjie Qiu, Wen Zhu, Xiaoxu Zheng, Zhong Chen, Yanqin Lin
{"title":"NMR Pure Shift Spectroscopy and Its Potential Applications in the Pharmaceutical Industry.","authors":"Mengjie Qiu, Wen Zhu, Xiaoxu Zheng, Zhong Chen, Yanqin Lin","doi":"10.1002/cbic.202401012","DOIUrl":null,"url":null,"abstract":"<p><p><sup>1</sup>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.</p>","PeriodicalId":140,"journal":{"name":"ChemBioChem","volume":" ","pages":"e2401012"},"PeriodicalIF":2.6000,"publicationDate":"2025-04-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"ChemBioChem","FirstCategoryId":"99","ListUrlMain":"https://doi.org/10.1002/cbic.202401012","RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"BIOCHEMISTRY & MOLECULAR BIOLOGY","Score":null,"Total":0}
引用次数: 0

Abstract

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 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.

核磁共振纯位移光谱及其在制药工业中的潜在应用。
1H核磁共振(NMR)波谱在制药工业中发挥着重要作用,但对于复杂物质,由于化学位移范围窄,且标量耦合导致信号分裂,光谱分析具有挑战性。纯移位技术可以抑制标量耦合,提高光谱分辨率。本文综述了纯移位技术,包括主要的同核宽带解耦实验和利用深度学习获得最优纯移位谱的方法。并结合相关科学实例,探讨了纯移位技术在制药行业的潜在应用方向。本文通过总结近年来的研究进展和应用机会,旨在促进纯位移核磁共振技术在制药行业的发展和实际应用。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
求助全文
约1分钟内获得全文 求助全文
来源期刊
ChemBioChem
ChemBioChem 生物-生化与分子生物学
CiteScore
6.10
自引率
3.10%
发文量
407
审稿时长
1 months
期刊介绍: ChemBioChem (Impact Factor 2018: 2.641) publishes important breakthroughs across all areas at the interface of chemistry and biology, including the fields of chemical biology, bioorganic chemistry, bioinorganic chemistry, synthetic biology, biocatalysis, bionanotechnology, and biomaterials. It is published on behalf of Chemistry Europe, an association of 16 European chemical societies, and supported by the Asian Chemical Editorial Society (ACES).
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
copy
已复制链接
快去分享给好友吧!
我知道了
右上角分享
点击右上角分享
0
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术官方微信