Xu Siyi, Tan Yajie, Xia Yun, Tang Haojun, Li Jian, Tan Ninghua
Department of TCMs Pharmaceuticals, School of Traditional Chinese Pharmacy, China Pharmaceutical University, Nanjing 211198, PR China.
Jinling Pharmaceutical Co., Ltd., Nanjing 210009, PR China.
J Pharm Biomed Anal. 2023 Oct 25;235:115569. doi: 10.1016/j.jpba.2023.115569. Epub 2023 Jul 11.
How to achieve rapid characterization and efficient isolation of chemical components from traditional Chinese medicines (TCMs) is what the researchers have been exploring. Herein, a strategy integrated diagnostic ion filtering (DIF) and selected ion recording (SIR)-based screen was firstly proposed and successfully applied for targeted characterization and guided isolation of the chemical components from Scrophulariae Radix, one of TCMs. After acquiring the Q-TOF-MS/MS untargeted data, 128 compounds were characterized based on DIF, a self-built database and comparison of the related literatures, in which 38 compounds were reported for the first time. Subsequently, the SIR method of UPLC-QqQ-MS/MS was adopted to guide the isolation of potential new compounds. Finally, three new compounds together with one known compound with the same skeleton were isolated, and unambiguously elucidated by NMR and acid hydrolysis. These results indicated that this integrated analytical approach is effective and reliable in targeted characterizing chemical components and isolating new compounds from the extract of Scrophulariae Radix.
如何实现对中药化学成分的快速表征和高效分离一直是研究人员探索的课题。在此，首次提出了一种基于诊断离子过滤（DIF）和选择离子记录（SIR）的筛选策略，并成功应用于对中药玄参中化学成分的靶向表征和导向分离。在获得Q-TOF-MS/MS非靶向数据后，基于DIF、自建数据库以及相关文献比较，对128种化合物进行了表征，其中38种化合物为首次报道。随后，采用UPLC-QqQ-MS/MS的SIR方法导向潜在新化合物的分离。最终，分离得到了3个新化合物以及1个具有相同骨架的已知化合物，并通过核磁共振和酸水解对其进行了明确的结构解析。这些结果表明，这种综合分析方法在靶向表征玄参提取物中的化学成分以及分离新化合物方面是有效且可靠的。
