Pharmaceutical Informatics Institute, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, China.
Anal Chim Acta. 2012 Jul 6;733:38-47. doi: 10.1016/j.aca.2012.04.025. Epub 2012 Apr 26.
The paper presents a novel strategy to identify analytical markers of traditional Chinese medicine preparation (TCMP) rapidly via direct analysis in real time mass spectrometry (DART-MS). A commonly used TCMP, Danshen injection, was employed as a model. The optimal analysis conditions were achieved by measuring the contribution of various experimental parameters to the mass spectra. Salvianolic acids and saccharides were simultaneously determined within a single 1-min DART-MS run. Furthermore, spectra of Danshen injections supplied by five manufacturers were processed with principal component analysis (PCA). Obvious clustering was observed in the PCA score plot, and candidate markers were recognized from the contribution plots of PCA. The suitability of potential markers was then confirmed by contrasting with the results of traditional analysis methods. Using this strategy, fructose, glucose, sucrose, protocatechuic aldehyde and salvianolic acid A were rapidly identified as the markers of Danshen injections. The combination of DART-MS with PCA provides a reliable approach to the identification of analytical markers for quality control of TCMP.
本文提出了一种通过实时直接分析质谱（DART-MS）快速鉴定中药制剂（TCMP）分析标志物的新策略。以常用的 TCMP 丹参注射液为模型。通过测量各种实验参数对质谱的贡献，得出了最佳分析条件。在单次 1 分钟的 DART-MS 运行中同时测定了丹参酸和糖。此外，用主成分分析（PCA）处理了五家制造商提供的丹参注射液的光谱。PCA 得分图中观察到明显的聚类，从 PCA 的贡献图中识别出候选标志物。然后通过与传统分析方法的结果进行对比来确认潜在标志物的适用性。使用该策略，迅速鉴定出果糖、葡萄糖、蔗糖、原儿茶醛和丹参酸 A 为丹参注射液的标志物。DART-MS 与 PCA 的结合为 TCMP 质量控制分析标志物的鉴定提供了一种可靠的方法。
