Institute for Control of Traditional Chinese Medicine and Ethnic Medicine, National Institutes for Food and Drug Control, Beijing 102629, China.
State Key Laboratory of Drug Regulatory Science, National Institutes for Food and Drug Control, Beijing 102629, China.
Molecules. 2024 Aug 11;29(16):3807. doi: 10.3390/molecules29163807.
(PC), (AC), and (LC), as traditional Chinese medicines, are all dried root bark, presented in a roll, light and brittle, easy to break, have a fragrant scent, etc. Due to their similar appearances, it is tough to distinguish them, and they are often confused and adulterated in markets and clinical applications. To realize the identification and quality control of three herbs, in this paper, Ultra Performance Liquid Chromatography-Quadrupole Time of Flight Mass Spectrometry Expression (UHPLC-QTOF-MS) combined with chemometric analysis was used to explore the different chemical compositions. LC, AC, and PC were analyzed by UHPLC-QTOF-MS, and the quantized MS data combined with Principal Component Analysis (PCA) and Partial Least Squares Discriminant Analysis (PLS-DA) were used to explore the different chemical compositions with Variable Importance Projection (VIP) > 1.0. Further, the different chemical compositions were identified according to the chemical standard substances, related literature, and databases. AC, PC, and LC can be obviously distinguished in PCA and PLS-DA analysis with the VIP of 2661 ions > 1.0. We preliminarily identified 17 differential chemical constituents in AC, PC, and LC with significant differences ( 0.01) and VIP > 1.0; for example, Lycium B and Periploside H2 are LC and PC's proprietary ingredients, respectively, and 2-Hydroxy-4-methoxybenzaldehyde, Periplocoside C, and 3,5-Di-O-caffeoylquinic acid are the shared components of the three herbs. UHPLC-QTOF-MS combined with chemometric analysis is conducive to exploring the differential chemical compositions of three herbs. Moreover, the proprietary ingredients, Lycium B (LC) and Periploside H2 (PC), are beneficial in strengthening the quality control of AC, PC, and LC. In addition, limits on the content of shared components can be set to enhance the quality control of LC, PC, and AC.
（PC）、（AC）和（LC）作为传统中药，均为干燥的根皮，呈卷状，质轻易碎，有芳香味等。由于它们的外观相似，很难区分，因此在市场和临床应用中经常混淆和掺假。为了实现三种草药的鉴定和质量控制，本文采用超高效液相色谱-四极杆飞行时间质谱联用（UHPLC-QTOF-MS）结合化学计量学分析方法，探讨了不同的化学成分。用 UHPLC-QTOF-MS 对 LC、AC 和 PC 进行分析，将量化的 MS 数据与主成分分析（PCA）和偏最小二乘判别分析（PLS-DA）相结合，利用变量重要性投影（VIP）>1.0 来探讨不同的化学成分。进一步根据化学标准物质、相关文献和数据库，对不同的化学成分进行鉴定。PCA 和 PLS-DA 分析表明，AC、PC 和 LC 在 VIP 为 2661 离子>1.0 时可以明显区分。我们初步鉴定了 AC、PC 和 LC 中 17 种具有显著差异（ 0.01）和 VIP>1.0 的差异化学成分；例如，Lycium B 和 Periploside H2 分别是 LC 和 PC 的特有成分，2-羟基-4-甲氧基苯甲醛、Periplocoside C 和 3,5-二-O-咖啡酰奎宁酸是三种草药的共有成分。UHPLC-QTOF-MS 结合化学计量学分析有助于探讨三种草药的差异化学成分。此外，专有成分 Lycium B（LC）和 Periploside H2（PC）有利于加强 AC、PC 和 LC 的质量控制。此外，可以设定共有成分的含量限制，以提高 LC、PC 和 AC 的质量控制。
