基于质谱技术的甘草饮片及其炮制品化学成分系统分析和差异成分分析

目的：对甘草饮片及其炮制品中所含的成分进行系统性分析，寻找并鉴别出3组甘草饮片的潜在质量标志物。方法：运用超高效液相色谱-四极杆-飞行时间质谱法结合对照品质谱信息、相对分子质量、串联质谱信息、质谱数据库，以及相关参考文献分析鉴定甘草饮片及其炮制品成分；利用主成分分析（PCA）和正交偏最小二乘法-判别分析（OPLS-DA）寻找差异性化合物，并根据相对分子质量、串联质谱信息和相关文献鉴定差异化合物。利用单因素方差分析从差异性化合物中寻找潜在的质量标志物。结果：从甘草饮片及其炮制品中初步推测了60个化合物，主要为黄酮类和皂苷类化合物。根据PCA、OPLS-DA和单因素方差分析寻找到3个潜在质量标志物。结论：甘草饮片经炮制后成分含量会发生变化，可能会改变甘草的药性，潜在质量标志物可以为甘草饮片及其炮制品的质量控制、药效研究和临床使用提供参考。

Chemical Profiling and Differential Components of Glycyrrhizae Radix et Rhizoma and Its Processed Products

Objective To systematically analyze the chemical components contained in Glycyrrhizae Radix et Rhizoma and its processed products, and identify the potential quality marker (Q-marker) of the three Glycyrrhizae Radix et Rhizoma products.Methods Ultra-high performance liquid chromatography-quadrupole-time of flight-mass spectrometry (UPLC-Q-TOF-MS^E), in combination with reference substance spectrum information, relative molecular mass, ion fragments, mass spectrometry database, and related reference data, was employed to identify the chemical components in Glycyrrhizae Radix et Rhizoma and its processed products. The principal component analysis (PCA) and orthogonal partial least squares-discriminant analysis (OPLS-DA) were performed to identify the differential components, which were identified based on relative molecular mass, ion fragments, and related literature data. The one-way analysis of variance (ANOVA) was carried out to screen out the potential Q-markers from the differential components.Results Sixty compounds were preliminarily identified in Glycyrrhizae Radix et Rhizoma and its processed products, mainly including flavonoids and saponins. PCA, OPLS-DA, and ANOVA identified 3 potential Q-markers.Conclusion The content of chemical components in Glycyrrhizae Radix et Rhizoma will change after processing, which may alter the nature (warm or cold) of this herb. The potential Q-markers can provide a basis for the quality control, efficacy research, and clinical use of Glycyrrhizae Radix et Rhizoma and its processed products.