基于“外观性状-化学成分”关联模型的山楂饮片质量控制关键指标辨识研究

Study on identification of key quality control indicators of Crataegi Fructus slices based on “appearance characteristics-chemical composition” correlation model

摘要

目的: 基于19批山楂样品(SZ1~SZ19),通过整合外观性状(直径、厚度、总质量)与内在质量指标(水分、浸出物、总灰分、HPLC特征图谱),构建“外观性状-化学成分”关联模型,辨识山楂质量控制关键指标。方法: 测定各项指标后,采用主成分分析(PCA)、正交偏最小二乘判别分析(OPLS-DA)、因子分析(FA)和IQR变异性分析进行数据挖掘,通过多方法结果交叉验证确定关键指标。结果: PCA分析和OPLS-DA分析筛选出水分、绿原酸、隐绿原酸等7个指标;FA提取出隐绿原酸、金丝桃苷和异槲皮苷;IQR分析获得11个变异性指标。综合发现隐绿原酸和金丝桃苷在3种分析方法中均被识别为核心指标。结论: 建立山楂“外观性状-化学成分”关联模型,确定隐绿原酸和金丝桃苷为关键质量控制指标,为中药饮片质量标准化提供了新的研究方法。

Abstract

Objective: To construct the correlation model of “appearance characteristics-chemical components” of Crataegi Fructus by integrating appearance characteristics (diameter, thickness and total mass) and internal quality indicators (water content, extract, total ash and HPLC characteristic spectrum) to identify the key quality control indicators of Crataegi Fructus. Methods: After measuring the indicators, principal component analysis (PCA), orthogonal partial least squares discriminant analysis (OPLS-DA), factor analysis (FA) and IQR variability analysis were used for data mining, and key indicators were determined by cross-validation of multiple methods. Results: PCA and OPLS-DA identified seven indicators, including water content, chlorogenic acid, cryptochlorogenic acid, et al. FA extracted cryptochlorogenic acid, hyperoside, and isoquercitrin. IQR analysis yielded 11 variability indicators. Overall, cryptochlorogenic acid and hyperoside were identified as core indicators across all three analytical methods. Conclusion: The correlation model of “appearance characteristics-chemical composition” of Crataegi Fructus was established, and the key quality control indexes were determined as cryptochlorogenic acid and hyperoside, which provided a new research method for the standardization of quality of Chinese herbal slices.

关键词

山楂 / 关键指标 / 质量评价

Key words

Crataegi Fructus / key indicators / quality evaluation