基于指纹图谱及化学计量学的分心木质量评价研究

目的：建立分心木药材质量标准，通过指纹图谱结合化学计量学的方法寻找质量差异性标志物，为分心木药材的质量标准与评价体系的建立提供依据。方法：采用HPLC法，选用X-Bridge C₁₈(250 mm×4.6 mm,5μm)色谱柱，以乙腈-0.1%甲酸水为流动相，梯度洗脱，流速0.8 mL/min，检测波长330 nm，建立不同产地分心木药材指纹图谱，对不同产地分心木药材进行相似度评价；采用聚类分析(CA)、主成分分析(PCA)及偏最小二乘-判别分析(PLS-DA)对不同产地分心木进行化学模式识别研究。结果：HPLC指纹图谱共确定了6个共有峰，根据VIP> 1的标准，鞣花酸(4号峰)、落新妇苷(5号峰)以及未指认出的2号峰可作为衡量分心木品质优劣的指标，指纹图谱结合化学计量模式可对不同地区分心木进行质量评价，这三种物质导致了分心木成分含量上的差异，即为分心木的质量差异标志物。结论：通过HPLC指纹图谱与化学计量学结合方法，能够较好地辨识影响分心木质量的标志性成分，可为其质量标准的建立及质量评价与控制提供依据。

Quality Evaluation of Diaphragma juglandis Fructus Based on Fingerprint and Chemometrics

Objective: To establish the quality standard of Diaphragma juglandis Fructus, to find different quality markers by HPLC fingerprint combined with chemometrics analysis method, thus to provide a basis for the establishment of quality standards and evaluation systems for Diaphragma juglandis Fructus. Methods: Diaphragma juglandis Fructus from different origins were taken as study samples, HPLC method was established on Waters XBridge C18(250 mm × 4. 6 mm, 5 µm) chromatographic column, with acetonitrile-0. 1% formic acid solution as the mobile phase for gradient elution. The flow rate was 0. 8 m L/min, detection wavelength was set at 330 nm.Fingerprints of Diaphragma juglandis Fructus in different origins were collected to evaluate the similarity. Cluster analysis(CA), principal component analysis(PCA) and partial least squares-discriminant analysis(PLS-DA) were used to study the chemical pattern recognition of Diaphragma juglandis Fructus from different origins. Results: The fingerprint of Diaphragma juglandis Fructus was established, 6 common peaks were identified. According to the standard of VIP > 1, Ellagic acid(peak 4), astilbin(peak 5) and unidentified peaks 2 could be used as indicators to evaluate the quality of Diaphragma juglandis Fructus. Fingerprint combined with chemometric mode could evaluate the quality of Diaphragma juglandis Fructus from different origins, these three substances led to differences in the content of the composition of the herb, which were markers of the difference in the quality of Diaphragma juglandis Fructus. Conclusion: The iconic components that affect the quality of Diaphragma juglandis Fructus can be preferably identified by HPLC fingerprints and chemometrics. This research provides a reference for quality evaluation and quality control of Diaphragma juglandis Fructus.