基于指纹图谱结合化学模式识别对狗脊药材的质量评价

目的 采用指纹图谱结合聚类分析（hierarchical clustering analysis,HCA）、主成分分析（principal component analysis,PCA）和偏最小二乘法-判别分析（partial least squares discriminant analysis,PLS-DA）等进行化学模式识别，对狗脊药材指纹图谱数据进行分析，筛选特征性指标成分并以此建立狗脊有效成分的定量分析，为狗脊质量控制提供科学依据。方法 采用Agilent Eclipse XDB-C18柱（250 mm×4.6mm,5.0μm），以甲醇-1%醋酸水溶液为流动相进行梯度洗脱，体积流量为1.0 mL/min，柱温为30℃，检测波长为280 nm,HPLC法建立9个产地16批样品狗脊的指纹图谱，运用相似度分析、HCA、PCA和PLS-DA等化学模式识别技术筛选出不同产地狗脊化学成分的特征成分作为狗脊有效成分，并定量分析。结果 16批狗脊HPLC指纹图谱标定10个共有峰，相似度在0.695～0.954；通过HCA、PCA和PLS-DA较好的区分各产地狗脊，综合分析筛选5-羟甲基糠醛、...

Evaluation of quality markers of Cibotii Rhizoma based on fingerprint and chemical pattern recognition

Objective To analyze the fingerprint data of Gouji (Cibotii Rhizoma, CR) using chemical pattern recognition technology, screen the characteristic index components and conduct quantitative analysis, hoping to provide scientific basis for the quality control of CR. Methods HPLC was used to establish fingerprints of 16 batches of CR samples from nine producing areas. Chemical pattern recognition techniques such as similarity analysis, cluster analysis, principal component analysis (PCA) and partial least squares discriminant analysis (PLS-DA) were used to screen out the characteristic chemical components of CR among different regions as quality markers, and the quantitative analysis was carried out. Results A total of ten common peaks were identified from HPLC fingerprints of 16 batches of CR samples, and the similarity was between 0.695-0.954. A variety of chemical pattern recognition techniques were used to distinguish CR from different producing areas. After comprehensively analysis, four components including 5-HMF, protocatechuic acid, protocatechualdehyde and astragalin were screened out as Q-Markers of CR, and the mass fractions were 0.022 8%-1.339 4%, 0.006 2%-0.713 3%, 0.020 0%-0.234 5%, 0.011 2%-0.106 5%, respectively. The results of characteristic fingerprint and content determination showed that the quality of CR from Guangxi was superior. Conclusion The fingerprint and content determination method established in this study are stable, reliable and reproducible, which can provide a reference for the comprehensive evaluation of the quality of CR.