基于UPLC指纹图谱结合化学计量学的经典名方苓桂术甘汤质量评价研究OACSTPCD
Study on Quality Evaluation of Classical Formula-Linggui Zhugan Decoction Based on UPLC Fingerprint Chromatogram Combined with Chemometric Analysis
目的 建立指纹图谱与化学计量学相结合的经典名方苓桂术甘汤的质量评价方法.方法 使用SHIMADZU Shim-Pack GIST C18色谱柱(100 mm×2.1 mm,2.0 μm),流动相为乙腈-0.1%磷酸水溶液,梯度洗脱,柱温30℃,流速0.2 mL/min,检测波长为266 nm(前30 min)、235 nm(后36 min).使用《中药色谱指纹图谱相似度评价系统》(2012.130723版)建立苓桂术甘汤超高效液相色谱指纹图谱,确定共有峰并进行相似度评价;基于指纹图谱共有峰峰面积测定结果,采用聚类分析、主成分分析和正交偏最小二乘-判别分析(OPLS-DA)对不同批次苓桂术甘汤进行质量评价.结果 共确认苓桂术甘汤指纹图谱24个共有峰,使用对照品指认14个共有峰,10批苓桂术甘汤样品相似度均大于0.950.10批苓桂术甘汤可聚为两类,主成分1~4是影响其质量评价的主要因子,OPLS-DA共确定6个差异标志物.结论 本研究建立的指纹图谱方法简便可靠,重复性良好,指纹图谱结合化学计量学分析可明确不同产地药材制成的苓桂术甘汤之间的差异,为其内在质量评价提供参考.
Objective To establish the UPLC fingerprint chromatogram combined with chemometric analysis for the quality evaluation of classical formula Linggui Zhugan Decoction.Methods SHIMADZU Shim-Pack GIST C18 column(100 mm×2.1 mm,2.0 μm)was used with acetonitrile-0.1%phosphoric acid aqueous solution as mobile phase,gradient elution;flow rate was 0.2 mL/min;the detection wavelength was 266 nm for the first 30 minutes and 235 nm for the last 36 minutes;the column temperature was 30℃.The UPLC fingerprint of Linggui Zhugan Decoction was established by Similarity Evaluation System for Chromatographic Fingerprint of TCM(2012.130723 version),and the common peak was determined and the similarity evaluation was carried out.Based on the peak area determination results of the common peak of the fingerprint,the quality of different batches of Linggui Zhugan Decoction was evaluated by chemometrics such as clustering analysis and principal component analysis.Results A total of 24 common peaks were confirmed and 14 components were identified by using reference substances.The similarity of 10 batches of Linggui Zhugan Decoction samples was greater than 0.950,which could be divided into two categories by chemometrics,and the principal component 1-4 were the main factors affecting its quality evaluation.OPLS-DA identified 6 differential markers.Conclusion The fingerprint research method established in the study is simple,reliable and reproducible.Through the method of fingerprint combined with chemometrics analysis,the differences between Linggui Zhugan Decoction from different origins of medicinal materials are identified,which provides a reference for the internal quality evaluation of Linggui Zhugan Decoction.
刘芳洁;栾真杰;何纯莲;王希霖;左培
湖南师范大学,湖南 长沙 410081||嘉实(湖南)医药科技有限公司,湖南 长沙 410081嘉实(湖南)医药科技有限公司,湖南 长沙 410081湖南师范大学,湖南 长沙 410081湖南新领航检测技术有限公司,湖南 长沙 410081
中医学
苓桂术甘汤超高效液相色谱法指纹图谱化学计量学聚类分析主成分分析正交偏最小二乘-判别分析
Linggui Zhugan DecoctionUPLCfingerprintchemometricsclustering analysisprincipal component analysisorthogonal partial least square discriminant analysis
《中国中医药信息杂志》 2024 (001)
128-134 / 7
湖南省自然科学基金面上项目(2022JJ30410)
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