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Study on multiple fingerprint profiles control and quantitative analysis of multi-components by single marker method combined with chemometrics based on Yankening tablets
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy ( IF 4.3 ) Pub Date : 2021-02-05 , DOI: 10.1016/j.saa.2021.119554
Xin Wang , Xitong Liu , Jianhui Wang , Gang Wang , Yue Zhang , Lili Lan , Guoxiang Sun

In this study, we explored the quality consistent evaluation method of Yankening Tablets (YKNT) from different manufacturers by using multiple fingerprint profiles, including dual-wavelength ultra-high performance liquid chromatography (UPLC) serial fingerprint and Fourier Transform Infrared Spectroscopy (FT-IR) fingerprint, combined with quantitative analysis of multi-components by single marker (QAMS) method. In the Average method of systematic quantified fingerprint method (AMSQFM), three fingerprint parameters of macro qualitative similarity (Sm-UPLC-FTIR), macro quantitative similarity (Pm-UPLC-FTIR), and the variation coefficient of fingerprint homogeneity (αUPLC-FTIR) were calculated based on the ratio method. The Sm-UPLC-FTIR values of all the samples were greater than 0.80, the αUPLC-FTIR values were less than 0.20, and the Pm-UPLC-FTIR values range from 72.8% to 119.8%. Method validation results showed the established fingerprint method had good precision, solution stability, and method repeatability, all samples could be roughly divided into different levels. The contents of berberine (BBR) and baicalin (BCL) measured by the calibration curve method (CCM) and QAMS method were compared, and t-test results (Pvalue > 0.05) indicated there was no significant difference between the two methods, which showed that QAMS could accurately quantify the markers of the YKNT. The explanatory ability (R2Y) values of BBR and BCL in the PLS model were both greater than 0.94, and the root mean square error of estimation (RMSEE) and root mean square error of prediction (RMSEP) values were both less than 2.5, indicating that the established model was reliable. Hierarchical cluster analysis divided all samples into four categories. This research made a major contribution to the quality consistent evaluation of Traditional Chinese Medicine (TCM) and food.



中文翻译:

基于研克宁片的单标记法结合化学计量学的多指纹谱控制及多组分定量分析研究

在这项研究中,我们探索了使用多个指纹图谱,包括双波长超高效液相色谱(UPLC)序列指纹图谱和傅里叶变换红外光谱(FT-IR),对不同制造商的Yankening Tablets(YKNT)进行质量一致性评估的方法。 )指纹,并通过单标记(QAMS)方法对多组分进行定量分析。在系统量化指纹平均方法(AMSQFM)中,宏观定性相似度(S m-UPLC-FTIR),宏观定量相似度(P m-UPLC-FTIR)的三个指纹参数以及指纹均匀度的变异系数(α超高效液相色谱)是根据比率法计算得出的。该小号M-UPLC-FTIR的所有样本的值大于0.80是越大,α UPLC-FTIR值均小于0.20,和P M-UPLC-FTIR值的范围从72.8%至119.8%。方法验证结果表明,建立的指纹图谱具有较高的精密度,溶液稳定性和方法重复性,所有样品均可以大致分为不同水平。由校准曲线方法(CCM)和QAM上法测定小檗碱(BBR)和黄芩苷(BCL)的内容进行比较,并-检验结果(Pvalue> 0.05)表明两种方法之间没有显着差异,这表明QAMS可以准确定量YKNT的标记。PLS模型中BBR和BCL的解释能力(R 2 Y)值均大于0.94,估计的均方根误差(RMSEE)和预测的均方根误差(RMSEP)均小于2.5 ,表明所建立的模型是可靠的。层次聚类分析将所有样本分为四类。这项研究为中药和食品的质量一致性评估做出了重大贡献。

更新日期:2021-02-19
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