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Qualitative and quantitative evaluation of Flos Puerariae by using chemical fingerprint in combination with chemometrics method
Journal of Pharmaceutical Analysis ( IF 6.1 ) Pub Date : 2021-09-25 , DOI: 10.1016/j.jpha.2021.09.003
Jing Han 1 , Ke Xu 2 , Quanxiang Yan 3 , Wenwen Sui 4 , Haotian Zhang 1 , Sijie Wang 1 , Zan Zhang 1 , Ziyun Wei 1 , Fei Han 1
Affiliation  

In order to better control the quality of Flos Puerariae (FP), qualitative and quantitative analyses were initially performed by using chemical fingerprint and chemometrics methods in this study. First, the fingerprint of FP was developed by HPLC and the chemical markers were screened out by similarity analysis (SA), hierarchical clustering analysis (HCA), principal components analysis (PCA), and orthogonal partial least squares discriminant analysis (OPLS-DA). Next, the chemical constituents in FP were profiled and identified by HPLC coupled to Fourier transform ion cyclotron resonance mass spectrometry (HPLC-FT-ICR MS). Then, the characteristic constituents in FP were quantitatively analyzed by HPLC. As a result, 31 common peaks were assigned in the fingerprint and 6 of them were considered as qualitative markers. A total of 35 chemical constituents were detected by HPLC-FT-ICR MS and 16 of them were unambiguously identified by comparing retention time, UV absorption wavelength, accurate mass, and MS/MS data with those of reference standards. Subsequently, the contents of glycitin, genistin, tectoridin, glycitein, genistein, and tectorigenin in 13 batches of FP were detected, ranging from 0.4438 to 11.06 mg/g, 0.955 to 1.726 mg/g, 9.81 to 57.22 mg/g, 3.349 to 41.60 mg/g, 0.3576 to 0.989 mg/g, and 2.126 to 9.99 mg/g, respectively. In conclusion, fingerprint analysis in combination with chemometrics methods could discover chemical markers for improving the quality control standard of FP. It is expected that the strategy applied in this study will be valuable for further quality control of other traditional Chinese medicines.



中文翻译:

葛根化学指纹图谱结合化学计量学定性定量评价

为了更好地控制葛根(FP)的质量在本研究中,最初使用化学指纹和化学计量学方法进行了定性和定量分析。首先,采用高效液相色谱法开发FP指纹图谱,通过相似性分析(SA)、层次聚类分析(HCA)、主成分分析(PCA)和正交偏最小二乘判别分析(OPLS-DA)筛选出化学标志物。 . 接下来,通过 HPLC 与傅里叶变换离子回旋共振质谱联用 (HPLC-FT-ICR MS) 对 FP 中的化学成分进行分析和鉴定。然后,通过HPLC对FP中的特征成分进行定量分析。结果,指纹中分配了 31 个共同峰,其中 6 个被认为是定性标记。HPLC-FT-ICR MS 共检测到 35 种化学成分,其中 16 种通过将保留时间、紫外吸收波长、精确质量和 MS/MS 数据与参考标准数据进行比较,明确鉴定出其中的 16 种。随后检测了13批FP中黄豆黄素、染料木素、鸢尾素、黄豆黄素、染料木素、鸢尾黄素的含量,范围为0.4438~11.06mg/g、0.955~1.726mg/g、9.81~57.22mg/g、3.349~分别为 41.60 毫克/克、0.3576 至 0.989 毫克/克和 2.126 至 9.99 毫克/克。总之,指纹分析结合化学计量学方法可以发现化学标志物,以提高FP的质量控制标准。预计本研究中应用的策略将对其他中药的进一步质量控制有价值。

更新日期:2021-09-25
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