Comparison of three officinal species of Callicarpa based on abiochemome profiling strategy with UHPLC-IT-MS and chemometricsanalysis
Comparison of three officinal species of Callicarpa based on abiochemome profiling strategy with UHPLC-IT-MS and chemometricsanalysis
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DOI：
10.1016/j.jpba.2017.07.054
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发表时间：
2017
影响因子：
3.4
通讯作者：
Gui-Zhong Xin
中科院分区：
文献类型：
--
作者：
Meng-Lu Chen;Wen-Qi Chang;Jian-Liang Zhou;Ying-Hao Yin;Wen-Rui Xia;Jian-Qun Liu;Li-Fang Liu;Gui-Zhong Xin
Traditional Chinese medicine (TCM) materials with closely related species are frequently fungible in clini-cal use. Therefore, holistic comparison of the composition in bioactive compounds is essential to evaluatewhether they are equivalent in efficacy. Taking three officinal species of Callicarpa as a case, we proposedand validated a standardized strategy for the discrimination of closely related TCM materials, whichfocused on the extraction, profiling and multivariate statistical analysis of their biochemome. Firstly, serialliquid-liquid extractions were utilized to prepare different batches of Callicarpa biochemome, and thepreparation yields were utilized for the normalization of sampling quantity prior to UHPLC-IT-MS anal-ysis. Secondly, 34 compounds, including 19 phenylethanoid glycosides, 10 flavonoids and 5 terpenoids,were identified based on an untargeted UHPLC-IT-MS method. Thirdly, method validation of linearity,precision and stability showed that the UHPLC-IT-MS system was qualified (R2> 0.995, RSD < 15%) for sub-sequent biochemome profiling. After PCA and PLS-DA analysis, 30 marker compounds were screened anddemonstrated to be of good predictability using genetic algorithm optimized support vector machines.Finally, a heatmap visualization was employed for clarifying the distribution of marker compounds, whichcould be helpful to determine whether the three Callicarpa species are, in fact, equivalent substitutes.This study provides a standardized biochemome profiling strategy for systemic comparison analysisof closely related TCM materials, which shows promising perspectives in tracking the supply chain ofpharmaceutical suppliers.
