目的 采用超高效液相色谱-四级杆飞行时间质谱(UPLC/QTOF-MSE)结合UNIFITM软件鉴定连钱草中化学成分,并采用化学计量学方法评价不同产地连钱草的质量。方法 通过UPLC/QTOF-MSE获取不同产地22批连钱草总离子流图,利用UNIFITM软件对广西产地连钱草中化学成分进行鉴定,Centroided模式 MSE数据导入MarkerLynx XS软件进行峰匹配、峰对齐和峰面积归一化处理,导出包括保留时间、m/z和强度(峰面积)的峰表,进行主成分分析(PCA),然后利用偏最小二乘法判别分析(OPLS-DA)找出不同产地连钱草差异性成分。结果 在负离子模式下,在广西产地连钱草中总共鉴定了31个化合物,包括8个酚酸,14个黄酮,7个萜类,1个有机酸,1个香豆素;其中14个化合物在连钱草中首次发现,22批连钱草在PCA中分布在两个区域,只有安徽产地3个批次与其他产地不同批次的化学成分存在明显差异性,说明除了安徽产地之外,其他不同产地连钱草化学成分总体相似,安徽产地与其他产地的差异性化学成分鉴定为萜类化合物。结论 UPLC/QTOF-MSE结合化学计量学方法能有效对不同产地连钱草的质量进行评价,为连钱草药材质量评价提供了科学的依据。
Abstract
OBJECTIVE To develop a comprehensive strategy integrateded with chemometrics METHODS for quality evaluation of Glechoma longituba(GL) from different geographical origins. METHODS The chemical differentiation of 22 batches of GL were performed by UPLC/QTOF-MSE coupled with UNIFITM software. To evaluate the quality of GL from different geographical origins, the principal component analysis (PCA) was developed to analyze the MSE data of 22 batches of GL. To find the markers, the orthogonal partial least squares discriminant analysis (OPLS-DA) was adopted to analyze the MSE data of 22 batches of GL. RESULTS A total of 31 compounds including 8 phenolic acids, 14 flavones, 7 terpenes, 1 organic acid and 1 coumarin were unambiguously or tentatively identified in the GL from Guangxi province. And 14 compounds were reported for the first time. Twenty-two batches of GL were well gathered and segregated into two different groups scattering in the score plot of PCA by MarkerLynx XS. The result of PCA showed that the chemical compositions of GL from Anhui province had obvious difference with those from other provinces. Based on the S-Plot from the score plot of OPLS-DA, the differential component of GL from Anhui province was tentatively identified as terpene. CONCLUSION The integrated strategy facilitates authentication of herbal medicines of different origins in a more efficient and more intelligent manner.
关键词
连钱草 /
化学成分 /
质量评价 /
超高效液相色谱-四级杆飞行时间质谱 /
主成分分析 /
偏最小二乘法判别分析
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Key words
Glechoma longituba /
chemical composition /
quality evaluation /
UPLC/QTOF-MSE /
PCA /
OPLS-DA
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中图分类号：
R284
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参考文献
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脚注
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基金
国家自然科学基金项目资助(81460600,81603274,81760711);江西省自然科学基金项目资助(20171BAB205100,20161BAB215189);江西省卫生计生委中医药科研项目资助(2016A042);江西中医药大学院士工作站专项资助(2016ZR001)
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