化学计量学
指纹(计算)
偏最小二乘回归
绿原酸
阿魏酸
咖啡酸
色谱法
主成分分析
化学
弗洛斯
欧前胡素
人工智能
数学
高效液相色谱法
芦丁
计算机科学
统计
抗氧化剂
生物化学
标识
DOI:10.1002/jssc.201700212
摘要
A fingerprint method was developed and combined with chemometrics for quality evaluation of Tianma Toutong tablets, which are herbal medicine tablets used to treat migraine. Samples were analyzed by high‐performance liquid chromatography, where five single‐wavelength profiles (203, 232, 254, 280 and 310 nm) were fused to generate a five‐wavelength fusion fingerprint and were also used for the quantitative analysis of seven chemical markers (gastrodin, caffeic acid, hesperidin, isoimperatorin, chlorogenic acid, ferulic acid and imperatorin). A systematic quantitative fingerprint method and principal component analysis were used to analyze the generated data. Samples could be well distinguished from different manufacturers by analyzing the chromatographic data sets. In addition, the partial least squares model can serve as an antioxidant activity evaluation of Tianma Toutong tablets, as well as a reference for the selection of active constituents to analyze the spectrum–activity relationship. In summary, the integrated use of the fingerprint and chemometric analysis provides a reliable method for the identification of markers and the quality control of Tianma Toutong tablets.
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