基于近红外光谱结合化学计量学的银杏酮酯喷干粉中的总黄酮醇苷的检测研究  

Research on the Determination of Total Flavonol Glycosides in Ginkgo Ester Spray Powder Based on Near Infrared Spectroscopy and Chemometrics

作　　者：黄建强 朱宝中 王金峰 

机构地区：[1]上海上药杏灵科技药业股份有限公司,上海

出　　处：《药物化学》2024年第4期297-304,共8页Hans Journal of Medicinal Chemistry

摘　　要：目的:本研究旨在建立近红外光谱法快速检测银杏酮酯喷干粉中总黄酮醇苷的方法。方法:利用化学计量学中PCA方法,结合霍特林T检验算法判定采集到样品的近红外光谱是有效的,使用偏最小二乘法(partial least squares, PLS)建立银杏酮脂喷干粉中总黄酮醇苷的快速检测方法。结果:根据Hotelling’s T2判定结果,采集的63批样品光谱数据无异常值,符合后续建模要求。使用模型评价方法对模型的稳定性、拟合程度、准确性进行考察,符合模型建立要求。结论:上述方法可用于银杏酮酯喷干粉的总黄酮醇苷的快速检测。Objective: The aim of this study was to establish a method for rapid determination of total flavonoid glycosides in ginkgo ester spray powder by near infrared spectroscopy. Methods: The PCA method in chemometrics combined with the Hotelling T test algorithm was used to determine the validity of the near infrared spectrum of samples collected. Partial least squares (PLS) was used to establish a rapid detection method for total flavonol glycosides in ginkgo ester spray powder. Results: According to Hotelling’s T2 judgment results, the collected spectral data of 63 batches of samples had no normal values, which met the requirements of subsequent modeling. The stability, fitting degree and accuracy of the model were investigated by using the model evaluation method, which met the requirements of model establishment. Conclusion: The method can be used for the rapid determination of total flavonol glycosides in ginkgo ester spray powder.

关 键 词：银杏酮酯 喷雾干燥 总黄酮醇苷 近红外光谱 偏最小二乘法 过程质量控制 

分 类 号：O62[理学—有机化学]