基于近红外光谱结合化学计量学对淫羊藿药材中总黄酮的检测研究  

Detection of Total Flavonoids in Epimedium Herbal Medicine Based on Near-Infrared Spectroscopy Combined with Chemometrics

作　　者：欧阳燕琴 李霞 张勇 张发森 莫传灼 曾艳兰 黄元红 

机构地区：[1]华润三九医药股份有限公司,广东 深圳 [2]深圳市中药制造业创新中心有限公司,广东 深圳

出　　处：《药物化学》2024年第1期61-67,共7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淫羊藿药材中总黄酮的方法。通过使用近红外光谱仪对淫羊藿样品进行扫描,对其光谱进行预处理和波段选择,结合偏最小二乘法(Partial Least Squares, PLS)建立了总黄酮的快速无损检测方法。方法:利用近红外光谱仪扫描淫羊藿样品,对其光谱进行预处理和波段选择,同时结合偏最小二乘法(partial least squares, PLS)建立总黄酮快速无损检测方法。结果:所建立的模型的决定系数R为0.9289,交叉验证均方根差值为0.863,经过对验证集样品进行预测并统计分析,预测值与真实值之间无显著差异(P > 0.05)。结论:所建立的模型具有高准确度,适用于淫羊藿的总黄酮的快速检测。Objective: The aim of this study is to establish a rapid detection method for total flavonoids in Epimedium herbal medicine using near-infrared spectroscopy. By scanning Epimedium samples with a near-infrared spectrometer, the spectral data were preprocessed, and specific wavelength bands were selected. The Partial Least Squares (PLS) method was applied to develop a fast and non-destructive detection model for total flavonoids. Methods: Epimedium samples were scanned using a near-infrared spectrometer. The acquired spectra underwent preprocessing and wavelength selection. The Partial Least Squares (PLS) method was employed to establish a rapid and non-destructive detection model for total flavonoids. Results: The established model exhibited a determination coefficient (R) of 0.9289, and the root mean square error of cross-validation was 0.863. Predictions made on the validation set samples showed no significant difference between predicted values and actual values (P > 0.05). Conclusion: The developed model demonstrates high accuracy and is suitable for the rapid detection of total flavonoids in Epimedium herbal medicine.

关 键 词：近红外光谱法 偏最小二乘法 过程质量控制 淫羊藿 总黄酮 

分 类 号：R28[医药卫生—中药学]