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

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。

Abstract: 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.