近红外分析技术在气滞胃痛颗粒提取过程中的快速质量检测应用
Application of Near Infrared Spectroscopy in Rapid Quality Detection of Qizhi Weitong Granules during Extraction

目的：建立近红外光谱法快速检测气滞胃痛颗粒提取液中芍药苷含量的方法。方法：利用近红外光谱仪对提取液样品进行扫描，对其光谱进行预处理和波段选择，并结合偏最小二乘法(partial least squares, PLS)建立芍药苷含量快速无损检测方法。结果：所建立的模型的决定系数R2为0.9793，交叉验证均方根差值为0.2006，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：所建立的模型准确度高，适用于气滞胃痛颗粒提取液中芍药苷含量的快速检测。
Objective: To establish a method for rapid determination of paeoniflorin in extract of Qizhi Weitong granules by near infrared spectroscopy. Methods: The extract sample was scanned by near infrared spectrometer, and its spectrum was preprocessed and band selection was carried out. Combined with partial least squares (PLS) method, a rapid and nondestructive detection method for paeoni-florin content was established. Results: The determination coefficients R of the established model were 0.9793, and the root mean square difference of cross-validation were 0.2006, respectively. There was no significant difference between the predicted value and the true value (P > 0.05) after the prediction and statistical analysis of the validation set samples. Conclusion: The established model has high accuracy and is suitable for the rapid detection of paeoniflorin content in the extract of Qizhi Weitong granules.