近红外分析技术应用于复方血栓通胶囊三七浓缩过程的快速质量检测
Rapid Quality Determination of Compound Xueshuantong Capsule Notoginseng’s Concentration Process, Using Near Infrared Spectroscopy Combined with Stoichiometry

目的：利用近红外光谱分析技术(NIRS)其操作简单、快速无损、准确可靠以及在不破坏原检测物质的基础上结合化学计量学中的偏最小二乘法(PLSR)构建中药制剂生产过程工段三七浓缩液中的三七含量的快速检测方法，从而建立一种适用于复杂中药体系的中间过程快速检测方法。方法：以高效液相色谱法(HPLC)作为参比分析方法测定三七浓缩液总皂苷含量(三七皂苷R1、人参皂苷Rg1、人参皂苷Re、人参皂苷Rb1)，利用近红外光谱仪对取得的60批浓缩工段全过程的代表性样品进行扫描，对其光谱进行预处理和波段选择，并结合偏最小二乘法(PLSR)建立三七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0.9962；校正标准偏差RMSEC为3.1278；预测标准偏差RMSEP为5.1539。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：模型R2值接近于1、RMSEC为3.1278、RMSEP为5.1539，所建立的模型准确度高，适用于三七浓缩液中的三七含量的快速检测。
Objective: To establish a rapid method for the determination of the concentration of Panax noto-ginseng in the concentrated solution of Panax notoginseng in the production process of traditional Chinese medicine preparation by using near infrared spectroscopy (NIRS), which is simple, fast, nondestructive, accurate and reliable, and combined with partial least square method (PLSR) in stoichiometry without destroying the original detection substances. Therefore, it can be used for rapid quality control in the middle process of the complex Chinese medicine system. Methods: HPLC was used as a reference method to determine the content of total saponins in the concentrated solution of Panax notoginseng (Panax notoginsenoside R1, Panax ginsenoside Rg1, Panax ginsenoside Re, Panax ginsenoside Rb1). The representative samples of the whole process of 60 batches of concentration section were scanned by NIR spectrometer, and their spectra were pretreated and bands were selected. The method of rapid nondestructive detection of Panax notoginseng was established by the partial least square method (PLSR). Results: The determination coefficient R2 of the established model was 0.9962. Calibration standard deviation RMSEC is 3.1278; the prediction standard deviation RMSEP is 5.1539. The samples of the validation set were predicted and statistically analyzed, and there was no significant difference between the predicted and true values (P > 0.05). Conclusion: The R2 value of the model is close to 1, RMSEC is 3.1278 and RMSEP is 5.1539. The established model has high accuracy and is suitable for the rapid determination of the content of Panax notoginseng in concentrated solution.