近红外光谱法快速测定白芍中芍药苷和水分的含量

目的:采用近红外光谱技术建立白芍中芍药苷和水分的定量模型。方法:收集不同产地白芍样品108批,采用偏最小二乘法建立白芍中水分和芍药苷含量的近红外光谱校正模型,以烘干法和超高效液相色谱法,分别测定样品中水分和芍药苷含量,作为参考值,并用相关系数和预测均方差对模型预测性能进行评价。结果:芍药苷和水分校正集的相关系数分别为0.967 6,0.873 1,校正集均方根误差分别为0.406,0.264;预测集均方根误差分别为0.599,0.252。结论:该方法快速、简便、无污染、结果可靠,实现了白芍样品中芍药苷和水分含量的快速、准确测定。

Establishment of Quantitative Models of Paeoniflorin and Water in Paeoniae Radix Alba Based on NIR Spectroscopy

Objective: To establish quantitative models of paeoniflorin and water in samples of Paeoniae Radix Alba using near infrared (NIR) spectroscopy. Method: 108 batches of Paeoniae Radix Alba samples were collected from different regions of China. Near infrared spectrum correction models for determination of paeoniflorin and water in samples were developed with the application of partial least squares regression. The reference analyses were performed with oven-drying method and ultra performance liquid chromatography method respectively for determination of water and paeoniflorin. Correlation coefficient and predicted root mean square error were also used for evaluating the estimated performance of the models. Result: For paeoniflorin and water, the correlation coefficients for calibration set were 0.9676 and 0.8731, respectively;root-mean-square errors for calibration set were 0.406 and 0.264, respectively;root-mean-square errors for prediction set of the two analytes reached 0.599 and 0.252, respectively. Conclusion: This method is rapid, simple, reliable and has no pollution, which can be used for rapid and accurate determination of paeoniflorin and water in Paeoniae Radix Alba.