近红外光谱法快速测定丹皮中丹皮酚和水分的含量

目的:采用近红外光谱技术结合偏最小二乘法(Partial Least Squares,PLS)快速测定丹皮中丹皮酚与水分含量。方法:收集不同产地丹皮样品108批,采用PLS法建立丹皮中水分和丹皮酚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丹皮酚含量,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:丹皮酚和水分校正集的相关系数分别为0.959 3,0.873 8,校正均方根误差分别为0.114,0.167;预测集均方根误差分别为0.136,0.157。结论:该方法快速、简便、无污染,实验结果实现了丹皮样品中丹皮酚和水分含量的快速测定。

Rapid Content Determination of Paeonol and Water in Moutan Cortex Using Near Infrared Spectroscopy

Objective: To rapidly determine the contents of paeonol and water in Moutan Cortex using near infrared (NIR) spectroscopy combined with partial least squares (PLS). Method: 108 batches of Moutan Cortex samples were collected from different regions of China. Near infrared spectrum correction models were established using PLS method for determination of paeonol and water content. The reference analyses were performed with oven-drying method and ultra performance liquid chromatography method respectively for water and paeonol content. Correlation coefficient and predicted root mean square error were also used for evaluating the estimated performance of the models. Result: The correlation coefficients for calibration set were 0.9593 and 0.8738 respectively for paeonol and water content;root mean square error of calibration was 0.114 and 0.167, respectively;root mean square error of prediction set was 0.136 and 0.157, respectively. Conclusion: This method is rapid, simple, and has no pollution, which can be used for rapid determination of paeonol and water in Moutan Cortex.