近红外光谱测定藿胆丸中水分含量

Content Determination of Moisture in Huodan Pills by Near-infrared Spectroscopy

目的应用近红外光谱技术测定藿胆丸中的水分含量。方法首先测定174批藿胆丸水分含量,同时采集其近红外光谱数据,用一阶导数法与S-G平滑法预处理,结合偏最小二乘法建立水分含量的近红外光谱定量分析模型,利用验证集样品验证。结果该模型内部交叉验证决定系数为0.988 17,校正均方差为0.103,内部交叉验证均方差为0.326 16,验证集的预测均方差0.217,平均回收率98.02%。结论该近红外光谱水分定量分析模型稳定,准确可靠,可用于藿胆丸中水分的含量测定。

Objective To determine the moisture in Huodan pills by near-infrared spectroscopy. Methods At the beginning,water content of 174 samples were determined and all data of samples about near-infrared spectrum were collected. And then all the data were pretreated by first-derivative and Savitzky-Golay filter. At last,the NIR quantitative model for moisture in huodan pills was established by partial least squares regression and validated by the validation set. Results The correlation coefficients,the root mean square error overall of calibration, that of cross validation of the calibration model was 0. 988 17, 0. 103,and 0. 326 16,respectively. The root mean square error overall of prediction and the average recovery of validation was 0. 217 and 98. 02%. Conclusion The NIR spectroscopy analysis model is steady,accurate and reliable,which can be used to detecte moisture content of huodan pills.