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目的:利用近红外光谱建立快速测定藿香正气水中乙醇含量的方法。方法:用GC法测定藿香正气水中乙醇含量,采用偏最小二乘法(PLS)建立NIR光谱与GC测定值之间的多元校正模型,预测藿香正气水中乙醇含量。结果:所建立的校正模型内部交叉验证的决定系数R~2为99.88,内部交叉验证方差(RMSECV)为0.347;验证预测值与理论值的相关系数为0.998 5,预测值平均回收率为99.92%(RSD=1.02%,n=9)。结论:本方法简便精确、快速环保,可用于藿香正气水中乙醇含量的快速检测。
Objective: To establish a rapid method for determination of ethanol content in Huoxiangzhengqi water by near infrared spectroscopy. Methods: The content of ethanol in Huoxiangzhengqi was determined by GC method. The multivariate calibration model between NIR spectrum and GC was established by partial least squares (PLS) to predict the ethanol content of Huoxiangzhengqi. Results: The calibration coefficient R ~ 2 was 99.88 and the RMSECV was 0.347. The correlation coefficient between the predicted value and the theoretical value was 0.998 5 and the average recovery rate was 99.92% (RSD = 1.02%, n = 9). Conclusion: The method is simple and accurate, rapid and environmentally friendly, and can be used for the rapid detection of ethanol content in Huoxiangzhengqi water.