运用近红外光谱法建立广藿香中百秋李醇的定量模型

Quantitative model for patchouli alcohol in Pogostemon cablin by near-infrared spectroscopy

目的:建立广藿香中百秋李醇含量的近红光谱外定量模型,快速测定广藿香中百秋李醇含量。方法:用气相色谱法测定102批广藿香的百秋李醇含量,采集并用一阶导和标准归一化预处理近红外光谱,结合偏最小二乘法建立百秋李醇的定量模型。结果:建立的校正模型,内部交叉验证决定系数达到0.991 10,校正均方差为0.012 9,预测均方差为0.012 8,内部交叉验证均方差为0.033 15。结论:建立的近红外定量模型稳定,准确可靠,可快速对广藿香百秋李醇含量进行测定。

Objective： To establish a near-infrared spectroscopy quantitative model for rapid determination of the patchouli al- cohol content in Pogostemon cablin. Method： The gas chromatography was adopted for determining the content of patchouli alcohol content in 102 batches of P. cablin samples. Their near-infrared spectrograms were collected and preprocessed by standard normal vari- ate and the first derivative of Savitsky-Golay. The quantitative model of patchouli alcohol content was established by the partial least squares regression analysis. Result： According to the correction model established in this study, the root-mean-square error of calibra- tion, the root-mean-square error of prediction and the root-mean-square error of cross-validation of the calibration model for Patchouli alcohol were 0. 991 10, 0. 012 9, 0. 012 8 and 0. 033 15, respectively. Conclusion ： The near-infrared spectroscopy quantitative model established in this study is stable, accurate and reliable for the rapid determination of the content of patchouli alcohol in P. cablin.