近红外光谱法快速测定五加皮酒提取液特征性成分

Rapid Detection Characteristic Constituents of Wujiapi Liquor Extract by Near Infrared Spectroscopy

摘要:

目的: 建立五加皮酒提取液中特征性成分的近红外光谱快速检测方法. 方法: 采用HPLC测定样品中甘草酸、木香烃内酯、去氢木香内酯的含量,运用偏最小二乘法(PLS)建立各含量与近红外光谱(NIRS)之间的多元校正模型,并对未知样品进行定量预测. 结果: 校正模型对甘草酸、木香烃内酯、去氢木香内酯的交叉验证均方差(RMSECV)分别为0.023 9,0.021 8,0.012 6,相关系数(R²)分别为0.978 0,0.978 7,0.975 7,经外部验证,预测均方差(RMSEP)分别为0.023 7,0.018 8,0.010 7. 结论: 利用近红外光谱法建立的模型具有良好的预测效果,能满足五加皮酒提取液中特征性成分快速测定的要求.

Abstract:

Objective: To establish a near infrared spectroscopy method for rapid detection the characteristic contents in Wujiapi liquor extract. Method: The contents of glycyrrhizic acid, costunolide and dehydrocostuslactone determined by HPLC method were used as reference values and the near infrared spectroscopy of the Wujiapi liquor extract were collected by fourier transform near infrared spectroscopy technology. Partial least square (PLS) was utilized to build the quantitative calibration models and the unknown samples were quantitatively determined. Result: The results showed that the mean square errors of cross-validation (RMSECV) were 0.023 9, 0.021 8 and 0.012 6, respectively, the correlation coefficient (R²) were 0.978 0, 0.978 7 and 0.975 7, respectively. External validation samples collected were used to evaluate the quantitative models. The root mean square errors of prediction (RMSEP) were 0.023 7, 0.018 8 and 0.010 7, respectively. Conclusion: Using near infrared spectroscopy the models have good predictive effect, which could meet the demand to rapid detect the characteristic constituents in Wujiapi liquor extract.