近红外光谱技术结合偏最小二乘法快速测定砂仁中乙酸龙脑酯的含量

摘要

目的：运用红外光谱（NIRS）技术快速测定砂仁中乙酸龙脑酯的含量。方法采用 GC 测定101份砂仁中乙酸龙脑酯的含量，采集其 NIRS 图，结合偏最小二乘法（PLS）建立砂仁中乙酸龙脑酯的定量分析模型。结果砂仁中乙酸龙脑酯的定量分析模型的校正集内部交叉验证决定系数（R2）、校正均方差（RMSEC）和内部交叉验证均方差（RMSECV）分别为0．99259、0．0145和0．0714；外部验证预测均方差（RMSEP）为0．0167。结论NIRS 简便准确，可用于砂仁中乙酸龙脑酯含量的快速测定。%ABSTRACTOBJECTIVE To rapidly determine the content of bornyl acetate in amomum villosum by near?infrared spectros-copyNIRS.METHODS The content of bornyl acetate in 101 amomum villosum was determined by GC.The quantitative a-nalysis model of bornyl acetate in amomum villosum was established by collecting near?infrared spectra combined with partial least squaresPLS.RESULTS The correlation coefficientsR2 the root?mean?square error of calibrationRMSEC and the root?mean?square error of cross?validation RMSECV of the quantitative calibration model of bornyl acetate were 0.992 590.014 5 and 0.071 4the root?mean?square error of prediction RMSEP was 0.016 7.CONCLUSION NIRS is simple and accuratewhich can be used for rapid determination of bornyl acetate in amomum villosum.