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近红外光谱法快速测定烟草中的绿原酸、新绿原酸和芸香苷

Rapid Determination of Chlorogenic Acid,Neochlorogenic Acid and Rutin in Tobacco with NIR Spectroscopy

  • 摘要: 为了加快烟草中绿原酸、新绿原酸、芸香苷含量的分析速度,采用183个烟草(烤烟)样品绿原酸、新绿原酸、芸香苷含量的高效液相色谱法测定值及其近红外(NIR)光谱,通过多元散射、一阶导数+附加散射校正光谱预处理和偏最小二乘法建立了NIR预测模型,并进行了内部交叉验证和30个烟叶样品的外部预测验证。结果表明:模型的预测值与化学测定值的平均相对偏差分别为0.545%、0.709%、1.954%,RSD各为0.83%、3.18%、1.426%。该方法可用于批量烟草中绿原酸、新绿原酸、芸香苷的快速测定。

     

    Abstract: In order to determine chlorogenic acid,neochlorogenic acid and rutin in tobacco rapidly,the near infrared spectra of 183 tobacco samples were measured with near infrared spectroscopy and the three compounds in samples were determined by HPLC.The calibration models between spectral data and the contents of chlorogenic acid,neochlorogenic acid and rutin were developed by preprocessing spectra with multiplicative scatter calibration,first derivative + scatter calibration,and then the processed spectra and the contents of the three compounds were regressed by partial least square.The models were verified by internal cross validation and external predictive validation with 30 tobacco samples.The results showed that the average relative errors between NIR-predicted values and determined values were 0.545%,0.709% and 1.954% with RSDs of 0.83%,3.18% and 1.426%,respectively.This method was suitable for the rapid determination of chlorogenic acid,neochlorogenic acid and rutin in batches of tobacco samples.

     

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