近红外光谱法定量分析维生素E

The Quantitative Determination of Vitamin E by Near-Infrared Absorption Spectrometry

在93％-97．4％浓度范围内，利用维生素E（VE）在6061－5246cm－1处的近红外吸收峰峰面积积分值和其浓度关系建立的回归方程为：Y=103．43－0.078624X。用此回归方程对已知浓度的样品进行预测，误差及相对误差均在-0．79％－0．9％内。在较宽浓度范围80％-97％之间的VE，用PLS算法选择不同的数据预处理方法，对近红外吸光度值和其含量的关系建模，并用已知浓度的VE进行校验。结果表明，选择矢量归一的预处理方法，能够达到很好的预测效果。利用近红外光谱法测定VE的含量，并选择合适的算法对数据进行处理，具有操作简便、准确和快速等优点。

A regression equation, Y = 103. 43 - 0. 078624X, had been obtained in the concentration range of 93% ~ 97.4% based on the relationship between the area of near-infrared absorption peak and its concentration. In a more wide concentration range of 80% ~ 97%, the Partial least square method (PLD) was used to establish the model. Three kinds of data preprocessing methods were applied to the PLS and it was found the vector normalization was the best. The results show that near-infrared spectroscopy is a simple effective means for the determintation of Vitamin E using different data analysis methods.