Simultaneous Spectrophotometric Determination of Three Tolualdehyde Isomers by Artificial Neural Networks and Its Compar
The simultaneous determination of tolualdehyde isomer mixtures by using a spectrophotometric method is a difficult problem in analytical chemistry,due to spectral interference.By multivariate calibration methods,such as partial least squares(PLS)and artificial neural network(ANN),it is possible to obtain a model adjusted to the con-centration values of the mixtures used in the calibration range.The ANN calibration model of simultaneous deter-mination of tolualdehyde isomers was based on absorption spectra in the 230-304 nm range for 48 different mix-tures of tolualdehyde isomers,and the concentration ranges for O-tolualdehyde,m-tolualdehyde and P-tolualdehyde were 6.0-15.0,7.0-16.0 and 8.0-19.0μg·mL-1, respectively.Other 7 samples were applied to testing me pre-dictive ability of the calibration model.The effect of the three isomers with different concentration ratios in their mixtures on the accuracy of determination results was discussed and the appropriate range of concentration ratio was found.The proposed method Was applied to simultaneous determination of the three isomers in synthetic sam-ples and the recoveries were between 84.00%and 109.60%.The results of determination were compared with the PLS model without significant difference at 0.05 level for o-tolualdehyde and m-tolualdehyde by paired t-test.But a better performance for p-tolualdehyde in their mixtures could be obtained by the ANN calibration model.
作 者： FANG,Huiwen LI,Hui LI,Yanwei ZHAO,Jing XU,Jian 作者单位： FANG,Huiwen,LI,Hui(China National Centerfor Quality Supervision and Test of Environmental Protection Products,Hebei Food Safety Laboratory,Shijiazhuang,Hehei 050051,China)LI,Yanwei,XU,Jian(College of Chemistry and Chemical Engineering,Taiyuan University of Technology,Taiyuan,Shanxi 030024,China)
ZHAO,Jing(College of Chemistry and Chemical Engineering,University of Guangxi,Nanning,Guangxi 530004,China)
刊 名： 中国化学（英文版） SCI 英文刊名： CHINESE JOURNAL OF CHEMISTRY 年，卷(期)： 2009 27(3) 分类号： O6 关键词： Chemometrics.spectrophotometric tolualdehyde isomer simultaneous determination