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基于正交信号校正和偏最小二乘法的分光光度法同时测定硝基苯酚异构体

Spectrophotometric simultaneous determination of nitrophenol isomers by orthogonal signal correction and partial least squares.

作者信息

Niazi Ali, Yazdanipour Ateesa

机构信息

Department of Chemistry, Faculty of Sciences, Azad University of Arak, Arak, Iran.

出版信息

J Hazard Mater. 2007 Jul 19;146(1-2):421-7. doi: 10.1016/j.jhazmat.2007.03.063. Epub 2007 Mar 25.

DOI:10.1016/j.jhazmat.2007.03.063
PMID:17445981
Abstract

A simple, novel and sensitive spectrophotometric method was described for simultaneous determination of nitrophenol isomers mixtures. All factors affecting on the sensitivity were optimized and the linear dynamic range for determination of nitrophenol isomers were found. The simultaneous determination of nitrophenol mixtures by using spectrophotometric methods is a difficult problem, due to the spectral interferences. The partial least squares modeling was used for the multivariate calibration of the spectrophotometric data. The orthogonal signal correction was used for preprocessing of data matrices and the prediction results of model, with and without using orthogonal signal correction, were statistically compared. The experimental calibration matrix was designed by measuring the absorbance over the range 300-520 nm for 21 samples of 1-20, 1-20 and 1-10 microg ml(-1) of m-nitrophenol, o-nitrophenol and p-nitrophenol, respectively. The RMSEP for m-nitrophenol, o-nitrophenol and p-nitrophenol with and without OSC were 0.3682, 0.5965, 0.3408 and 0.7351, 0.9962, 1.0055, respectively. The proposed method was successfully applied for the determination of m-nitrophenol, o-nitrophenol and p-nitrophenol in synthetic and real matrix samples such as water.

摘要

描述了一种简单、新颖且灵敏的分光光度法,用于同时测定硝基苯酚异构体混合物。对影响灵敏度的所有因素进行了优化,并确定了测定硝基苯酚异构体的线性动态范围。由于光谱干扰,采用分光光度法同时测定硝基苯酚混合物是一个难题。使用偏最小二乘建模对分光光度数据进行多元校准。使用正交信号校正对数据矩阵进行预处理,并对使用和不使用正交信号校正的模型预测结果进行统计学比较。通过分别测量21个样品(间硝基苯酚、邻硝基苯酚和对硝基苯酚的浓度分别为1 - 20、1 - 20和1 - 10 μg ml⁻¹)在300 - 520 nm范围内的吸光度来设计实验校准矩阵。使用和不使用OSC时,间硝基苯酚、邻硝基苯酚和对硝基苯酚的RMSEP分别为0.3682、0.5965、0.3408和0.7351、0.9962、1.0055。所提出的方法成功应用于合成样品和实际基质样品(如水)中间硝基苯酚、邻硝基苯酚和对硝基苯酚的测定。

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