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Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy

Direct detection of phoxim in water by two-dimensional correlation near-infrared spectroscopy combined with partial least squares discriminant analysis.


PMID 22854274

Abstract

This paper has established a simple method to detect directly phoxim in water. In the light of two-dimensional correlation analysis, the band of wavenumber for near-infrared spectroscopy of the model is between 5364.8 and 7552.9 cm(-1), the rate of accuracy for partial least squares discriminant analysis to calibration set (n=149) is 100%, prediction set (n=75) is 93.3% and the overall rate of accuracy for all the samples is 97.8% under the limit of detection 1 μg ml(-1) owing to the spectra preprocessing by standard normal variate transformation and multiplicative scatter correction. It is made clear that this method (two-dimensional correlation analysis combined with partial least squares discriminant analysis) is effective to detect directly phoxim in water.

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