Near-Infrared Spectroscopy Coupled with Kernel Partial Least Squares-Discriminant Analysis for Rapid Screening Water Containing Malathion

Congying Gu, Bingren Xiang, Yilong Su, Jianping Xu

Center for Instrumental Analysis, China Pharmaceutical University, Key Laboratory of Drug Quality Control and Pharmacovigilance under the Ministry of Education, Nanjing, China.
Department of Analytical Chemistry, China Pharmaceutical University, Nanjing, China.
Zhongjian Pharmaceutical Co. Ltd., Zhongshan, China.

DOI: 10.4236/ajac.2013.43015                

Abstract

Near-infrared spectroscopy coupled with kernel partial least squares-discriminant analysis was used to rapidly screen water containing malathion. In the wavenumber of 4348 cm^-1 to 9091 cm^-1, the overall correct classification rate of kernel partial least squares-discriminant analysis was 100% for training set, and 100% for test set, with the lowest concentration detected malathion residues in water being 1 μg·ml^-1. Kernel partial least squares-discriminant analysis was able to have a good performance in classifying data in nonlinear systems. It was inferred that Near-infrared spectroscopy coupled with the kernel partial least squares-discriminant analysis had a potential in rapid screening other pesticide residues in water.

Keywords

Kernel Partial Least Squares-Discriminant Analysis; Near-Infrared Spectroscopy; Malathion; Water

Conflicts of Interest

The authors declare no conflicts of interest.

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