TITLE:
Near-Infrared Spectroscopy Coupled with Kernel Partial Least Squares-Discriminant Analysis for Rapid Screening Water Containing Malathion
AUTHORS:
Congying Gu, Bingren Xiang, Yilong Su, Jianping Xu
KEYWORDS:
Kernel Partial Least Squares-Discriminant Analysis; Near-Infrared Spectroscopy; Malathion; Water
JOURNAL NAME:
American Journal of Analytical Chemistry,
Vol.4 No.3,
March
27,
2013
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.