title: Determination of polycyclic aromatic hydrocarbons by four-way parallel factor analysis in presence of humic acid.
abstract: There is not effective method to solve the quenching effect of quencher in fluorescence spectra measurement and recognition of polycyclic aromatic hydrocarbons in aquatic environment. In this work, a four-way dataset combined with four-way parallel factor analysis is used to identify and quantify polycyclic aromatic hydrocarbons in the presence of humic acid, a fluorescent quencher and an ubiquitous substance in aquatic system, through modeling the quenching effect of humic acid by decomposing the four-way dataset into four loading matrices corresponding to relative concentration, excitation spectra, emission spectra and fluorescence quantum yield, respectively. It is found that Phenanthrene, pyrene, anthracene and fluorene can be recognized simultaneously with the similarities all above 0.980 between resolved spectra and reference spectra. Moreover, the concentrations of them ranging from 0 to 8μgL(-1) in the test samples prepared with river water could also be predicted successfully with recovery rate of each polycyclic aromatic hydrocarbon between 100% and 120%, which were higher than those of three-way PARAFAC. These results demonstrate that the combination of four-way dataset with four-way parallel factor analysis could be a promising method to recognize the fluorescence spectra of polycyclic aromatic hydrocarbons in the presence of fluorescent quencher from both qualitative and quantitative perspective.
authors.affiliation: Key Laboratory of Environment Optics and Technology, Anhui Institute of Optics and Fine Mechanics, Chinese Academy of Sciences, Hefei 230031, China; University of Science and Technology of China, Hefei 230022, China.
authors.forename: Ruifang
authors.initials: R
authors.lastname: Yang
authors.affiliation: Key Laboratory of Environment Optics and Technology, Anhui Institute of Optics and Fine Mechanics, Chinese Academy of Sciences, Hefei 230031, China. Electronic address: njzhao@aiofm.ac.cn.
authors.forename: Nanjing
authors.initials: N
authors.lastname: Zhao
authors.affiliation: Key Laboratory of Environment Optics and Technology, Anhui Institute of Optics and Fine Mechanics, Chinese Academy of Sciences, Hefei 230031, China.
authors.forename: Xue
authors.initials: X
authors.lastname: Xiao
authors.affiliation: Hefei Normal University, School of Mathematics and Statistics, Hefei 230061, China.
authors.forename: Shaohui
authors.initials: S
authors.lastname: Yu
authors.affiliation: Key Laboratory of Environment Optics and Technology, Anhui Institute of Optics and Fine Mechanics, Chinese Academy of Sciences, Hefei 230031, China.
authors.forename: Jianguo
authors.initials: J
authors.lastname: Liu
authors.affiliation: Key Laboratory of Environment Optics and Technology, Anhui Institute of Optics and Fine Mechanics, Chinese Academy of Sciences, Hefei 230031, China.
authors.forename: Wenqing
authors.initials: W
authors.lastname: Liu
keywords: Fluorescence; Humic acid; Parallel factor analysis; Polycyclic aromatic hydrocarbons; Quencher