1. Comparison of several third-order correction algorithms applied to fluorescence excitation–emission-sample data array: Interference-free determination of polycyclic aromatic hydrocarbons in water pollution.
- Author
-
Yang, Zhe, Liu, Tingting, Wang, Yutian, Yuan, Yuanyuan, and Shang, Fengkai
- Subjects
- *
POLYCYCLIC aromatic compounds , *X-ray spectroscopy , *CHEMICAL decomposition , *ACENAPHTHENE , *NAPHTHALENE - Abstract
Abstract Interference-free determination of polycyclic aromatic hydrocarbons (PAHs) in water pollution is proposed based on third-order correction algorithms with quadrilinear component modeling applied to the constructed four way fluorescence excitation–emission-sample data array with higher accuracy and better predictive ability than second-order (three-dimension) correction. Alternating weighted residue constraint quadrilinear decomposition (AWRCQLD), quadrilinear parallel factor analysis (4-PARAFAC), alternate penalty quadrilinear decomposition (APQLD) and alternate penalty trilinear decomposition (APTLD) are applied to acenaphthene (ANA), naphthalene (NAP) and fluorene (FLU) respectively. Fulvic acid affects PAHs determination seriously in real-world situation, so it is simulated as an interfering agent. Excitation-emission fluorescence matrixes (EEMs) of PAHs are measured at different volumes of fulvic acid simulated different interference conditions, to construct a four-way data array. After the four-way spectra data is analyzed by AWRCQLD, 4-PARAFAC, and APQLD, three-way EEMs analyzed by APTLD, results show that, on the one hand, PAHs can be measured more accurately with four-way data combined with third-order calibration than lower-order. On the other hand, AWRCQLD algorithm can reflect the superiority of third-order advantage better with higher recovery rate and smaller root mean square error, than other third-order or second-order correction algorithms. Graphical Abstract Unlabelled Image Highlights • Interference-free determination of PAHs is realised with high-order correction algorithm. • The proposed four-way data array can get satisfactory results with higher precision. • AWRCQLD algorithm with best performance is better than APQLD or 4-PARAFAC algorithm. [ABSTRACT FROM AUTHOR]
- Published
- 2018
- Full Text
- View/download PDF