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
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.
- Publication:
-
Spectrochimica Acta Part A: Molecular Spectroscopy
- Pub Date:
- December 2018
- DOI:
- 10.1016/j.saa.2018.07.045
- Bibcode:
- 2018AcSpA.205..381Y
- Keywords:
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- Four-way spectral data;
- Polycyclic aromatic hydrocarbons;
- Three-dimension fluorescence;
- Spectra;
- Alternating weighted residue constraint quadrilinear decomposition