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

• Published in: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy Vol. 205; pp. 381 - 390
• Main Authors: Yang, Zhe, Liu, Tingting, Wang, Yutian, Yuan, Yuanyuan, Shang, Fengkai
• Format: Journal Article
• Language: English
• Published: England Elsevier B.V 05.12.2018
• Subjects: Alternating weighted residue constraint quadrilinear decomposition; Four-way spectral data; Polycyclic aromatic hydrocarbons; Spectra; Three-dimension fluorescence; Four-way spectral data; Spectra; Polycyclic aromatic hydrocarbons; Alternating weighted residue constraint quadrilinear decomposition; Three-dimension fluorescence
• ISSN: 1386-1425; 1873-3557
• DOI: 10.1016/j.saa.2018.07.045

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. [Display omitted] •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.