Simultaneous measurement of phenols by three-way fluorescence spectroscopy: A comparison of N-PLS/RBL, U-PLS/RBL and PARAFAC

Wei Zhu; Nan Jing Zhao; Rui Fang Yang; Yu Nan Chen; Xiao Wei Chen; Gao Fang Yin; Jian Guo Liu; Wen Qing Liu

doi:10.1016/j.saa.2020.118511

Simultaneous measurement of phenols by three-way fluorescence spectroscopy: A comparison of N-PLS/RBL, U-PLS/RBL and PARAFAC

Spectrochim Acta A Mol Biomol Spectrosc. 2020 Oct 5:239:118511. doi: 10.1016/j.saa.2020.118511. Epub 2020 May 21.

Authors

Wei Zhu¹, Nan Jing Zhao², Rui Fang Yang³, Yu Nan Chen⁴, Xiao Wei Chen⁴, Gao Fang Yin⁴, Jian Guo Liu⁴, Wen Qing Liu⁴

Affiliations

¹ Key Laboratory of Environmental 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, 230026, China.
² Key Laboratory of Environmental Optics and Technology, Anhui Institute of Optics and Fine Mechanics, Chinese Academy of Sciences, Hefei, 230031, China. Electronic address: njzhao@aiofm.ac.cn.
³ Key Laboratory of Environmental Optics and Technology, Anhui Institute of Optics and Fine Mechanics, Chinese Academy of Sciences, Hefei, 230031, China. Electronic address: rfyang@aiofm.ac.cn.
⁴ Key Laboratory of Environmental Optics and Technology, Anhui Institute of Optics and Fine Mechanics, Chinese Academy of Sciences, Hefei, 230031, China.

PMID: 32480275
DOI: 10.1016/j.saa.2020.118511

Abstract

Phenol, o-cresol, p-cresol, catechol and resorcinol are five phenolic compounds with extremely similar structure. Their fluorescence spectra are hard to be analyzed because of the serious spectral overlaps between any two of the five phenolic components in the mixture system. In this experiment, multi-dimensional partial least-squares (N-PLS), unfolded partial least-squares (U-PLS) with residual bilinearization (RBL) and parallel factor analysis (PARAFAC) are employed to analyze the three-way fluorescence spectra aiming to achieve quantitative results. Meanwhile, a contrast of these three methods is given. The experiment results show that N-PLS/RBL and U-PLS/RBL algorithms are superior to PARARFAC in terms of analysis of highly overlapping three-way fluorescence spectra for concentration determination.

Keywords: Fluorescence; Parallel factor analysis; Partial least-squares; Phenols; Residual bilinearization.