Determination of phenolic compounds in water using a multivariate statistical analysis method combined with three-dimensional fluorescence spectroscopy
Wei Zhu, Ruifang Yang, Nanjing Zhao, Gaofang Yin, Jianguo Liu
Abstract
-cresol, catechol, and resorcinol combined with excitation-emission matrix (EEM) fluorescence data. A multivariate statistical method called best linear unbiased prediction (BLUP) is proposed to analyze the spectra with the aim to achieve quantitative results and a trilinear decomposition algorithm called parallel factor analysis (PARAFAC) was used for comparison. Two experiments with different calibration samples were set to validate the effectiveness of BLUP through recovery, ARecovery (Average Recovery), AREP (Average Relative Error of Prediction), and RMSE (Root Mean Square Error). Overall, the average recovery of each component in experiment 1 and experiment 2 ranged from 95.91% to 111.62% and 82.91% to 129.02%, respectively. Based on the results of the experiments, the concentration of phenolic compounds in water can be quantitatively determined by combining three-dimensional fluorescence spectroscopy with the BLUP method.