Chemometrics-assisted excitation-emission matrix fluorescence spectroscopy for real-time migration monitoring of multiple polycyclic aromatic hydrocarbons from plastic products to food simulants

Polycyclic aromatic hydrocarbons (PAHs), as a class of organic pollutants that have attracted much attention, are likely to be formed with the production and processing of plastic products, and they may migrate from contaminated plastic products to food, causing the risk of poisoning or cancer. In this study, migration tests were carried out on disposable plastic products for food contact, and a novel strategy that combines excitation-emission matrix (EEM) fluorescence spectroscopy with the advanced second-order calibration method based on the three-direction resection alternating trilinear decomposition (TDR-ATLD) algorithm was used to monitor the migration of three PAHs anthracene (ANT), pyrene (PYR), and phenanthrene (PHE) from the plastic products to food simulants in real-time. With the "second-order advantage", even if the fluorescence spectra of the target analytes overlapped seriously, and other unknown substances migrated from the plastic products to food simulants, accurate qualitative and quantitative results were still obtained by the proposed method. In the static system, the coefficient of determination (R2) of the three PAHs within the calibration range were all greater than 0.99, and the average spiked recoveries were 99.5-107.1%, with the standard deviation lower than 8.9%. The figures of merit (FOMs) and intra- or inter-day precision also showed good feasibility and reliability of the method. In the simulation study of the migration kinetic process, three PAHs can be quantified in real-time in complex matrix, then the related migration equations were established. The results indicate that the proposed method can be used for real-time migration quantitative monitoring of PAHs, providing a potential and available method for the study of the migration kinetics of hazardous substances from food contact materials to food or food simulants.