Towards non-target proactive food safety: identification of active compounds in convenience tomato products by ten-dimensional hyphenation with integrated simulated gastrointestinal digestion

Abstract

Current strategies for non-target food screening focus mainly on known hazardous chemicals (adulterants, residues, contaminants, packaging migrants, etc.) instead of bioactive constituents in general and exclude the biological effect detection. To widen the perspective, a more proactive non-target effect-directed strategy is introduced to complement food safety in order to detect not only known but also unknown bioactive compounds. The developed 10-dimensional hyphenation included on-surface digestion (1D), planar chromatographic separation (2D), visualization using white light (3D), UV light (4D), fluorescence light (5D), effect-directed assay analysis (6D), heart-cut zone elution to an orthogonal reversed phase column chromatography including online desalting (7D) with subsequent diode array detection (8D), high-resolution mass spectrometry (9D), and fragmentation (10D). Metabolism, i.e., intestinal digestion of each sample, was simulated and integrated on the same adsorbent surface to study any changes in the compound profiles. As proof of principle, nine convenience tomato products and a freshly prepared tomato soup were screened via five different planar assays in a non-targeted mode. Non-digested and digested samples were compared side by side. In their effect-directed profiles, 14 bioactive compounds from classes of lipids, plant hormones, spices, and pesticides were identified. In particular, bioactive compounds coming from the lipid class were increased by gastrointestinal digestion, while spices and pesticides remained unaffected. With regard to food safety, the determination of the two dinitrophenol herbicides dinoterb and dinoseb in highly processed tomato products should be given special attention. The hyphenation covered a broad analyte spectrum and showed robust and reliable results. Graphical Abstract