title: Nontargeted multicomponent analytical screening of plastic food contact materials using fast interpretation of deliverables via expert structure-activity relationship software.
abstract: Plastic packaging materials may release compounds into packed foodstuffs. To identify potential migrants of toxicological concern, resins, and multilayer foils (mainly polyethylene) intended for the production of food contact materials were extracted and analyzed by GC/mass spectrometry. To identify even compounds of low concentrations, AMDIS software was used and data evaluation was safeguarded by the Kovats retention index (RI) system. In this way, 46 compounds were identified as possible migrants. The expert structure-activity relationship software DEREK for Windows was utilized to evaluate all identified substances in terms of carcinogenicity, genotoxicity, thyroid toxicity, and miscellaneous endpoints for humans. Additionally, a literature search for these compounds was performed with Sci-Finder, but relevant data were missing for 28 substances. Seven compounds with adverse toxicological effects were identified. In addition, the RIs of 24 commercial additive standards, measured with a GC capillary column of intermediate polarity, are given.
authors.affiliation: Chemisches und Veterinäruntersuchungsamt Stuttgart, Schaflandstrasse 3/2, 70736 Fellbach, Germany.
authors.forename: Thorsten
authors.initials: T
authors.lastname: Rothenbacher
authors.forename: Wolfgang
authors.initials: W
authors.lastname: Schwack
mesh_terms: D005506:Food Contamination / Q000032:analysis*; D018857:Food Packaging; D008401:Gas Chromatography-Mass Spectrometry / Q000379:methods*; D010969:Plastics / Q000009:adverse effects*; D012984:Software; D013329:Structure-Activity Relationship
chemical_list: D010969:Plastics