title: Determination of key diffusion and partition parameters and their use in migration modelling of benzophenone from low-density polyethylene (LDPE) into different foodstuffs.
abstract: The mass transport process (migration) of a model substance, benzophenone (BZP), from LDPE into selected foodstuffs at three temperatures was studied. A mathematical model based on Fick's Second Law of Diffusion was used to simulate the migration process and a good correlation between experimental and predicted values was found. The acquired results contribute to a better understanding of this phenomenon and the parameters so-derived were incorporated into the migration module of the recently launched FACET tool (Flavourings, Additives and Food Contact Materials Exposure Tool). The migration tests were carried out at different time-temperature conditions, and BZP was extracted from LDPE and analysed by HPLC-DAD. With all data, the parameters for migration modelling (diffusion and partition coefficients) were calculated. Results showed that the diffusion coefficients (within both the polymer and the foodstuff) are greatly affected by the temperature and food's physical state, whereas the partition coefficient was affected significantly only by food characteristics, particularly fat content.
authors.affiliation: a Department of Analytical Chemistry, Nutrition and Bromatology, Faculty of Pharmacy , University of Santiago de Compostela , Santiago de Compostela , Spain.
authors.forename: Joaquim
authors.initials: J
authors.lastname: Maia
authors.affiliation: a Department of Analytical Chemistry, Nutrition and Bromatology, Faculty of Pharmacy , University of Santiago de Compostela , Santiago de Compostela , Spain.
authors.forename: Ana
authors.initials: A
authors.lastname: Rodríguez-Bernaldo de Quirós
authors.affiliation: a Department of Analytical Chemistry, Nutrition and Bromatology, Faculty of Pharmacy , University of Santiago de Compostela , Santiago de Compostela , Spain.
authors.forename: Raquel
authors.initials: R
authors.lastname: Sendón
authors.affiliation: b Industrial Engineering School , University of Vigo , Vigo , Spain.
authors.forename: José Manuel
authors.initials: JM
authors.lastname: Cruz
authors.affiliation: c Fraunhofer Institute for Process Engineering and Packaging IVV , Freising , Germany.
authors.forename: Annika
authors.initials: A
authors.lastname: Seiler
authors.affiliation: c Fraunhofer Institute for Process Engineering and Packaging IVV , Freising , Germany.
authors.forename: Roland
authors.initials: R
authors.lastname: Franz
authors.affiliation: d European Commission, DG Joint Research Centre , Institute for Health and Consumer Protection, Unit Chemical Assessment and Testing , Ispra (Va) , Italy.
authors.forename: Catherine
authors.initials: C
authors.lastname: Simoneau
authors.affiliation: e The Food and Environment Research Agency , Department for Environment, Food and Rural Affairs , York , UK.
authors.forename: Laurence
authors.initials: L
authors.lastname: Castle
authors.affiliation: e The Food and Environment Research Agency , Department for Environment, Food and Rural Affairs , York , UK.
authors.forename: Malcolm
authors.initials: M
authors.lastname: Driffield
authors.affiliation: f Fabes Forschungs GmbH , Munich , Germany.
authors.forename: Peter
authors.initials: P
authors.lastname: Mercea
authors.affiliation: g Valspar Corporation, Witney , Oxon , UK.
authors.forename: Peter
authors.initials: P
authors.lastname: Oldring
authors.affiliation: h National Institute for Research and Development of Molecular and Isotopic Technologies , Cluj-Napoca , Romania.
authors.forename: Valer
authors.initials: V
authors.lastname: Tosa
authors.affiliation: a Department of Analytical Chemistry, Nutrition and Bromatology, Faculty of Pharmacy , University of Santiago de Compostela , Santiago de Compostela , Spain.
authors.forename: Perfecto
authors.initials: P
authors.lastname: Paseiro
mesh_terms: D001577:Benzophenones / Q000737:chemistry*; D004058:Diffusion; D005506:Food Contamination / Q000032:analysis*; D018857:Food Packaging; D008956:Models, Chemical; D020959:Polyethylene / Q000737:chemistry*
chemical_list: D001577:Benzophenones; C047723:benzophenone; D020959:Polyethylene
keywords: Benzophenone; FACET; LDPE; diffusion coefficient; mathematical modelling; migration; partition coefficient