1. An untargeted evaluation of food contact materials by flow injection analysis-mass spectrometry (FIA-MS) combined with independent components analysis (ICA)
- Author
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Jacqueline Maalouly, Estelle Rathahao-Paris, Baninia Habchi, Yann Padellec, Sandra Alves, Amine Kassouf, Violette Ducruet, Douglas N. Rutledge, Ingénierie, Procédés, Aliments (GENIAL), Institut National de la Recherche Agronomique (INRA)-AgroParisTech, Institut Parisien de Chimie Moléculaire (IPCM), Chimie Moléculaire de Paris Centre (FR 2769), École normale supérieure - Paris (ENS Paris)-Université Pierre et Marie Curie - Paris 6 (UPMC)-Ecole Nationale Supérieure de Chimie de Paris- Chimie ParisTech-PSL (ENSCP)-ESPCI ParisTech-Centre National de la Recherche Scientifique (CNRS)-École normale supérieure - Paris (ENS Paris)-Université Pierre et Marie Curie - Paris 6 (UPMC)-Ecole Nationale Supérieure de Chimie de Paris- Chimie ParisTech-PSL (ENSCP)-ESPCI ParisTech-Centre National de la Recherche Scientifique (CNRS)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS), Lebanese Food Packaging [Université libanaise] (ER004 ), Université Libanaise, Lebanese National Council for Scientific Research (CNRS-L), Doctoral School of Science and Technology (EDST) in the Lebanese University, Region Ile-de-France, Dim Analytics, Université Pierre et Marie Curie - Paris 6 (UPMC)-ESPCI ParisTech-Ecole Nationale Supérieure de Chimie de Paris- Chimie ParisTech-PSL (ENSCP)-Centre National de la Recherche Scientifique (CNRS)-École normale supérieure - Paris (ENS Paris)-Université Pierre et Marie Curie - Paris 6 (UPMC)-ESPCI ParisTech-Ecole Nationale Supérieure de Chimie de Paris- Chimie ParisTech-PSL (ENSCP)-Centre National de la Recherche Scientifique (CNRS)-École normale supérieure - Paris (ENS Paris)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS), Institut de Chimie du CNRS (INC)-École normale supérieure - Paris (ENS Paris), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Centre National de la Recherche Scientifique (CNRS)-Ecole Nationale Supérieure de Chimie de Paris - Chimie ParisTech-PSL (ENSCP), Université Paris sciences et lettres (PSL)-Ecole Superieure de Physique et de Chimie Industrielles de la Ville de Paris (ESPCI Paris), Université Paris sciences et lettres (PSL)-Université Pierre et Marie Curie - Paris 6 (UPMC)-Institut de Chimie du CNRS (INC)-École normale supérieure - Paris (ENS Paris), Université Paris sciences et lettres (PSL)-Université Pierre et Marie Curie - Paris 6 (UPMC)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS), Ingénierie Procédés Aliments ( GENIAL ), Institut National de la Recherche Agronomique ( INRA ) -AgroParisTech-Conservatoire National des Arts et Métiers [CNAM] ( CNAM ), Institut Parisien de Chimie Moléculaire ( IPCM ), Université Pierre et Marie Curie - Paris 6 ( UPMC ) -Centre National de la Recherche Scientifique ( CNRS ), Centre National de la Recherche Scientifique ( CNRS ), ER 004 Lebanese Food Packaging, Faculty of Sciences II, and Lebanese University
- Subjects
Food contact materials ,Statistics as Topic ,Independent components analysis ,Food Contamination ,Context (language use) ,02 engineering and technology ,Mass spectrometry ,High resolution mass spectrometry ,01 natural sciences ,Biochemistry ,Mass Spectrometry ,Food safety ,Analytical Chemistry ,Food packaging ,Flow injection analysis ,[CHIM.ANAL]Chemical Sciences/Analytical chemistry ,Environmental Chemistry ,Potential source ,Chemometrics ,Spectroscopy ,Chemistry ,Direct method ,010401 analytical chemistry ,Life time ,Analytic Sample Preparation Methods ,Non-intentionally added substances ,021001 nanoscience & nanotechnology ,Independent component analysis ,0104 chemical sciences ,[ CHIM.POLY ] Chemical Sciences/Polymers ,[CHIM.POLY]Chemical Sciences/Polymers ,[ CHIM.ANAL ] Chemical Sciences/Analytical chemistry ,0210 nano-technology ,Biological system ,Food Analysis - Abstract
Article in press, corrected proof; Food contact materials (FCMs), especially plastics, are known to be a potential source of contaminants in food. In fact, various groups of additives are used to protect the integrity of the material during processing and life time. However, these intentionally added substances (IAS) could also lead to degradation products called non-intentionally added substances (NIAS), due to reactions occurring in the polymeric material. Complex mixtures of components may therefore be generated within the material, creating a source of potential migrating substances towards food in contact. In this context, an innovative analytical approach is proposed in order to assess IAS and NIAS in plastic FCMs for a fast screening of their composition. For this purpose, solvent extracts of polyethylene (PE) pellets, containers and films were analyzed by flow injection analysis-mass spectrometry (FIA-MS). This direct approach offers the ability to perform a large number of analyses in a short time. Mass spectral fingerprints were then treated by a multivariate data analysis technique called independent components analysis (ICA) in order to overcome the complexity of such data and to highlight hidden information related to IAS and NIAS molecules. ICA applied on mass spectral fingerprints of PE extracts highlighted group discriminations related to different m/z values which were putatively assigned to IAS and also to NIAS. In order to confirm these putative annotations, a hybrid LTQ-Orbitrap was used for high resolution mass spectrometry analysis. Moreover, MS/MS experiments were performed on some discriminant ions to improve their putative identification. The proposed methodology combining FIA-MS fingerprints and ICA proved its efficiency in identifying IAS and NIAS in plastic FCMs and its capability to discriminate different PE samples, in a relatively fast approach compared to classical analytical techniques. This approach may help the FCMs classification for compounders in the selection of the starting substances in plastic formulation and for plastic converters in the control of manufacturing processes as well as for the monitoring of final products.
- Published
- 2018