scholarly journals GC-MS Screening for the Identification of Potential Migrants Present in Polymeric Coatings of Food Cans

Polymers ◽  
2019 ◽  
Vol 11 (12) ◽  
pp. 2086 ◽  
Author(s):  
Antía Lestido Cardama ◽  
Raquel Sendón ◽  
Juana Bustos ◽  
M. Isabel Santillana ◽  
Perfecto Paseiro Losada ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Food Packaging ◽  
Screening Method ◽  
Santiago De Compostela ◽  
Targeted Analysis ◽  
Consumer Safety ◽  
Pressure Chemical ◽  
Potential Migrant ◽  
Reflectance Ftir ◽  
Packaged Food

The coatings used in cans can release complex chemical mixtures into foodstuffs. Therefore, it is important to develop analytical methods for the identification of these potential migrant compounds in packaged food to guarantee the compliance with European food packaging legislation and ensure consumer safety. In the present work, the type of coating in a total of twelve cans collected in Santiago de Compostela (Spain) were evaluated using an ATR (attenuated total reflectance)-FTIR spectrometer. These samples were analysed after extraction with acetonitrile in order to identify potential migrants through a screening method by gas chromatography coupled to mass spectrometry (GC-MS). A total of forty-seven volatile and semi-volatile compounds were identified in these samples, including plasticizers, photoinitiators, antioxidants, lubricants, etc. Then, in a second step, a targeted analysis was carried out for the simultaneous determination of 13 compounds, including bisphenols (BPA, BPB, BPC, BPE, BPF, BPG) and BADGEs (BADGE, BADGE.H2O, BADGE.2H2O, BADGE.HCl, BADGE.2HCl, BADGE.H2O.HCl, cyclo-di-BADGE) by liquid chromatography coupled to tandem mass spectrometry (LC-MS/MS) with atmospheric pressure chemical ionisation (APCI) source. Among all the bisphenols analysed, only the bisphenol A was detected in four samples; while cyclo-di-BADGE was the predominant compound detected in all the samples analysed.

scholarly journals GC-MS Screening Analysis for the Identification of Potential Migrants in Plastic and Paper-Based Candy Wrappers

Polymers ◽  
2018 ◽  
Vol 10 (7) ◽  
pp. 802 ◽  
Author(s):  
Soraya Galmán Graíño ◽  
Raquel Sendón ◽  
Julia López Hernández ◽  
Ana Rodríguez-Bernaldo de Quirós
Keyword(s):  
Mass Spectrometry ◽  
Food Packaging ◽  
Butylated Hydroxytoluene ◽  
Packaging Materials ◽  
Irganox 1010 ◽  
Screening Analysis ◽  
Targeted Analysis ◽  
Positive List ◽  
Potential Source ◽  
Acetyl Tributyl Citrate

Food packaging materials may be a potential source of contamination through the migration of components from the material into foodstuffs. Potential migrants can be known substances such as additives (e.g., plasticizers, stabilizers, antioxidants, etc.), monomers, and so on. However, they can also be unknown substances, which could be non-intentionally added substances (NIAS). In the present study, non-targeted analysis using mass spectrometry coupled to gas chromatography (GC-MS) for the identification of migrants in plastic and paper-based candy wrappers was performed. Samples were analyzed after extraction with acetonitrile. Numerous compounds including N-alkanes, phthalates, acetyl tributyl citrate, tributyl aconitate, bis(2-ethylhexyl) adipate, butylated hydroxytoluene, etc. were identified. Many of the compounds detected in plastic samples are not included in the positive list of the authorized substances. One non-intentionally added substance, 7,9-Di-tert-butyl-1-oxaspiro(4,5)deca-6-9-diene-2,8-dione, which has been reported as a degradation product of the antioxidant Irganox 1010, was found in several samples of both plastic and paper packaging. The proposed method was shown to be a useful approach for the identification of potential migrants in packaging samples. The toxicity of the compounds identified was estimated according to Cramer rules. Then, a second targeted analysis was also conducted in order to identify photoinitiators; among the analyzed compounds, only 2-hydroxybenzophenone was found in five samples.

scholarly journals Benchmarking Non-Targeted Metabolomics Using Yeast-Derived Libraries

Metabolites ◽  
2021 ◽  
Vol 11 (3) ◽  
pp. 160
Author(s):  
Evelyn Rampler ◽  
Gerrit Hermann ◽  
Gerlinde Grabmann ◽  
Yasin El Abiead ◽  
Harald Schoeny ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Quality Control ◽  
Protein Identification ◽  
Regulatory Elements ◽  
Yeast Fermentation ◽  
Compound Identification ◽  
Targeted Metabolomics ◽  
Targeted Analysis ◽  
Orthogonal State ◽  
Starting Point

Non-targeted analysis by high-resolution mass spectrometry (HRMS) is an essential discovery tool in metabolomics. To date, standardization and validation remain a challenge. Community-wide accepted cost-effective benchmark materials are lacking. In this work, we propose yeast (Pichia pastoris) extracts derived from fully controlled fermentations for this purpose. We established an open-source metabolite library of >200 identified metabolites based on compound identification by accurate mass, matching retention times, and MS/MS, as well as a comprehensive literature search. The library includes metabolites from the classes of (1) organic acids and derivatives (2) nucleosides, nucleotides, and analogs, (3) lipids and lipid-like molecules, (4) organic oxygen compounds, (5) organoheterocyclic compounds, (6) organic nitrogen compounds, and (7) benzoids at expected concentrations ranges of sub-nM to µM. As yeast is a eukaryotic organism, key regulatory elements are highly conserved between yeast and all annotated metabolites were also reported in the human metabolome database (HMDB). Orthogonal state-of-the-art reversed-phase (RP-) and hydrophilic interaction chromatography mass spectrometry (HILIC-MS) non-targeted analysis and authentic standards revealed that 104 out of the 206 confirmed metabolites were reproducibly recovered and stable over the course of three years when stored at −80 °C. Overall, 67 out of these 104 metabolites were identified with comparably stable areas over all three yeast fermentation and are the ideal starting point for benchmarking experiments. The provided yeast benchmark material enabled not only to test for the chemical space and coverage upon method implementation and developments but also allowed in-house routines for instrumental performance tests. Transferring the quality control strategy of proteomics workflows based on the number of protein identification in HeLa extracts, metabolite IDs in the yeast benchmarking material can be used as metabolomics quality control. Finally, the benchmark material opens new avenues for batch-to-batch corrections in large-scale non-targeted metabolomics studies.

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