Chemometric tools to highlight non-intentionally added substances (NIAS) in polyethylene terephthalate (PET).
In an effort to identify non-intentionally added substances (NIAS), which is still a challenging task for analytical chemists, PET pellets, preforms and bottles were analyzed by an optimized headspace solid phase microextraction coupled to gas chromatography-mass spectrometry (HS-SPME/GC-MS). Fingerprints obtained by the proposed method were analyzed by three chemometric tools: Principal Components Analysis (PCA), Independent Components Analysis (ICA) and a multi-block method (Common Components and Specific Weights Analysis CCSWA) in order to extract pertinent variations in NIAS concentrations. Total ion current (TIC) chromatograms were used for PCA and ICA while extracted ion chromatograms (EIC) were used for CCSWA, each ion corresponding to a block. PCA managed to discriminate pellets and preforms from bottles due to several NIAS. Volatiles like 2-methyl-1,3-dioxolane, ethylene glycol, ethylbenzene and xylene were responsible for the discrimination of pellets and preforms. Less volatile compounds like linear aldehydes and phthalates were responsible for the discrimination of bottles. ICA showed more specific discriminations especially for bottles and pellets while CCSWA managed to discriminate preforms. The proposed methodology, combining HS-SPME/GC-MS with chemometric tools proved its efficiency in highlighting NIAS in PET samples in a relatively simple and fast approach compared to classical techniques.
ER004 "Lebanese Food Packaging", Faculty of Sciences II, Lebanese University, 90656 Jdeideth El Matn, Fanar, Lebanon; INRA, UMR 1145 Ingénierie Procédés Aliments, 1 Avenue des Olympiades, 91300 Massy, France; AgroParisTech, UMR 1145 Ingénierie Procédés Aliments, 16 rue Claude Bernard, 75005 Paris, France.
Amine
A
Kassouf
Jacqueline
J
Maalouly
Hanna
H
Chebib
Douglas N
DN
Rutledge
Violette
V
Ducruet
D001628:Beverages; D005163:Factor Analysis, Statistical; D005506:Food Contamination / Q000032:analysis; D018857:Food Packaging; D008401:Gas Chromatography-Mass Spectrometry; D006801:Humans; D010938:Plant Oils; D011093:Polyethylene Terephthalates / Q000032:analysis*; D025341:Principal Component Analysis; D052617:Solid Phase Microextraction; D055549:Volatile Organic Compounds / Q000032:analysis*
D010938:Plant Oils; D011093:Polyethylene Terephthalates; D055549:Volatile Organic Compounds
Common Components and Specific Weights Analysis (CCSWA); HS–SPME/GC–MS; Independent Components Analysis (ICA); NIAS; PET; Principal Components Analysis (PCA)