Dataset Information

Analysis of PBT and PET cyclic oligomers in extracts of coffee capsules and food simulants by a HPLC-UV/FLD method.

ABSTRACT: A HPLC-UV/FLD method was validated for the quantification of six polyethylene terephthalate (PET) and four polybutylene terephthalate (PBT) oligomers. PBT oligomers are EU regulated, while the PET ones are considered non-intentionally added substances (NIAS). LOQs were higher than 0.4 and 3.5 μg kg^-1 for the simulants and in the polymer extracts, respectively. Recoveries ranged from 95 to 114 % with RSDs below 12%. Migration testing of PBT and polypropylene coffee capsules were performed with H₂O and simulant C, and extracts were obtained with accelerated solvent extraction (ASE). For the latter legislative limits weren't surpassed. As no migration limits are existing for the analytes, both EFSA's toxicological threshold of concern (TTC) and sum of oligomers approaches were applied. The majority of oligomers were below the TTC (90 µg/person/day), but the limit value of 50 µg/kg food was surpassed for some capsules, which indicates a significant intake in both single and multiple consumption.

SUBMITTER: Alberto Lopes J

PROVIDER: S-EPMC7896039 | biostudies-literature | 2021 May

REPOSITORIES: biostudies-literature

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Analysis of PBT and PET cyclic oligomers in extracts of coffee capsules and food simulants by a HPLC-UV/FLD method.

Alberto Lopes Joao J Tsochatzis Emmanouil D ED Karasek Lubomir L Hoekstra Eddo J EJ Emons Hendrik H

Food chemistry 20201208

A HPLC-UV/FLD method was validated for the quantification of six polyethylene terephthalate (PET) and four polybutylene terephthalate (PBT) oligomers. PBT oligomers are EU regulated, while the PET ones are considered non-intentionally added substances (NIAS). LOQs were higher than 0.4 and 3.5 μg kg<sup>-1</sup> for the simulants and in the polymer extracts, respectively. Recoveries ranged from 95 to 114 % with RSDs below 12%. Migration testing of PBT and polypropylene coffee capsules were perfor ...[more]

PMID: 33333359

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Project description:Coffee is one of the top ten most adulterated foods. Coffee adulterations are mainly performed by mixing other low-value materials into coffee beans after roasting and grinding, such as spent coffee grounds, maize, soybeans and other grain products. The detection of adulterated coffee by high performance liquid chromatography (HPLC) is recognized as a targeted analytical method, which carbohydrates and other phenolic compounds are usually used as markers. However, the accurate qualitation and quantitation of HPLC analyses are time consuming. This study developed a chemometric analysis or called non-targeted analysis for coffee adulteration. The HPLC chromatograms were obtained by direct injection of liquid coffee into HPLC without sample preparation and the identification of target analytes. The distinction between coffee and adulterated coffee was achieved by statistical method. The HPLC-based chemometric provided more characteristic information (separated compounds) compared to photospectroscopy chemometric which only provide information of functional groups. In this study, green Arabica coffee beans, soybeans and green mung beans were roasted in industrial coffee bean roaster and then ground. Spent coffee ground was dried. Coffee and adulterants were mixed at different ratio before conducting HPLC analysis. Principal component analysis (PCA) toward HPLC data (retention time and peak intensity) was able to separate coffee from adulterated coffee. The detection limit of this method was 5%. Two models were built based on PCA data as well. The first model was used to differentiate coffee sample from adulterated coffee. The second model was designed to identify the specific adulterants mixed in the adulterated coffee. Various parameters such as sensitivity (SE), specificity (SP), reliability rate (RLR), positive likelihood (+LR) and negative likelihood (-LR) were applied to evaluate the performances of the designed models. The results showed that PCA-based models were able to discriminate pure coffee from adulterated sample (coffee beans adulterated with 5%-60% of soybeans, green mung beans or spent coffee grounds). The SE, SP, RLR, +LR and -LR for the first model were 0.875, 0.938, 0.813, 14.1 and 0.133, respectively. In the second model, it can correctly distinguish the adulterated coffee from the pure coffee. However, it had only about a 30% chance to correctly determine the specific adulterant out of three designed adulterants mixed into coffee. The SE, RLR and -LR were 0.333, 0.333 and 0.667, respectively, for the second model. Therefore, HPLC-based chemometric analysis was able to detect coffee adulteration. It was very reliable on the discrimination of coffee from adulterated coffee. However, it may need more work to tell discern which kind adulterant in the adulterated coffee.

Dataset Information

Analysis of PBT and PET cyclic oligomers in extracts of coffee capsules and food simulants by a HPLC-UV/FLD method.

Publications

Analysis of PBT and PET cyclic oligomers in extracts of coffee capsules and food simulants by a HPLC-UV/FLD method.

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