Chemometric Assessment and Best-Fit Function Modelling of the Toxic Potential of Selected Food Packaging Extracts
Food packaging materials constitute an ever more threatening environmental pollutant. This study examined options to specifically assess the ecotoxicity of packaged wastes, such as cans, subjected to various experimental treatments (in terms of extraction media, time of exposure, and temperature) th...
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doaj-838cf9d318594f94bcb3250c400560b12020-11-24T21:11:06ZengMDPI AGMolecules1420-30492018-11-012311302810.3390/molecules23113028molecules23113028Chemometric Assessment and Best-Fit Function Modelling of the Toxic Potential of Selected Food Packaging ExtractsBłażej Kudłak0Natalia Szczepańska1Miroslava Nedyalkova2Vasil Simeonov3Jacek Namieśnik4Department of Analytical Chemistry, Faculty of Chemistry, Gdańsk University of Technology, 11/12 Narutowicza, 80-233 Gdańsk, PolandDepartment of Analytical Chemistry, Faculty of Chemistry, Gdańsk University of Technology, 11/12 Narutowicza, 80-233 Gdańsk, PolandChair of Inorganic Chemistry, Faculty of Chemistry and Pharmacy, University of Sofia “St. Kl. Okhridski”, 1, J. Bourchier Blvd., 1164 Sofia, BulgariaChair of Analytical Chemistry, Faculty of Chemistry and Pharmacy, University of Sofia “St. Kl. Okhridski”, 1, J. Bourchier Blvd., 1164 Sofia, BulgariaDepartment of Analytical Chemistry, Faculty of Chemistry, Gdańsk University of Technology, 11/12 Narutowicza, 80-233 Gdańsk, PolandFood packaging materials constitute an ever more threatening environmental pollutant. This study examined options to specifically assess the ecotoxicity of packaged wastes, such as cans, subjected to various experimental treatments (in terms of extraction media, time of exposure, and temperature) that imitate several basic conditions of the process of food production. The extracts were studied for their ecotoxicity with bioluminescent <i>Vibrio fischeri</i> bacteria. The first objective of this study was to find patterns of similarity between different experimental conditions; we used multivariate statistical methods, such as hierarchical cluster analysis, to interpret the impact of experimental conditions on the ecotoxicity signals of the package extracts. Our second objective was to apply best-fit function modelling for additional data interpretation, taking into account, that ecotoxicity for various temperature conditions is time- and temperature dependent. We mathematically confirmed that chemometric data treatment allows for better understanding how different experimental conditions imitating the real use of food packaging. We also demonstrate that the level of ecotoxicity depends on different extraction media, time of exposure, and temperature regime.https://www.mdpi.com/1420-3049/23/11/3028food packagingcanned foodecotoxicityassessment of extractschemometricsbest-fit function |
collection |
DOAJ |
language |
English |
format |
Article |
sources |
DOAJ |
author |
Błażej Kudłak Natalia Szczepańska Miroslava Nedyalkova Vasil Simeonov Jacek Namieśnik |
spellingShingle |
Błażej Kudłak Natalia Szczepańska Miroslava Nedyalkova Vasil Simeonov Jacek Namieśnik Chemometric Assessment and Best-Fit Function Modelling of the Toxic Potential of Selected Food Packaging Extracts Molecules food packaging canned food ecotoxicity assessment of extracts chemometrics best-fit function |
author_facet |
Błażej Kudłak Natalia Szczepańska Miroslava Nedyalkova Vasil Simeonov Jacek Namieśnik |
author_sort |
Błażej Kudłak |
title |
Chemometric Assessment and Best-Fit Function Modelling of the Toxic Potential of Selected Food Packaging Extracts |
title_short |
Chemometric Assessment and Best-Fit Function Modelling of the Toxic Potential of Selected Food Packaging Extracts |
title_full |
Chemometric Assessment and Best-Fit Function Modelling of the Toxic Potential of Selected Food Packaging Extracts |
title_fullStr |
Chemometric Assessment and Best-Fit Function Modelling of the Toxic Potential of Selected Food Packaging Extracts |
title_full_unstemmed |
Chemometric Assessment and Best-Fit Function Modelling of the Toxic Potential of Selected Food Packaging Extracts |
title_sort |
chemometric assessment and best-fit function modelling of the toxic potential of selected food packaging extracts |
publisher |
MDPI AG |
series |
Molecules |
issn |
1420-3049 |
publishDate |
2018-11-01 |
description |
Food packaging materials constitute an ever more threatening environmental pollutant. This study examined options to specifically assess the ecotoxicity of packaged wastes, such as cans, subjected to various experimental treatments (in terms of extraction media, time of exposure, and temperature) that imitate several basic conditions of the process of food production. The extracts were studied for their ecotoxicity with bioluminescent <i>Vibrio fischeri</i> bacteria. The first objective of this study was to find patterns of similarity between different experimental conditions; we used multivariate statistical methods, such as hierarchical cluster analysis, to interpret the impact of experimental conditions on the ecotoxicity signals of the package extracts. Our second objective was to apply best-fit function modelling for additional data interpretation, taking into account, that ecotoxicity for various temperature conditions is time- and temperature dependent. We mathematically confirmed that chemometric data treatment allows for better understanding how different experimental conditions imitating the real use of food packaging. We also demonstrate that the level of ecotoxicity depends on different extraction media, time of exposure, and temperature regime. |
topic |
food packaging canned food ecotoxicity assessment of extracts chemometrics best-fit function |
url |
https://www.mdpi.com/1420-3049/23/11/3028 |
work_keys_str_mv |
AT błazejkudłak chemometricassessmentandbestfitfunctionmodellingofthetoxicpotentialofselectedfoodpackagingextracts AT nataliaszczepanska chemometricassessmentandbestfitfunctionmodellingofthetoxicpotentialofselectedfoodpackagingextracts AT miroslavanedyalkova chemometricassessmentandbestfitfunctionmodellingofthetoxicpotentialofselectedfoodpackagingextracts AT vasilsimeonov chemometricassessmentandbestfitfunctionmodellingofthetoxicpotentialofselectedfoodpackagingextracts AT jaceknamiesnik chemometricassessmentandbestfitfunctionmodellingofthetoxicpotentialofselectedfoodpackagingextracts |
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1716754533493768192 |