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...

Full description

Bibliographic Details
Main Authors: Błażej Kudłak, Natalia Szczepańska, Miroslava Nedyalkova, Vasil Simeonov, Jacek Namieśnik
Format: Article
Language:English
Published: MDPI AG 2018-11-01
Series:Molecules
Subjects:
Online Access:https://www.mdpi.com/1420-3049/23/11/3028
id doaj-838cf9d318594f94bcb3250c400560b1
record_format Article
spelling 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
_version_ 1716754533493768192