Ecotoxicological Evaluation of Bisphenol A and Alternatives: A Comprehensive In Silico Modelling Approach
Bisphenol A (BPA), a compound widely used in industrial applications, has raised concerns due to its environmental impact. As a key component in the manufacture of polycarbonate plastics and epoxy resins used in many consumer products, concerns about potential harm to human health and the environmen...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
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MDPI AG
2023-11-01
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| Series: | Journal of Xenobiotics |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2039-4713/13/4/46 |
| _version_ | 1797380405795487744 |
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| author | Liadys Mora Lagares Marjan Vračko |
| author_facet | Liadys Mora Lagares Marjan Vračko |
| author_sort | Liadys Mora Lagares |
| collection | DOAJ |
| description | Bisphenol A (BPA), a compound widely used in industrial applications, has raised concerns due to its environmental impact. As a key component in the manufacture of polycarbonate plastics and epoxy resins used in many consumer products, concerns about potential harm to human health and the environment are unavoidable. This study seeks to address these concerns by evaluating a range of potential BPA alternatives, focusing on their ecotoxicological properties. The research examines 76 bisphenols, including BPA derivatives, using a variety of in silico ecotoxicological models, although it should be noted that these models were not developed exclusively for this particular class of compounds. Consequently, interpretations should be made with caution. The results of this study highlight specific compounds of potential environmental concern and underscore the need to develop more specific models for BPA alternatives that will allow for more accurate and reliable assessment. |
| first_indexed | 2024-03-08T20:36:45Z |
| format | Article |
| id | doaj.art-52fb93deaca044628c84eb352c486b6a |
| institution | Directory Open Access Journal |
| issn | 2039-4705 2039-4713 |
| language | English |
| last_indexed | 2024-03-08T20:36:45Z |
| publishDate | 2023-11-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Journal of Xenobiotics |
| spelling | doaj.art-52fb93deaca044628c84eb352c486b6a2023-12-22T14:19:43ZengMDPI AGJournal of Xenobiotics2039-47052039-47132023-11-0113471973910.3390/jox13040046Ecotoxicological Evaluation of Bisphenol A and Alternatives: A Comprehensive In Silico Modelling ApproachLiadys Mora Lagares0Marjan Vračko1Laboratory for Cheminformatics, Theory Department, National Institute of Chemistry, 1000 Ljubljana, SloveniaLaboratory for Cheminformatics, Theory Department, National Institute of Chemistry, 1000 Ljubljana, SloveniaBisphenol A (BPA), a compound widely used in industrial applications, has raised concerns due to its environmental impact. As a key component in the manufacture of polycarbonate plastics and epoxy resins used in many consumer products, concerns about potential harm to human health and the environment are unavoidable. This study seeks to address these concerns by evaluating a range of potential BPA alternatives, focusing on their ecotoxicological properties. The research examines 76 bisphenols, including BPA derivatives, using a variety of in silico ecotoxicological models, although it should be noted that these models were not developed exclusively for this particular class of compounds. Consequently, interpretations should be made with caution. The results of this study highlight specific compounds of potential environmental concern and underscore the need to develop more specific models for BPA alternatives that will allow for more accurate and reliable assessment.https://www.mdpi.com/2039-4713/13/4/46bisphenol A (BPA)BPA alternativesecotoxicity assessmentin silico modelsprincipal component analysis (PCA)environmental impact |
| spellingShingle | Liadys Mora Lagares Marjan Vračko Ecotoxicological Evaluation of Bisphenol A and Alternatives: A Comprehensive In Silico Modelling Approach Journal of Xenobiotics bisphenol A (BPA) BPA alternatives ecotoxicity assessment in silico models principal component analysis (PCA) environmental impact |
| title | Ecotoxicological Evaluation of Bisphenol A and Alternatives: A Comprehensive In Silico Modelling Approach |
| title_full | Ecotoxicological Evaluation of Bisphenol A and Alternatives: A Comprehensive In Silico Modelling Approach |
| title_fullStr | Ecotoxicological Evaluation of Bisphenol A and Alternatives: A Comprehensive In Silico Modelling Approach |
| title_full_unstemmed | Ecotoxicological Evaluation of Bisphenol A and Alternatives: A Comprehensive In Silico Modelling Approach |
| title_short | Ecotoxicological Evaluation of Bisphenol A and Alternatives: A Comprehensive In Silico Modelling Approach |
| title_sort | ecotoxicological evaluation of bisphenol a and alternatives a comprehensive in silico modelling approach |
| topic | bisphenol A (BPA) BPA alternatives ecotoxicity assessment in silico models principal component analysis (PCA) environmental impact |
| url | https://www.mdpi.com/2039-4713/13/4/46 |
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