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Systematic Handling of Environmental Fate Data for Model Development—Illustrated for the Case of Biodegradation Half-Life Data
[Image: see text] The assessment of environmental hazard indicators such as persistence, mobility, toxicity, or bioaccumulation of chemicals often results in highly variable experimental outcomes. Persistence is particularly affected due to a multitude of influencing environmental factors, with biod...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2023
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10569042/ https://www.ncbi.nlm.nih.gov/pubmed/37840818 http://dx.doi.org/10.1021/acs.estlett.3c00526 |
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author | Hafner, Jasmin Fenner, Kathrin Scheidegger, Andreas |
author_facet | Hafner, Jasmin Fenner, Kathrin Scheidegger, Andreas |
author_sort | Hafner, Jasmin |
collection | PubMed |
description | [Image: see text] The assessment of environmental hazard indicators such as persistence, mobility, toxicity, or bioaccumulation of chemicals often results in highly variable experimental outcomes. Persistence is particularly affected due to a multitude of influencing environmental factors, with biodegradation experiments resulting in half-lives spanning several orders of magnitude. Also, half-lives may lie beyond the limits of reliable half-life quantification, and the number of available data points per substance may vary considerably, requiring a statistically robust approach for the characterization of data. Here, we apply Bayesian inference to address these challenges and characterize the distributions of reported soil half-lives. Our model estimates the mean, standard deviation, and corresponding uncertainties from a set of reported half-lives experimentally obtained for a single substance. We apply our inference model to 893 pesticides and pesticide transformation products with experimental soil half-lives of varying data quantity and quality, and we infer the half-life distribution for each compound. By estimating average half-lives, their experimental variability, and the uncertainty of the estimations, we provide a reliable data source for building predictive models, which are urgently needed by regulatory authorities to manage existing chemicals and by industry to design benign, nonpersistent chemicals. Our approach can be readily adapted for other environmental hazard indicators. |
format | Online Article Text |
id | pubmed-10569042 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2023 |
publisher | American Chemical Society |
record_format | MEDLINE/PubMed |
spelling | pubmed-105690422023-10-13 Systematic Handling of Environmental Fate Data for Model Development—Illustrated for the Case of Biodegradation Half-Life Data Hafner, Jasmin Fenner, Kathrin Scheidegger, Andreas Environ Sci Technol Lett [Image: see text] The assessment of environmental hazard indicators such as persistence, mobility, toxicity, or bioaccumulation of chemicals often results in highly variable experimental outcomes. Persistence is particularly affected due to a multitude of influencing environmental factors, with biodegradation experiments resulting in half-lives spanning several orders of magnitude. Also, half-lives may lie beyond the limits of reliable half-life quantification, and the number of available data points per substance may vary considerably, requiring a statistically robust approach for the characterization of data. Here, we apply Bayesian inference to address these challenges and characterize the distributions of reported soil half-lives. Our model estimates the mean, standard deviation, and corresponding uncertainties from a set of reported half-lives experimentally obtained for a single substance. We apply our inference model to 893 pesticides and pesticide transformation products with experimental soil half-lives of varying data quantity and quality, and we infer the half-life distribution for each compound. By estimating average half-lives, their experimental variability, and the uncertainty of the estimations, we provide a reliable data source for building predictive models, which are urgently needed by regulatory authorities to manage existing chemicals and by industry to design benign, nonpersistent chemicals. Our approach can be readily adapted for other environmental hazard indicators. American Chemical Society 2023-09-26 /pmc/articles/PMC10569042/ /pubmed/37840818 http://dx.doi.org/10.1021/acs.estlett.3c00526 Text en © 2023 The Authors. Published by American Chemical Society https://creativecommons.org/licenses/by/4.0/Permits the broadest form of re-use including for commercial purposes, provided that author attribution and integrity are maintained (https://creativecommons.org/licenses/by/4.0/). |
spellingShingle | Hafner, Jasmin Fenner, Kathrin Scheidegger, Andreas Systematic Handling of Environmental Fate Data for Model Development—Illustrated for the Case of Biodegradation Half-Life Data |
title | Systematic Handling of Environmental Fate Data for
Model Development—Illustrated for the Case of Biodegradation
Half-Life Data |
title_full | Systematic Handling of Environmental Fate Data for
Model Development—Illustrated for the Case of Biodegradation
Half-Life Data |
title_fullStr | Systematic Handling of Environmental Fate Data for
Model Development—Illustrated for the Case of Biodegradation
Half-Life Data |
title_full_unstemmed | Systematic Handling of Environmental Fate Data for
Model Development—Illustrated for the Case of Biodegradation
Half-Life Data |
title_short | Systematic Handling of Environmental Fate Data for
Model Development—Illustrated for the Case of Biodegradation
Half-Life Data |
title_sort | systematic handling of environmental fate data for
model development—illustrated for the case of biodegradation
half-life data |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10569042/ https://www.ncbi.nlm.nih.gov/pubmed/37840818 http://dx.doi.org/10.1021/acs.estlett.3c00526 |
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