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Agent-based modelling of iron cycling bacteria provides a framework for testing alternative environmental conditions and modes of action

Iron-reducing and iron-oxidizing bacteria are of interest in a variety of environmental and industrial applications. Such bacteria often co-occur at oxic-anoxic gradients in aquatic and terrestrial habitats. In this paper, we present the first computational agent-based model of microbial iron cyclin...

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Autores principales: Then, Andre, Ewald, Jan, Söllner, Natalie, Cooper, Rebecca E., Küsel, Kirsten, Ibrahim, Bashar, Schuster, Stefan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9115035/
https://www.ncbi.nlm.nih.gov/pubmed/35620008
http://dx.doi.org/10.1098/rsos.211553
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author Then, Andre
Ewald, Jan
Söllner, Natalie
Cooper, Rebecca E.
Küsel, Kirsten
Ibrahim, Bashar
Schuster, Stefan
author_facet Then, Andre
Ewald, Jan
Söllner, Natalie
Cooper, Rebecca E.
Küsel, Kirsten
Ibrahim, Bashar
Schuster, Stefan
author_sort Then, Andre
collection PubMed
description Iron-reducing and iron-oxidizing bacteria are of interest in a variety of environmental and industrial applications. Such bacteria often co-occur at oxic-anoxic gradients in aquatic and terrestrial habitats. In this paper, we present the first computational agent-based model of microbial iron cycling, between the anaerobic ferric iron (Fe(3+))-reducing bacteria Shewanella spp. and the microaerophilic ferrous iron (Fe(2+))-oxidizing bacteria Sideroxydans spp. By including the key processes of reduction/oxidation, movement, adhesion, Fe(2+)-equilibration and nanoparticle formation, we derive a core model which enables hypothesis testing and prediction for different environmental conditions including temporal cycles of oxic and anoxic conditions. We compared (i) combinations of different Fe(3+)-reducing/Fe(2+)-oxidizing modes of action of the bacteria and (ii) system behaviour for different pH values. We predicted that the beneficial effect of a high number of iron-nanoparticles on the total Fe(3+) reduction rate of the system is not only due to the faster reduction of these iron-nanoparticles, but also to the nanoparticles’ additional capacity to bind Fe(2+) on their surfaces. Efficient iron-nanoparticle reduction is confined to pH around 6, being twice as high than at pH 7, whereas at pH 5 negligible reduction takes place. Furthermore, in accordance with experimental evidence our model showed that shorter oxic/anoxic periods exhibit a faster increase of total Fe(3+) reduction rate than longer periods.
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spelling pubmed-91150352022-05-25 Agent-based modelling of iron cycling bacteria provides a framework for testing alternative environmental conditions and modes of action Then, Andre Ewald, Jan Söllner, Natalie Cooper, Rebecca E. Küsel, Kirsten Ibrahim, Bashar Schuster, Stefan R Soc Open Sci Biochemistry, Cellular and Molecular Biology Iron-reducing and iron-oxidizing bacteria are of interest in a variety of environmental and industrial applications. Such bacteria often co-occur at oxic-anoxic gradients in aquatic and terrestrial habitats. In this paper, we present the first computational agent-based model of microbial iron cycling, between the anaerobic ferric iron (Fe(3+))-reducing bacteria Shewanella spp. and the microaerophilic ferrous iron (Fe(2+))-oxidizing bacteria Sideroxydans spp. By including the key processes of reduction/oxidation, movement, adhesion, Fe(2+)-equilibration and nanoparticle formation, we derive a core model which enables hypothesis testing and prediction for different environmental conditions including temporal cycles of oxic and anoxic conditions. We compared (i) combinations of different Fe(3+)-reducing/Fe(2+)-oxidizing modes of action of the bacteria and (ii) system behaviour for different pH values. We predicted that the beneficial effect of a high number of iron-nanoparticles on the total Fe(3+) reduction rate of the system is not only due to the faster reduction of these iron-nanoparticles, but also to the nanoparticles’ additional capacity to bind Fe(2+) on their surfaces. Efficient iron-nanoparticle reduction is confined to pH around 6, being twice as high than at pH 7, whereas at pH 5 negligible reduction takes place. Furthermore, in accordance with experimental evidence our model showed that shorter oxic/anoxic periods exhibit a faster increase of total Fe(3+) reduction rate than longer periods. The Royal Society 2022-05-18 /pmc/articles/PMC9115035/ /pubmed/35620008 http://dx.doi.org/10.1098/rsos.211553 Text en © 2022 The Authors. https://creativecommons.org/licenses/by/4.0/Published by the Royal Society under the terms of the Creative Commons Attribution License http://creativecommons.org/licenses/by/4.0/ (https://creativecommons.org/licenses/by/4.0/) , which permits unrestricted use, provided the original author and source are credited.
spellingShingle Biochemistry, Cellular and Molecular Biology
Then, Andre
Ewald, Jan
Söllner, Natalie
Cooper, Rebecca E.
Küsel, Kirsten
Ibrahim, Bashar
Schuster, Stefan
Agent-based modelling of iron cycling bacteria provides a framework for testing alternative environmental conditions and modes of action
title Agent-based modelling of iron cycling bacteria provides a framework for testing alternative environmental conditions and modes of action
title_full Agent-based modelling of iron cycling bacteria provides a framework for testing alternative environmental conditions and modes of action
title_fullStr Agent-based modelling of iron cycling bacteria provides a framework for testing alternative environmental conditions and modes of action
title_full_unstemmed Agent-based modelling of iron cycling bacteria provides a framework for testing alternative environmental conditions and modes of action
title_short Agent-based modelling of iron cycling bacteria provides a framework for testing alternative environmental conditions and modes of action
title_sort agent-based modelling of iron cycling bacteria provides a framework for testing alternative environmental conditions and modes of action
topic Biochemistry, Cellular and Molecular Biology
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9115035/
https://www.ncbi.nlm.nih.gov/pubmed/35620008
http://dx.doi.org/10.1098/rsos.211553
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