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Numerical and experimental investigation of multi-species bacterial co-aggregation

This paper deals with the mathematical modeling of bacterial co-aggregation and its numerical implementation in a FEM framework. Since the concept of co-aggregation refers to the physical binding between cells of different microbial species, a system composed of two species is considered in the mode...

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Autores principales: Soleimani, Meisam, Szafranski, Szymon P., Qu, Taoran, Mukherjee, Rumjhum, Stiesch, Meike, Wriggers, Peter, Junker, Philipp
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10363141/
https://www.ncbi.nlm.nih.gov/pubmed/37481628
http://dx.doi.org/10.1038/s41598-023-38806-2
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author Soleimani, Meisam
Szafranski, Szymon P.
Qu, Taoran
Mukherjee, Rumjhum
Stiesch, Meike
Wriggers, Peter
Junker, Philipp
author_facet Soleimani, Meisam
Szafranski, Szymon P.
Qu, Taoran
Mukherjee, Rumjhum
Stiesch, Meike
Wriggers, Peter
Junker, Philipp
author_sort Soleimani, Meisam
collection PubMed
description This paper deals with the mathematical modeling of bacterial co-aggregation and its numerical implementation in a FEM framework. Since the concept of co-aggregation refers to the physical binding between cells of different microbial species, a system composed of two species is considered in the modeling framework. The extension of the model to an arbitrary number of species is straightforward. In addition to two-species (multi-species growth) dynamics, the transport of a nutritional substance and the extent of co-aggregation are introduced into the model as the third and fourth primary variables. A phase-field modeling approach is employed to describe the co-aggregation between the two species. The mathematical model is three-dimensional and fully based on the continuum description of the problem without any need for discrete agents which are the key elements of the individual-based modeling approach. It is shown that the use of a phase-field-based model is equivalent to a particular form of classical diffusion-reaction systems. Unlike the so-called mixture models, the evolution of each component of the multi-species system is captured thanks to the inherent capability of phase-field modeling in treating systems consisting of distinct multi-phases. The details of numerical implementation in a FEM framework are also presented. Indeed, a new multi-field user element is developed and implemented in ANSYS for this multiphysics problem. Predictions of the model are compared with the experimental observations. By that, the versatility and applicability of the model and the numerical tool are well established.
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spelling pubmed-103631412023-07-24 Numerical and experimental investigation of multi-species bacterial co-aggregation Soleimani, Meisam Szafranski, Szymon P. Qu, Taoran Mukherjee, Rumjhum Stiesch, Meike Wriggers, Peter Junker, Philipp Sci Rep Article This paper deals with the mathematical modeling of bacterial co-aggregation and its numerical implementation in a FEM framework. Since the concept of co-aggregation refers to the physical binding between cells of different microbial species, a system composed of two species is considered in the modeling framework. The extension of the model to an arbitrary number of species is straightforward. In addition to two-species (multi-species growth) dynamics, the transport of a nutritional substance and the extent of co-aggregation are introduced into the model as the third and fourth primary variables. A phase-field modeling approach is employed to describe the co-aggregation between the two species. The mathematical model is three-dimensional and fully based on the continuum description of the problem without any need for discrete agents which are the key elements of the individual-based modeling approach. It is shown that the use of a phase-field-based model is equivalent to a particular form of classical diffusion-reaction systems. Unlike the so-called mixture models, the evolution of each component of the multi-species system is captured thanks to the inherent capability of phase-field modeling in treating systems consisting of distinct multi-phases. The details of numerical implementation in a FEM framework are also presented. Indeed, a new multi-field user element is developed and implemented in ANSYS for this multiphysics problem. Predictions of the model are compared with the experimental observations. By that, the versatility and applicability of the model and the numerical tool are well established. Nature Publishing Group UK 2023-07-22 /pmc/articles/PMC10363141/ /pubmed/37481628 http://dx.doi.org/10.1038/s41598-023-38806-2 Text en © The Author(s) 2023 https://creativecommons.org/licenses/by/4.0/Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons licence, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons licence and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this licence, visit http://creativecommons.org/licenses/by/4.0/ (https://creativecommons.org/licenses/by/4.0/) .
spellingShingle Article
Soleimani, Meisam
Szafranski, Szymon P.
Qu, Taoran
Mukherjee, Rumjhum
Stiesch, Meike
Wriggers, Peter
Junker, Philipp
Numerical and experimental investigation of multi-species bacterial co-aggregation
title Numerical and experimental investigation of multi-species bacterial co-aggregation
title_full Numerical and experimental investigation of multi-species bacterial co-aggregation
title_fullStr Numerical and experimental investigation of multi-species bacterial co-aggregation
title_full_unstemmed Numerical and experimental investigation of multi-species bacterial co-aggregation
title_short Numerical and experimental investigation of multi-species bacterial co-aggregation
title_sort numerical and experimental investigation of multi-species bacterial co-aggregation
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10363141/
https://www.ncbi.nlm.nih.gov/pubmed/37481628
http://dx.doi.org/10.1038/s41598-023-38806-2
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