Computational Multiscale Toxicodynamic Modeling of Silver and Carbon Nanoparticle Effects on Mouse Lung Function
A computational, multiscale toxicodynamic model has been developed to quantify and predict pulmonary effects due to uptake of engineered nanomaterials (ENMs) in mice. The model consists of a collection of coupled toxicodynamic modules, that were independently developed and tested using information o...
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Public Library of Science
2013
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| Online Access: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3849047/ |
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pubmed-38490472013-12-05 Computational Multiscale Toxicodynamic Modeling of Silver and Carbon Nanoparticle Effects on Mouse Lung Function Mukherjee, Dwaipayan Botelho, Danielle Gow, Andrew J. Zhang, Junfeng Georgopoulos, Panos G. Research Article A computational, multiscale toxicodynamic model has been developed to quantify and predict pulmonary effects due to uptake of engineered nanomaterials (ENMs) in mice. The model consists of a collection of coupled toxicodynamic modules, that were independently developed and tested using information obtained from the literature. The modules were developed to describe the dynamics of tissue with explicit focus on the cells and the surfactant chemicals that regulate the process of breathing, as well as the response of the pulmonary system to xenobiotics. Alveolar type I and type II cells, and alveolar macrophages were included in the model, along with surfactant phospholipids and surfactant proteins, to account for processes occurring at multiple biological scales, coupling cellular and surfactant dynamics affected by nanoparticle exposure, and linking the effects to tissue-level lung function changes. Nanoparticle properties such as size, surface chemistry, and zeta potential were explicitly considered in modeling the interactions of these particles with biological media. The model predictions were compared with in vivo lung function response measurements in mice and analysis of mice lung lavage fluid following exposures to silver and carbon nanoparticles. The predictions were found to follow the trends of observed changes in mouse surfactant composition over 7 days post dosing, and are in good agreement with the observed changes in mouse lung function over the same period of time. Public Library of Science 2013-12-03 /pmc/articles/PMC3849047/ /pubmed/24312506 http://dx.doi.org/10.1371/journal.pone.0080917 Text en © 2013 Mukherjee et al http://creativecommons.org/licenses/by/4.0/ This is an open-access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are properly credited. |
| repository_type |
Open Access Journal |
| institution_category |
Foreign Institution |
| institution |
US National Center for Biotechnology Information |
| building |
NCBI PubMed |
| collection |
Online Access |
| language |
English |
| format |
Online |
| author |
Mukherjee, Dwaipayan Botelho, Danielle Gow, Andrew J. Zhang, Junfeng Georgopoulos, Panos G. |
| spellingShingle |
Mukherjee, Dwaipayan Botelho, Danielle Gow, Andrew J. Zhang, Junfeng Georgopoulos, Panos G. Computational Multiscale Toxicodynamic Modeling of Silver and Carbon Nanoparticle Effects on Mouse Lung Function |
| author_facet |
Mukherjee, Dwaipayan Botelho, Danielle Gow, Andrew J. Zhang, Junfeng Georgopoulos, Panos G. |
| author_sort |
Mukherjee, Dwaipayan |
| title |
Computational Multiscale Toxicodynamic Modeling of Silver and Carbon Nanoparticle Effects on Mouse Lung Function |
| title_short |
Computational Multiscale Toxicodynamic Modeling of Silver and Carbon Nanoparticle Effects on Mouse Lung Function |
| title_full |
Computational Multiscale Toxicodynamic Modeling of Silver and Carbon Nanoparticle Effects on Mouse Lung Function |
| title_fullStr |
Computational Multiscale Toxicodynamic Modeling of Silver and Carbon Nanoparticle Effects on Mouse Lung Function |
| title_full_unstemmed |
Computational Multiscale Toxicodynamic Modeling of Silver and Carbon Nanoparticle Effects on Mouse Lung Function |
| title_sort |
computational multiscale toxicodynamic modeling of silver and carbon nanoparticle effects on mouse lung function |
| description |
A computational, multiscale toxicodynamic model has been developed to quantify and predict pulmonary effects due to uptake of engineered nanomaterials (ENMs) in mice. The model consists of a collection of coupled toxicodynamic modules, that were independently developed and tested using information obtained from the literature. The modules were developed to describe the dynamics of tissue with explicit focus on the cells and the surfactant chemicals that regulate the process of breathing, as well as the response of the pulmonary system to xenobiotics. Alveolar type I and type II cells, and alveolar macrophages were included in the model, along with surfactant phospholipids and surfactant proteins, to account for processes occurring at multiple biological scales, coupling cellular and surfactant dynamics affected by nanoparticle exposure, and linking the effects to tissue-level lung function changes. Nanoparticle properties such as size, surface chemistry, and zeta potential were explicitly considered in modeling the interactions of these particles with biological media. The model predictions were compared with in vivo lung function response measurements in mice and analysis of mice lung lavage fluid following exposures to silver and carbon nanoparticles. The predictions were found to follow the trends of observed changes in mouse surfactant composition over 7 days post dosing, and are in good agreement with the observed changes in mouse lung function over the same period of time. |
| publisher |
Public Library of Science |
| publishDate |
2013 |
| url |
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3849047/ |
| _version_ |
1612033631774048256 |