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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Autores principales:	Dwaipayan Mukherjee, Danielle Botelho, Andrew J Gow, Junfeng Zhang, Panos G Georgopoulos
Formato:	article
Lenguaje:	EN
Publicado:	Public Library of Science (PLoS) 2013
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/1b5421e183f342aaa2d9bac5e92989c0
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spelling	oai:doaj.org-article:1b5421e183f342aaa2d9bac5e92989c02021-11-18T08:43:47ZComputational multiscale toxicodynamic modeling of silver and carbon nanoparticle effects on mouse lung function.1932-620310.1371/journal.pone.0080917https://doaj.org/article/1b5421e183f342aaa2d9bac5e92989c02013-01-01T00:00:00Zhttps://www.ncbi.nlm.nih.gov/pmc/articles/pmid/24312506/?tool=EBIhttps://doaj.org/toc/1932-6203A 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.Dwaipayan MukherjeeDanielle BotelhoAndrew J GowJunfeng ZhangPanos G GeorgopoulosPublic Library of Science (PLoS)articleMedicineRScienceQENPLoS ONE, Vol 8, Iss 12, p e80917 (2013)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q Dwaipayan Mukherjee Danielle Botelho Andrew J Gow Junfeng Zhang Panos G Georgopoulos 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.
format	article
author	Dwaipayan Mukherjee Danielle Botelho Andrew J Gow Junfeng Zhang Panos G Georgopoulos
author_facet	Dwaipayan Mukherjee Danielle Botelho Andrew J Gow Junfeng Zhang Panos G Georgopoulos
author_sort	Dwaipayan Mukherjee
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.
publisher	Public Library of Science (PLoS)
publishDate	2013
url	https://doaj.org/article/1b5421e183f342aaa2d9bac5e92989c0
work_keys_str_mv	AT dwaipayanmukherjee computationalmultiscaletoxicodynamicmodelingofsilverandcarbonnanoparticleeffectsonmouselungfunction AT daniellebotelho computationalmultiscaletoxicodynamicmodelingofsilverandcarbonnanoparticleeffectsonmouselungfunction AT andrewjgow computationalmultiscaletoxicodynamicmodelingofsilverandcarbonnanoparticleeffectsonmouselungfunction AT junfengzhang computationalmultiscaletoxicodynamicmodelingofsilverandcarbonnanoparticleeffectsonmouselungfunction AT panosggeorgopoulos computationalmultiscaletoxicodynamicmodelingofsilverandcarbonnanoparticleeffectsonmouselungfunction
_version_	1718421367801511936

Computational multiscale toxicodynamic modeling of silver and carbon nanoparticle effects on mouse lung function.

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