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

Publication ,  Journal Article
Mukherjee, D; Botelho, D; Gow, AJ; Zhang, J; Georgopoulos, PG
Published in: PloS one
January 2013

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.

Duke Scholars

Published In

PloS one

DOI

EISSN

1932-6203

ISSN

1932-6203

Publication Date

January 2013

Volume

8

Issue

12

Start / End Page

e80917

Related Subject Headings

  • Xenobiotics
  • Respiratory Function Tests
  • Particle Size
  • Nanotubes, Carbon
  • Models, Biological
  • Mice
  • Metal Nanoparticles
  • Lung
  • General Science & Technology
  • Computer Simulation
 

Citation

APA
Chicago
ICMJE
MLA
NLM
Mukherjee, D., Botelho, D., Gow, A. J., Zhang, J., & Georgopoulos, P. G. (2013). Computational multiscale toxicodynamic modeling of silver and carbon nanoparticle effects on mouse lung function. PloS One, 8(12), e80917. https://doi.org/10.1371/journal.pone.0080917
Mukherjee, Dwaipayan, Danielle Botelho, Andrew J. Gow, Junfeng Zhang, and Panos G. Georgopoulos. “Computational multiscale toxicodynamic modeling of silver and carbon nanoparticle effects on mouse lung function.PloS One 8, no. 12 (January 2013): e80917. https://doi.org/10.1371/journal.pone.0080917.
Mukherjee D, Botelho D, Gow AJ, Zhang J, Georgopoulos PG. Computational multiscale toxicodynamic modeling of silver and carbon nanoparticle effects on mouse lung function. PloS one. 2013 Jan;8(12):e80917.
Mukherjee, Dwaipayan, et al. “Computational multiscale toxicodynamic modeling of silver and carbon nanoparticle effects on mouse lung function.PloS One, vol. 8, no. 12, Jan. 2013, p. e80917. Epmc, doi:10.1371/journal.pone.0080917.
Mukherjee D, Botelho D, Gow AJ, Zhang J, Georgopoulos PG. Computational multiscale toxicodynamic modeling of silver and carbon nanoparticle effects on mouse lung function. PloS one. 2013 Jan;8(12):e80917.

Published In

PloS one

DOI

EISSN

1932-6203

ISSN

1932-6203

Publication Date

January 2013

Volume

8

Issue

12

Start / End Page

e80917

Related Subject Headings

  • Xenobiotics
  • Respiratory Function Tests
  • Particle Size
  • Nanotubes, Carbon
  • Models, Biological
  • Mice
  • Metal Nanoparticles
  • Lung
  • General Science & Technology
  • Computer Simulation