Skip to main content
Journal cover image

Modeling physicochemical interactions affecting in vitro cellular dosimetry of engineered nanomaterials: application to nanosilver.

Publication ,  Journal Article
Mukherjee, D; Leo, BF; Royce, SG; Porter, AE; Ryan, MP; Schwander, S; Chung, KF; Tetley, TD; Zhang, J; Georgopoulos, PG
Published in: Journal of nanoparticle research : an interdisciplinary forum for nanoscale science and technology
October 2014

Engineered nanomaterials (ENMs) possess unique characteristics affecting their interactions in biological media and biological tissues. Systematic investigation of the effects of particle properties on biological toxicity requires a comprehensive modeling framework which can be used to predict ENM particokinetics in a variety of media. The Agglomeration-diffusion-sedimentation-reaction model (ADSRM) described here is stochastic, using a direct simulation Monte Carlo method to study the evolution of nanoparticles in biological media, as they interact with each other and with the media over time. Nanoparticle diffusion, gravitational settling, agglomeration, and dissolution are treated in a mechanistic manner with focus on silver ENMs (AgNPs). The ADSRM model utilizes particle properties such as size, density, zeta potential, and coating material, along with medium properties like density, viscosity, ionic strength, and pH, to model evolving patterns in a population of ENMs along with their interaction with associated ions and molecules. The model predictions for agglomeration and dissolution are compared with in vitro measurements for various types of ENMs, coating materials, and incubation media, and are found to be overall consistent with measurements. The model has been implemented for an in vitro case in cell culture systems to inform in vitro dosimetry for toxicology studies, and can be directly extended to other biological systems, including in vivo tissue subsystems by suitably modifying system geometry.

Duke Scholars

Published In

Journal of nanoparticle research : an interdisciplinary forum for nanoscale science and technology

DOI

EISSN

1572-896X

ISSN

1388-0764

Publication Date

October 2014

Volume

16

Issue

10

Start / End Page

2616

Related Subject Headings

  • Nanoscience & Nanotechnology
  • 5104 Condensed matter physics
  • 4018 Nanotechnology
  • 1007 Nanotechnology
  • 0912 Materials Engineering
  • 0202 Atomic, Molecular, Nuclear, Particle and Plasma Physics
 

Citation

APA
Chicago
ICMJE
MLA
NLM
Mukherjee, D., Leo, B. F., Royce, S. G., Porter, A. E., Ryan, M. P., Schwander, S., … Georgopoulos, P. G. (2014). Modeling physicochemical interactions affecting in vitro cellular dosimetry of engineered nanomaterials: application to nanosilver. Journal of Nanoparticle Research : An Interdisciplinary Forum for Nanoscale Science and Technology, 16(10), 2616. https://doi.org/10.1007/s11051-014-2616-7
Mukherjee, Dwaipayan, Bey Fen Leo, Steven G. Royce, Alexandra E. Porter, Mary P. Ryan, Stephan Schwander, Kian Fan Chung, Teresa D. Tetley, Junfeng Zhang, and Panos G. Georgopoulos. “Modeling physicochemical interactions affecting in vitro cellular dosimetry of engineered nanomaterials: application to nanosilver.Journal of Nanoparticle Research : An Interdisciplinary Forum for Nanoscale Science and Technology 16, no. 10 (October 2014): 2616. https://doi.org/10.1007/s11051-014-2616-7.
Mukherjee D, Leo BF, Royce SG, Porter AE, Ryan MP, Schwander S, et al. Modeling physicochemical interactions affecting in vitro cellular dosimetry of engineered nanomaterials: application to nanosilver. Journal of nanoparticle research : an interdisciplinary forum for nanoscale science and technology. 2014 Oct;16(10):2616.
Mukherjee, Dwaipayan, et al. “Modeling physicochemical interactions affecting in vitro cellular dosimetry of engineered nanomaterials: application to nanosilver.Journal of Nanoparticle Research : An Interdisciplinary Forum for Nanoscale Science and Technology, vol. 16, no. 10, Oct. 2014, p. 2616. Epmc, doi:10.1007/s11051-014-2616-7.
Mukherjee D, Leo BF, Royce SG, Porter AE, Ryan MP, Schwander S, Chung KF, Tetley TD, Zhang J, Georgopoulos PG. Modeling physicochemical interactions affecting in vitro cellular dosimetry of engineered nanomaterials: application to nanosilver. Journal of nanoparticle research : an interdisciplinary forum for nanoscale science and technology. 2014 Oct;16(10):2616.
Journal cover image

Published In

Journal of nanoparticle research : an interdisciplinary forum for nanoscale science and technology

DOI

EISSN

1572-896X

ISSN

1388-0764

Publication Date

October 2014

Volume

16

Issue

10

Start / End Page

2616

Related Subject Headings

  • Nanoscience & Nanotechnology
  • 5104 Condensed matter physics
  • 4018 Nanotechnology
  • 1007 Nanotechnology
  • 0912 Materials Engineering
  • 0202 Atomic, Molecular, Nuclear, Particle and Plasma Physics