skip to main content
10.1145/1838002.1838021acmotherconferencesArticle/Chapter ViewAbstractPublication PagesfitConference Proceedingsconference-collections
research-article

On the numerical approximation of drug diffusion in complex cell geometry

Published: 16 December 2009 Publication History

Abstract

The mathematical modeling of a mammalian cell is a very tedious work due to its very complex geometry. Especially, taking into account the spatial distribution and the inclusion of lipophilic toxic compounds greatly increases its complexity. The non-homogeneity and the different cellular architecture of the cell certainly affect the diffusion of these compounds. The complexity of the whole system can be reduced by a homogenization technique. To see the effect of these compounds on different cell architectures, we have implemented a mathematical model. The work has been done in 2-dimensional space. The simulation results have been qualitatively verified using compartmental modeling approach. This work can be extended with a more complex reaction-diffusion system and to 3-dimensional space as well.

References

[1]
Dreij K, Morgenstern R, Jenström B, Hanke M. A homogenization method for efficient calculation of diffusion and reactions of lipophilic compounds in complex cell geometry (In preparation).
[2]
Jenström B, Funk M, Frank H, Mannervik B, Seidel A (1996). Glutathione S-transferase A1-1-catalysed conjugation of bay and fjord region diol epoxides or polycyclic aromatic hydrocarbons with glutathione. Carcinogenesis 17: 1491--1498.
[3]
Sundberg K, Widersten M, Seidel A, Mannervik B, Jenström B (1997) Glutathione conjugation of bay and fjord region diol epoxides or polycyclic aromatic hydrocarbons by glutathione transferases M1-1 and P1-1. Chem Res Toxicol 10: 1221--1227.
[4]
Sundberg K, Dreij K, Seidel A, Jenström B (2002) Glutathione conjugation and DNA adduct formation of dibenzo{a,1}pyrene and benzo{a}pyrene diol epoxides in V79 cells stably expressing different human glutathione transferases. Chem Res Toxicol 15: 170--179.
[5]
Dreij K, Sundberg K, Johansson A, Nordling E, Seidel A, et al. (2002) Catalytic activities of human alpha class glutathione transferases toward carcinogenic dibenzo{a,1}pyrene diol epoxides. Chem Res Toxicol 15: 825--831.
[6]
Dreij K, Seidel A, Jenström B (2005) Differential removal of DNA adducts derived from anti-diol epoxides of dibenzo{a,1}pyrene and benzo{a}pyrene in human cells. Chem Res Toxicol 18: 655--664.
[7]
Hanke M, Marry-Chriz Cabauatan-Villanueva (2007) On the simulation of the metabolism in mammalian cells using homogenization methods, Proceedings of the European Comsol Conference 2007, Grenoble, France.
[8]
Hanke M, Cabauatan-Villanueva MC (2007) Analytical and numerical approximation of effective diffusivities in the cytoplasm of biological cells, Technical Report TRITA-CSC-NA 2007:6, Royal Institute of Technology, Stockholm.
[9]
Andreucci D, Bisegna P, Caruso G, Hamm H, DiBenedetto E (2003) Mathematical model of the spatio-temporal dynamics of second messengers in visual transduction. Biophys J 85: 1358--1376.
[10]
Caruso G, Khanal H, Alexiades V, Rieke F, Hamm H, et al. (2005) Mathematical and Computational modeling of spatio-temporal signalling in rod phototransduction. IEE Proc Syst Biol 152: 119--137.
[11]
Dennis W. Ross, Howard C. Mel, Growth Dynamics of Mitochondria in Synchronized Chinese Hamster Cells. Biophysical Journal, Volume 12, Issue 11: 1562--1572.
[12]
John A, Compartmental analysis in biology and medicine (Third dition), United States of America: BioMedware (1996).
[13]
COMSOL AB, Stockholm (2008) Comsol Multyphysics 3.5.
[14]
COMSOL AB, Stockholm (2008) Comsol Multyphysics 3.5, Chemical Engineering Module.
[15]
COMSOL AB, Stockholm (2008) Comsol Reaction Engineering Lab 1.5.

Recommendations

Comments

Information & Contributors

Information

Published In

cover image ACM Other conferences
FIT '09: Proceedings of the 7th International Conference on Frontiers of Information Technology
December 2009
446 pages
ISBN:9781605586427
DOI:10.1145/1838002
Permission to make digital or hard copies of all or part of this work for personal or classroom use is granted without fee provided that copies are not made or distributed for profit or commercial advantage and that copies bear this notice and the full citation on the first page. Copyrights for components of this work owned by others than ACM must be honored. Abstracting with credit is permitted. To copy otherwise, or republish, to post on servers or to redistribute to lists, requires prior specific permission and/or a fee. Request permissions from [email protected]

Sponsors

  • COMSATS Institute of Information Technology

In-Cooperation

Publisher

Association for Computing Machinery

New York, NY, United States

Publication History

Published: 16 December 2009

Permissions

Request permissions for this article.

Check for updates

Author Tags

  1. approximation of complex geometry
  2. homogenization
  3. metabolism in biological cells
  4. reaction-diffusion system

Qualifiers

  • Research-article

Funding Sources

Conference

FIT '09
Sponsor:

Contributors

Other Metrics

Bibliometrics & Citations

Bibliometrics

Article Metrics

  • 0
    Total Citations
  • 124
    Total Downloads
  • Downloads (Last 12 months)0
  • Downloads (Last 6 weeks)0
Reflects downloads up to 03 Mar 2025

Other Metrics

Citations

View Options

Login options

View options

PDF

View or Download as a PDF file.

PDF

eReader

View online with eReader.

eReader

Figures

Tables

Media

Share

Share

Share this Publication link

Share on social media