Computational models for convective and diffusive drug transport in capillaries and tissue

Milos Kojic, Miljan Milosevic, Velibor Isailovic, Vladimir Simic, Mauro Ferrari, Arturas Ziemys

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

In this report we summarize computational models for convective and diffusive drug transport within small blood vessels (capillaries) and tissue. The presented methodology is primarily focused on drug transport via micro-nanoparticles designed for nanotherapeutics in cancer. Our original multiscale hierarchical models couple nanoscale molecular dynamics (MD) and macroscale continuum finite element (FE) discretization. The convective part relies on a FE solution of the solid-fluid interaction problem of moving bodies within fluid, with a remeshing procedure. In diffusion, MD is used to evaluate the effective diffusivity of a porous continuum, where the physico-chemical interaction between transported molecules and microstructural surface is included, and the mass release curves are considered as the constitutive curves. Several representative examples illustrate effectiveness of our methodology and developed software PAK.

Original languageEnglish (US)
Title of host publication2015 IEEE 15th International Conference on Bioinformatics and Bioengineering, BIBE 2015
PublisherInstitute of Electrical and Electronics Engineers Inc.
ISBN (Print)9781467379830
DOIs
StatePublished - Dec 28 2015
Event15th IEEE International Conference on Bioinformatics and Bioengineering, BIBE 2015 - Belgrade, Serbia
Duration: Nov 2 2015Nov 4 2015

Other

Other15th IEEE International Conference on Bioinformatics and Bioengineering, BIBE 2015
CountrySerbia
CityBelgrade
Period11/2/1511/4/15

ASJC Scopus subject areas

  • Biotechnology
  • Computer Science Applications
  • Biomedical Engineering
  • Health Informatics

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