TY - GEN
T1 - Computational models for convective and diffusive drug transport in capillaries and tissue
AU - Kojic, Milos
AU - Milosevic, Miljan
AU - Isailovic, Velibor
AU - Simic, Vladimir
AU - Ferrari, Mauro
AU - Ziemys, Arturas
N1 - Publisher Copyright:
© 2015 IEEE.
PY - 2015/12/28
Y1 - 2015/12/28
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=84962821795&partnerID=8YFLogxK
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U2 - 10.1109/BIBE.2015.7367633
DO - 10.1109/BIBE.2015.7367633
M3 - Conference contribution
AN - SCOPUS:84962821795
T3 - 2015 IEEE 15th International Conference on Bioinformatics and Bioengineering, BIBE 2015
BT - 2015 IEEE 15th International Conference on Bioinformatics and Bioengineering, BIBE 2015
PB - Institute of Electrical and Electronics Engineers Inc.
T2 - 15th IEEE International Conference on Bioinformatics and Bioengineering, BIBE 2015
Y2 - 2 November 2015 through 4 November 2015
ER -