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

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

doi:10.1109/BIBE.2015.7367633

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 proceeding › Conference 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 language	English (US)
Title of host publication	2015 IEEE 15th International Conference on Bioinformatics and Bioengineering, BIBE 2015
Publisher	Institute of Electrical and Electronics Engineers Inc.
ISBN (Electronic)	9781467379830
DOIs	https://doi.org/10.1109/BIBE.2015.7367633
State	Published - Dec 28 2015
Event	15th IEEE International Conference on Bioinformatics and Bioengineering, BIBE 2015 - Belgrade, Serbia Duration: Nov 2 2015 → Nov 4 2015

Publication series

Name	2015 IEEE 15th International Conference on Bioinformatics and Bioengineering, BIBE 2015

Other

Other	15th IEEE International Conference on Bioinformatics and Bioengineering, BIBE 2015
Country/Territory	Serbia
City	Belgrade
Period	11/2/15 → 11/4/15

ASJC Scopus subject areas

Biotechnology
Computer Science Applications
Biomedical Engineering
Health Informatics

Access to Document

10.1109/BIBE.2015.7367633

Cite this

Kojic, M., Milosevic, M., Isailovic, V., Simic, V., Ferrari, M., & Ziemys, A. (2015). Computational models for convective and diffusive drug transport in capillaries and tissue. In 2015 IEEE 15th International Conference on Bioinformatics and Bioengineering, BIBE 2015 [7367633] (2015 IEEE 15th International Conference on Bioinformatics and Bioengineering, BIBE 2015). Institute of Electrical and Electronics Engineers Inc.. https://doi.org/10.1109/BIBE.2015.7367633

Computational models for convective and diffusive drug transport in capillaries and tissue. / Kojic, Milos; Milosevic, Miljan; Isailovic, Velibor et al.

2015 IEEE 15th International Conference on Bioinformatics and Bioengineering, BIBE 2015. Institute of Electrical and Electronics Engineers Inc., 2015. 7367633 (2015 IEEE 15th International Conference on Bioinformatics and Bioengineering, BIBE 2015).

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

Kojic, M, Milosevic, M, Isailovic, V, Simic, V, Ferrari, M & Ziemys, A 2015, Computational models for convective and diffusive drug transport in capillaries and tissue. in 2015 IEEE 15th International Conference on Bioinformatics and Bioengineering, BIBE 2015., 7367633, 2015 IEEE 15th International Conference on Bioinformatics and Bioengineering, BIBE 2015, Institute of Electrical and Electronics Engineers Inc., 15th IEEE International Conference on Bioinformatics and Bioengineering, BIBE 2015, Belgrade, Serbia, 11/2/15. https://doi.org/10.1109/BIBE.2015.7367633

Kojic M, Milosevic M, Isailovic V, Simic V, Ferrari M, Ziemys A. Computational models for convective and diffusive drug transport in capillaries and tissue. In 2015 IEEE 15th International Conference on Bioinformatics and Bioengineering, BIBE 2015. Institute of Electrical and Electronics Engineers Inc. 2015. 7367633. (2015 IEEE 15th International Conference on Bioinformatics and Bioengineering, BIBE 2015). https://doi.org/10.1109/BIBE.2015.7367633

Kojic, Milos ; Milosevic, Miljan ; Isailovic, Velibor et al. / Computational models for convective and diffusive drug transport in capillaries and tissue. 2015 IEEE 15th International Conference on Bioinformatics and Bioengineering, BIBE 2015. Institute of Electrical and Electronics Engineers Inc., 2015. (2015 IEEE 15th International Conference on Bioinformatics and Bioengineering, BIBE 2015).

@inproceedings{36640ffdc0644892952587a668b72905,

title = "Computational models for convective and diffusive drug transport in capillaries and tissue",

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.",

author = "Milos Kojic and Miljan Milosevic and Velibor Isailovic and Vladimir Simic and Mauro Ferrari and Arturas Ziemys",

note = "Publisher Copyright: {\textcopyright} 2015 IEEE.; 15th IEEE International Conference on Bioinformatics and Bioengineering, BIBE 2015 ; Conference date: 02-11-2015 Through 04-11-2015",

year = "2015",

month = dec,

day = "28",

doi = "10.1109/BIBE.2015.7367633",

language = "English (US)",

series = "2015 IEEE 15th International Conference on Bioinformatics and Bioengineering, BIBE 2015",

publisher = "Institute of Electrical and Electronics Engineers Inc.",

booktitle = "2015 IEEE 15th International Conference on Bioinformatics and Bioengineering, BIBE 2015",

address = "United States",

}

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

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

UR - http://www.scopus.com/inward/citedby.url?scp=84962821795&partnerID=8YFLogxK

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 -

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

Abstract

Publication series

Other

ASJC Scopus subject areas

Access to Document

Other files and links

Fingerprint

Cite this