NDLI: Numerical and experimental LDL transport through arterial wall

Content Provider	Springer Nature Link
Author	Filipovic, N. Zivic, M. Obradovic, M. Djukic, T. Markovic, Z. Rosic, M.
Copyright Year	2013
Abstract	Atherosclerosis develops from oxidized low-density lipoprotein molecules (LDL). When oxidized LDL evolves in plaque formations within an artery wall, a series of reactions occur to repair the damage to the artery wall caused by oxidized LDL. Aim of this study was to compare experimental data of LDL transport through isolated blood vessel with computational results of bounding of oxidized LDL receptor-1 (LOX-1) for endothelial cells with numerical discrete methods such as dissipative particle dynamics (DPD) and lattice Boltzmann (LB) method. Experiments of LDL transport were performed on the isolated rabbit common carotid arteries acquired from fifteen rabbits after 12 weeks of high-fat diet. Oxidative LDL molecule is built and used for docking with LOX-1 receptor. Energies that give the best binding are computed, and the energy with greatest probability of attachment for oxidative LDL molecule and glutamine acid is further used in numerical simulations. Simulations using DPD and LB method use the computed binding energy to calculate the force necessary for binding of LDL molecule to the endothelial blood vessel layer. Experimental results have shown large uptake for shear stress below 1 dyn/cm2. Computational results for both discrete methods DPD and LB have shown good accuracy with experimental data. Calculation of the interactive molecule forces from computational chemistry open a new avenue for multiscale modeling methods, which will give better insight for the understanding and the prediction of LDL transport through the arterial wall for the medical community.
Starting Page	455
Ending Page	464
Page Count	10
File Format	PDF
ISSN	16134982
Journal	Microfluidics and Nanofluidics
Volume Number	16
Issue Number	3
e-ISSN	16134990
Language	English
Publisher	Springer Berlin Heidelberg
Publisher Date	2013-07-28
Publisher Place	Berlin, Heidelberg
Access Restriction	One Nation One Subscription (ONOS)
Subject Keyword	Engineering Fluid Dynamics Biomedical Engineering Analytical Chemistry Nanotechnology and Microengineering
Content Type	Text
Resource Type	Article
Subject	Nanoscience and Nanotechnology Materials Chemistry Condensed Matter Physics Electronic, Optical and Magnetic Materials

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1	Ministry of Education (GoI), Department of Higher Education	Sanctioning Authority	https://www.education.gov.in/ict-initiatives
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3	National Digital Library of India Office, Indian Institute of Technology Kharagpur	The administrative and infrastructural headquarters of the project	Dr. B. Sutradhar bsutra@ndl.gov.in
4	Project PI / Joint PI	Principal Investigator and Joint Principal Investigators of the project	Dr. B. Sutradhar bsutra@ndl.gov.in Prof. Saswat Chakrabarti will be added soon
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