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Numerical and experimental LDL transport through arterial wall

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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.

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Acknowledgments

The part of this research is supported by Ministry of Education and Science in Serbia, Grants III41007, ON174028, and FP7 ICT-2007-2-5.3 (224297) ARTreat Project.

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Authors and Affiliations

  1. Faculty of Mechanical Engineering, University of Kragujevac, Kragujevac, Serbia

    N. Filipovic, M. Obradovic, T. Djukic & M. Rosic

  2. Harvard School of Public Health, Harvard University, Boston, MA, USA

    N. Filipovic

  3. Faculty of Biology, University of Belgrade, Belgrade, Serbia

    M. Zivic

  4. State University Novi Pazar, Novi Pazar, Serbia

    Z. Markovic

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  1. N. Filipovic
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  2. M. Zivic
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  3. M. Obradovic
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  4. T. Djukic
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  6. M. Rosic
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Correspondence to N. Filipovic.

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Filipovic, N., Zivic, M., Obradovic, M. et al. Numerical and experimental LDL transport through arterial wall. Microfluid Nanofluid 16, 455–464 (2014). https://doi.org/10.1007/s10404-013-1238-1

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  • DOI: https://doi.org/10.1007/s10404-013-1238-1

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