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Title: Nanoparticle transport in cellular blood flow

Abstract

In this paper, the biotransport of the intravascular nanoparticle (NP) is influenced by both the complex cellular flow environment and the NP characteristics. Being able to computationally simulate such intricate transport phenomenon with high efficiency is of far-reaching significance to the development of nanotherapeutics, yet challenging due to large length-scale discrepancies between NP and red blood cell (RBC) as well as the complexity of nanoscale particle dynamics. Recently, a lattice-Boltzmann (LB) based multiscale simulation method has been developed to capture both NP–scale and cell–level transport phenomenon at high efficiency. The basic components of this method include the LB treatment for the fluid phase, a spectrin-link method for RBCs, and a Langevin dynamics (LD) approach to capturing the motion of the suspended NPs. Comprehensive two-way coupling schemes are established to capture accurate interactions between each component. The accuracy and robustness of the LB–LD coupling method are demonstrated through the relaxation of a single NP with initial momentum and self-diffusion of NPs. This approach is then applied to study the migration of NPs in micro-vessels under physiological conditions. It is shown that Brownian motion is most significant for the NP distribution in 20 μm venules. For 1 ~ 100 nm particles, themore » Brownian diffusion is the dominant radial diffusive mechanism compared to the RBC-enhanced diffusion. For ~500 nm particles, the Brownian diffusion and RBC-enhanced diffusion are comparable drivers for the particle radial diffusion process.« less

Authors:
ORCiD logo [1]; ORCiD logo [1];  [2];  [2];  [1]
  1. Georgia Inst. of Technology, Atlanta, GA (United States)
  2. Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
Publication Date:
Research Org.:
Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
Sponsoring Org.:
USDOE National Nuclear Security Administration (NNSA)
OSTI Identifier:
1465185
Alternate Identifier(s):
OSTI ID: 1509516
Report Number(s):
SAND-2018-7974J
Journal ID: ISSN 0045-7930; 666000
Grant/Contract Number:  
AC04-94AL85000; 2506X36; NA0003525
Resource Type:
Accepted Manuscript
Journal Name:
Computers and Fluids
Additional Journal Information:
Journal Volume: 172; Journal Issue: C; Journal ID: ISSN 0045-7930
Publisher:
Elsevier
Country of Publication:
United States
Language:
English
Subject:
77 NANOSCIENCE AND NANOTECHNOLOGY; Nanoparticle; Biotransport; Blood flow; Brownian motion; Margination; RBC-enhanced diffusion

Citation Formats

Liu, Zixiang, Zhu, Yuanzheng, Rao, Rekha R., Clausen, Jonathan R., and Aidun, Cyrus K. Nanoparticle transport in cellular blood flow. United States: N. p., 2018. Web. doi:10.1016/j.compfluid.2018.03.022.
Liu, Zixiang, Zhu, Yuanzheng, Rao, Rekha R., Clausen, Jonathan R., & Aidun, Cyrus K. Nanoparticle transport in cellular blood flow. United States. https://doi.org/10.1016/j.compfluid.2018.03.022
Liu, Zixiang, Zhu, Yuanzheng, Rao, Rekha R., Clausen, Jonathan R., and Aidun, Cyrus K. Mon . "Nanoparticle transport in cellular blood flow". United States. https://doi.org/10.1016/j.compfluid.2018.03.022. https://www.osti.gov/servlets/purl/1465185.
@article{osti_1465185,
title = {Nanoparticle transport in cellular blood flow},
author = {Liu, Zixiang and Zhu, Yuanzheng and Rao, Rekha R. and Clausen, Jonathan R. and Aidun, Cyrus K.},
abstractNote = {In this paper, the biotransport of the intravascular nanoparticle (NP) is influenced by both the complex cellular flow environment and the NP characteristics. Being able to computationally simulate such intricate transport phenomenon with high efficiency is of far-reaching significance to the development of nanotherapeutics, yet challenging due to large length-scale discrepancies between NP and red blood cell (RBC) as well as the complexity of nanoscale particle dynamics. Recently, a lattice-Boltzmann (LB) based multiscale simulation method has been developed to capture both NP–scale and cell–level transport phenomenon at high efficiency. The basic components of this method include the LB treatment for the fluid phase, a spectrin-link method for RBCs, and a Langevin dynamics (LD) approach to capturing the motion of the suspended NPs. Comprehensive two-way coupling schemes are established to capture accurate interactions between each component. The accuracy and robustness of the LB–LD coupling method are demonstrated through the relaxation of a single NP with initial momentum and self-diffusion of NPs. This approach is then applied to study the migration of NPs in micro-vessels under physiological conditions. It is shown that Brownian motion is most significant for the NP distribution in 20 μm venules. For 1 ~ 100 nm particles, the Brownian diffusion is the dominant radial diffusive mechanism compared to the RBC-enhanced diffusion. For ~500 nm particles, the Brownian diffusion and RBC-enhanced diffusion are comparable drivers for the particle radial diffusion process.},
doi = {10.1016/j.compfluid.2018.03.022},
journal = {Computers and Fluids},
number = C,
volume = 172,
place = {United States},
year = {2018},
month = {3}
}

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Works referenced in this record:

A Multiscale Red Blood Cell Model with Accurate Mechanics, Rheology, and Dynamics
journal, May 2010

  • Fedosov, Dmitry A.; Caswell, Bruce; Karniadakis, George Em
  • Biophysical Journal, Vol. 98, Issue 10
  • DOI: 10.1016/j.bpj.2010.02.002

Lattice-Boltzmann Method for Complex Flows
journal, January 2010


Coupling the lattice-Boltzmann and spectrin-link methods for the direct numerical simulation of cellular blood flow
journal, February 2011

  • Reasor, Daniel A.; Clausen, Jonathan R.; Aidun, Cyrus K.
  • International Journal for Numerical Methods in Fluids, Vol. 68, Issue 6
  • DOI: 10.1002/fld.2534

Parallel performance of a lattice-Boltzmann/finite element cellular blood flow solver on the IBM Blue Gene/P architecture
journal, June 2010

  • Clausen, Jonathan R.; Reasor, Daniel A.; Aidun, Cyrus K.
  • Computer Physics Communications, Vol. 181, Issue 6
  • DOI: 10.1016/j.cpc.2010.02.005

Blood flow in small tubes: quantifying the transition to the non-continuum regime
journal, March 2013

  • Lei, Huan; Fedosov, Dmitry A.; Caswell, Bruce
  • Journal of Fluid Mechanics, Vol. 722
  • DOI: 10.1017/jfm.2013.91

Accurate Coarse-Grained Modeling of Red Blood Cells
journal, September 2008


Rheological characterization of cellular blood in shear
journal, June 2013

  • Reasor, D. A.; Clausen, J. R.; Aidun, C. K.
  • Journal of Fluid Mechanics, Vol. 726
  • DOI: 10.1017/jfm.2013.229

Simulating deformable particle suspensions using a coupled lattice-Boltzmann and finite-element method
journal, January 2009


Predicting human blood viscosity in silico
journal, July 2011

  • Fedosov, D. A.; Pan, W.; Caswell, B.
  • Proceedings of the National Academy of Sciences, Vol. 108, Issue 29
  • DOI: 10.1073/pnas.1101210108

Rheology of red blood cell aggregation by computer simulation
journal, December 2006


Determination of Critical Parameters in Platelet Margination
journal, September 2012

  • Reasor, Daniel A.; Mehrabadi, Marmar; Ku, David N.
  • Annals of Biomedical Engineering, Vol. 41, Issue 2
  • DOI: 10.1007/s10439-012-0648-7

Analysis of mechanisms for platelet near-wall excess under arterial blood flow conditions
journal, April 2011


Platelet Dynamics in Three-Dimensional Simulation of Whole Blood
journal, June 2014

  • Vahidkhah, Koohyar; Diamond, Scott L.; Bagchi, Prosenjit
  • Biophysical Journal, Vol. 106, Issue 11
  • DOI: 10.1016/j.bpj.2014.04.028

Internal Viscosity-Dependent Margination of Red Blood Cells in Microfluidic Channels
journal, April 2018

  • Ahmed, Faisal; Mehrabadi, Marmar; Liu, Zixiang
  • Journal of Biomechanical Engineering, Vol. 140, Issue 6
  • DOI: 10.1115/1.4039897

White blood cell margination in microcirculation
journal, January 2014

  • Fedosov, Dmitry A.; Gompper, Gerhard
  • Soft Matter, Vol. 10, Issue 17
  • DOI: 10.1039/C3SM52860J

A Continuum Model for Platelet Transport in Flowing Blood Based on Direct Numerical Simulations of Cellular Blood Flow
journal, October 2014

  • Mehrabadi, Marmar; Ku, David N.; Aidun, Cyrus K.
  • Annals of Biomedical Engineering, Vol. 43, Issue 6
  • DOI: 10.1007/s10439-014-1168-4

Influence of red blood cells on nanoparticle targeted delivery in microcirculation
journal, January 2012

  • Tan, Jifu; Thomas, Antony; Liu, Yaling
  • Soft Matter, Vol. 8, Issue 6
  • DOI: 10.1039/C2SM06391C

Stokesian Dynamics
journal, January 1988


On the near-wall accumulation of injectable particles in the microcirculation: smaller is not better
journal, June 2013

  • Lee, Tae-Rin; Choi, Myunghwan; Kopacz, Adrian M.
  • Scientific Reports, Vol. 3, Issue 1
  • DOI: 10.1038/srep02079

Characterization of Nanoparticle Dispersion in Red Blood Cell Suspension by the Lattice Boltzmann-Immersed Boundary Method
journal, February 2016

  • Tan, Jifu; Keller, Wesley; Sohrabi, Salman
  • Nanomaterials, Vol. 6, Issue 2
  • DOI: 10.3390/nano6020030

Margination of micro- and nano-particles in blood flow and its effect on drug delivery
journal, May 2014

  • Müller, Kathrin; Fedosov, Dmitry A.; Gompper, Gerhard
  • Scientific Reports, Vol. 4, Issue 1
  • DOI: 10.1038/srep04871

Lattice-Boltzmann Simulation of Polymer-Solvent Systems
journal, December 1998

  • Ahlrichs, Patrick; Dünweg, Burkhard
  • International Journal of Modern Physics C, Vol. 09, Issue 08
  • DOI: 10.1142/S0129183198001291

Efficient lattice Boltzmann algorithm for Brownian suspensions
journal, June 2011

  • Mynam, Mahesh; Sunthar, P.; Ansumali, Santosh
  • Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, Vol. 369, Issue 1944
  • DOI: 10.1098/rsta.2011.0047

Simulation of a single polymer chain in solution by combining lattice Boltzmann and molecular dynamics
journal, November 1999

  • Ahlrichs, Patrick; Dünweg, Burkhard
  • The Journal of Chemical Physics, Vol. 111, Issue 17
  • DOI: 10.1063/1.480156

Analytic solutions of simple flows and analysis of nonslip boundary conditions for the lattice Boltzmann BGK model
journal, April 1997

  • He, Xiaoyi; Zou, Qisu; Luo, Li-Shi
  • Journal of Statistical Physics, Vol. 87, Issue 1-2
  • DOI: 10.1007/BF02181482

Lattice Boltzmann simulation of solid particles suspended in fluid
journal, October 1995

  • Aidun, Cyrus K.; Lu, Yannan
  • Journal of Statistical Physics, Vol. 81, Issue 1-2
  • DOI: 10.1007/BF02179967

Direct analysis of particulate suspensions with inertia using the discrete Boltzmann equation
journal, October 1998


A Model for Collision Processes in Gases. I. Small Amplitude Processes in Charged and Neutral One-Component Systems
journal, May 1954


Viscous flow computations with the method of lattice Boltzmann equation
journal, July 2003


Asymptotic analysis of the lattice Boltzmann equation
journal, December 2005


The dynamics and scaling law for particles suspended in shear flow with inertia
journal, November 2000


Spectrin-Level Modeling of the Cytoskeleton and Optical Tweezers Stretching of the Erythrocyte
journal, May 2005


Stretching DNA
journal, December 1995


Ten years of tension: single-molecule DNA mechanics
journal, January 2003

  • Bustamante, Carlos; Bryant, Zev; Smith, Steven B.
  • Nature, Vol. 421, Issue 6921
  • DOI: 10.1038/nature01405

Systematic coarse-graining of spectrin-level red blood cell models
journal, June 2010

  • Fedosov, Dmitry A.; Caswell, Bruce; Karniadakis, George Em
  • Computer Methods in Applied Mechanics and Engineering, Vol. 199, Issue 29-32
  • DOI: 10.1016/j.cma.2010.02.001

The rheology and microstructure of concentrated non-colloidal suspensions of deformable capsules
journal, September 2011

  • Clausen, Jonathan R.; Reasor, Daniel A.; Aidun, Cyrus K.
  • Journal of Fluid Mechanics, Vol. 685
  • DOI: 10.1017/jfm.2011.307

The fluctuation-dissipation theorem
journal, January 1966


A Note on the Generation of Random Normal Deviates
journal, June 1958

  • Box, G. E. P.; Muller, Mervin E.
  • The Annals of Mathematical Statistics, Vol. 29, Issue 2
  • DOI: 10.1214/aoms/1177706645

The immersed boundary method
journal, January 2002


Discrete lattice effects on the forcing term in the lattice Boltzmann method
journal, April 2002


Depletion-Mediated Red Blood Cell Aggregation in Polymer Solutions
journal, November 2002


Decay of the Velocity Autocorrelation Function
journal, January 1970


Motion of a nano-spheroid in a cylindrical vessel flow: Brownian and hydrodynamic interactions
journal, May 2017

  • Ramakrishnan, N.; Wang, Y.; Eckmann, D. M.
  • Journal of Fluid Mechanics, Vol. 821
  • DOI: 10.1017/jfm.2017.182

Works referencing / citing this record:

Axisymmetric compact finite-difference lattice Boltzmann method for blood flow simulations
journal, October 2019


Inhibition of high shear arterial thrombosis by charged nanoparticles
journal, July 2018

  • Griffin, Michael T.; Zhu, Yuanzheng; Liu, Zixiang
  • Biomicrofluidics, Vol. 12, Issue 4
  • DOI: 10.1063/1.5025349

Occlusive thrombosis in arteries
journal, December 2019

  • Kim, Dongjune; Bresette, Christopher; Liu, Zixiang
  • APL Bioengineering, Vol. 3, Issue 4
  • DOI: 10.1063/1.5115554

Multiscale method based on coupled lattice‐Boltzmann and Langevin‐dynamics for direct simulation of nanoscale particle/polymer suspensions in complex flows
journal, July 2019

  • Liu, Zixiang; Zhu, Yuanzheng; Clausen, Jonathan R.
  • International Journal for Numerical Methods in Fluids, Vol. 91, Issue 5
  • DOI: 10.1002/fld.4752

Effects of artery size on the hydrodynamic diffusivity of red cells and other contained particles
journal, November 2019


Spontaneous shrinking of soft nanoparticles boosts their diffusion in confined media
journal, September 2019


Nanoparticle diffusion in sheared cellular blood flow
journal, May 2019

  • Liu, Zixiang; Clausen, Jonathan R.; Rao, Rekha R.
  • Journal of Fluid Mechanics, Vol. 871
  • DOI: 10.1017/jfm.2019.320

A unified analysis of nano-to-microscale particle dispersion in tubular blood flow
journal, August 2019

  • Liu, Z.; Clausen, J. R.; Rao, R. R.
  • Physics of Fluids, Vol. 31, Issue 8
  • DOI: 10.1063/1.5110604