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@ARTICLE{Fedosov:15941,
      author       = {Fedosov, D.A. and Pan, W. and Caswell, B. and Gompper, G.
                      and Karniadakis, G.E.},
      title        = {{P}redicting human blood viscosity in silico},
      journal      = {Proceedings of the National Academy of Sciences of the
                      United States of America},
      volume       = {108},
      issn         = {0027-8424},
      address      = {Washington, DC},
      publisher    = {Academy},
      reportid     = {PreJuSER-15941},
      pages        = {11772 - 11777},
      year         = {2011},
      note         = {This work was supported by National Institutes of Health
                      Grant R01HL094270 and simulations were performed on the Cray
                      XT5 at the National Science Foundation-National Institute
                      for Computational Science and at the Julich Supercomputing
                      Center in Germany.},
      abstract     = {The viscosity of blood has long been used as an indicator
                      in the understanding and treatment of disease, and the
                      advent of modern viscometers allows its measurement with
                      ever-improving clinical convenience. However, these advances
                      have not been matched by theoretical developments that can
                      yield a quantitative understanding of blood's microrheology
                      and its possible connection to relevant biomolecules (e.g.,
                      fibrinogen). Using coarse-grained molecular dynamics and two
                      different red blood cell models, we accurately predict the
                      dependence of blood viscosity on shear rate and hematocrit.
                      We explicitly represent cell-cell interactions and identify
                      the types and sizes of reversible rouleaux structures that
                      yield a tremendous increase of blood viscosity at low shear
                      rates. We also present the first quantitative estimates of
                      the magnitude of adhesive forces between red cells. In
                      addition, our simulations support the hypothesis, previously
                      deduced from experiments, of yield stress as an indicator of
                      cell aggregation. This non-Newtonian behavior is analyzed
                      and related to the suspension's microstructure, deformation,
                      and dynamics of single red blood cells. The most complex
                      cell dynamics occurs in the intermediate shear rate regime,
                      where individual cells experience severe deformation and
                      transient folded conformations. The generality of these cell
                      models together with single-cell measurements points to the
                      future prediction of blood-viscosity anomalies and the
                      corresponding microstructures associated with various
                      diseases (e.g., malaria, AIDS, and diabetes mellitus). The
                      models can easily be adapted to tune the properties of a
                      much wider class of complex fluids including capsule and
                      vesicle suspensions.},
      keywords     = {Blood Viscosity / Cell Adhesion: physiology / Computer
                      Simulation / Humans / Models, Biological / Molecular
                      Dynamics Simulation / Rheology: methods / J (WoSType)},
      cin          = {ICS-2 / IAS-2},
      ddc          = {000},
      cid          = {I:(DE-Juel1)ICS-2-20110106 / I:(DE-Juel1)IAS-2-20090406},
      pnm          = {BioSoft: Makromolekulare Systeme und biologische
                      Informationsverarbeitung},
      pid          = {G:(DE-Juel1)FUEK505},
      shelfmark    = {Multidisciplinary Sciences},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {pmid:21730178},
      pmc          = {pmc:PMC3141939},
      UT           = {WOS:000292876900019},
      doi          = {10.1073/pnas.1101210108},
      url          = {https://juser.fz-juelich.de/record/15941},
}