Models For Optical Tweezer Stretching of Miniature Coarse-Grained Red Blood Cells

2021 ◽  
Author(s):  
Paul Appshaw ◽  
Annela M. Seddon ◽  
Simon Hanna
Keyword(s):  
Red Blood Cells ◽  
Blood Cells ◽  
Optical Tweezer ◽  
Coarse Grained

Optical Tweezer Stretching of Miniature Coarse-Grained Red Blood Cells

2020 ◽  
Author(s):  
P. Appshaw ◽  
A. M. Seddon ◽  
S. Hanna
Keyword(s):  
Molecular Dynamics ◽  
Shear Modulus ◽  
Red Blood Cells ◽  
Blood Cells ◽  
Scale Invariance ◽  
Optical Tweezer ◽  
Coarse Grained ◽  
Whole Cell ◽  
Human Red Blood Cells

ABSTRACTDue to the high computational cost of full-cell coarse-grained molecular dynamics modelling, being able to simulate “miniature” cells that effectively represent their full-sized counterparts would be highly advantageous. To accurately represent the morphological and elastic properties of a human red blood cell in silico, such a model is employed utilising the molecular dynamics package LAMMPS. The scale invariance of the model is first tested qualitatively by following the shape evolution of red blood cells of various diameters, then quantitatively by evaluating the membrane shear modulus from simulations of optical tweezer-style stretching. Cells of physical diameter of at least 0.5µm were able to form the characteristic biconcave shape of human red blood cells, though smaller cells instead equilibrated to bowl-shaped stomatocytes. A positive correlation was found between the cell size and both magnitude of deformation from optical tweezer stretching and scaled shear modulus, indicating a lack of scale invariance in the models elastic response. However, the stable morphology and measured shear modulus of the 0.5 − 1.0µm diameter cells are deemed close enough to past in vitro studies on human red blood cells for them to still offer valuable use in making simplified predictions of whole-cell mechanics.SIGNIFICANCEThe study tests the invariance of a coarse-grained molecular dynamics red blood cell (RBC) model to system scale, asking whether it is qualitatively and quantitatively viable to perform whole-cell simulations in “miniature”. Simulating cells at a reduced scale greatly improves computational speed, making possible computational experiments that would otherwise be too computationally demanding. This facilitates the simulation of larger systems, both in number of whole-cells, and cells of greater structural complexity than the RBC. More generally, the accurate and efficient modelling of biological cells allows computational experimentation of real-world systems that would be very challenging or impossible to perform in vitro. Therefore, miniature-cell modelling could help both direct development in whole-cell modelling, and also developments in more widespread bio-physical studies.

Modeling biomembranes and red blood cells by coarse-grained particle methods

2017 ◽  
Vol 39 (1) ◽  
pp. 3-20 ◽  
Author(s):  
H. Li ◽  
H. Y. Chang ◽  
J. Yang ◽  
L. Lu ◽  
Y. H. Tang ◽  
...  
Keyword(s):  
Red Blood Cells ◽  
Blood Cells ◽  
Coarse Grained ◽  
Particle Methods

scholarly journals Mechanics for the Adhesion and Aggregation of Red Blood Cells on Chitosan

2018 ◽  
Vol 34 (5) ◽  
pp. 725-732 ◽  
Author(s):  
K. Y. Chen ◽  
T. H. Lin ◽  
C. Y. Yang ◽  
Y. W. Kuo ◽  
U. Lei
Keyword(s):  
Red Blood Cells ◽  
Blood Cells ◽  
Biomedical Applications ◽  
Adhesion Force ◽  
Layer Structure ◽  
Optical Tweezer ◽  
Wound Dressings ◽  
Zeta Potentials ◽  
Rbc Membrane ◽  
Layer Structures

AbstractHemostasis, a process which causes bleeding to stop, can be enhanced using chitosan; but the detailed mechanism is unclear. Red blood cells (RBCs) adhere to chitosan because of their opposite charges, but the adhesion force is small, 3.83 pN as measured here using an optical tweezer, such that the direct adhesion cannot be the sole cause for hemostasis. However, it was observed in this study that layer structures of aggregated RBCs were formed next to chitosan objects in both static and flowing environments, but not formed next to cotton and rayon yarns. The layer structure is the clue for the initiation of hemostatsis. Through the supporting measurements of zeta potentials of RBCs and pH's using blood-chitosan mixtures, it is proposed here that the formation of the RBC layer structure next to chitosan objects is due to the reduction of repulsive electric double layer force between RBCs, because of the association of H+ deprotonated from chitosan with COO− on RBC membrane, under the DLVO (Derjaguin-Landau-Verwey-Overbeek) theory. The results are beneficial for designing effective chitosan-based wound dressings, and also for general biomedical applications.

scholarly journals Blood bank storage of red blood cells increases RBC cytoplasmic membrane order and bending rigidity

PLoS ONE ◽  
2021 ◽  
Vol 16 (11) ◽  
pp. e0259267
Author(s):  
Sebastian Himbert ◽  
Syed M. Qadri ◽  
William P. Sheffield ◽  
Peter Schubert ◽  
Angelo D’Alessandro ◽  
...  
Keyword(s):  
Red Blood Cells ◽  
Blood Cells ◽  
Storage Time ◽  
Cytoplasmic Membrane ◽  
Md Simulations ◽  
Coarse Grained ◽  
Small Contribution ◽  
Bending Rigidity ◽  
X Ray ◽  
Membrane Order

Blood banks around the world store blood components for several weeks ensuring its availability for transfusion medicine. Red blood cells (RBCs) are known to undergo compositional changes during storage, which may impact the cells’ function and eventually the recipients’ health. We extracted the RBC’s cytoplasmic membrane (RBCcm) to study the effect of storage on the membranes’ molecular structure and bending rigidity by a combination of X-ray diffraction (XRD), X-ray diffuse scattering (XDS) and coarse grained Molecular Dynamics (MD) simulations. Blood was stored in commercial blood bags for 2 and 5 weeks, respectively and compared to freshly drawn blood. Using mass spectrometry, we measured an increase of fatty acids together with a slight shift towards shorter tail lengths. We observe an increased fraction (6%) of liquid ordered (lo) domains in the RBCcms with storage time, and an increased lipid packing in these domains, leading to an increased membrane thickness and membrane order. The size of both, lo and liquid disordered (ld) lipid domains was found to decrease with increased storage time by up to 25%. XDS experiments reveal a storage dependent increase in the RBCcm’s bending modulus κ by a factor of 2.8, from 1.9 kBT to 5.3 kBT. MD simulations were conducted in the absence of proteins. The results show that the membrane composition has a small contribution to the increased bending rigidity and suggests additional protein-driven mechanisms.

Accurate Coarse-Grained Modeling of Red Blood Cells

2008 ◽  
Vol 101 (11) ◽  
Author(s):  
Igor V. Pivkin ◽  
George Em Karniadakis
Keyword(s):  
Red Blood Cells ◽  
Blood Cells ◽  
Coarse Grained

scholarly journals Rotational behaviour of red blood cells in suspension: a mesoscale simulation study

2011 ◽  
Vol 369 (1944) ◽  
pp. 2337-2344 ◽  
Author(s):  
F. Janoschek ◽  
F. Mancini ◽  
J. Harting ◽  
F. Toschi
Keyword(s):  
Red Blood Cells ◽  
Blood Cells ◽  
Coarse Grained ◽  
Soft Particle ◽  
Rotational Behaviour ◽  
Cell Orientation ◽  
Nematic Order ◽  
Rotation Periods ◽  
Boltzmann Method ◽  
Pronounced Peak

The nature of blood as a suspension of red blood cells makes computational haemodynamics a demanding task. Our coarse-grained blood model, which builds on a lattice Boltzmann method for soft particle suspensions, enables the study of the collective behaviour of the order of 10 6 cells in suspension. After demonstrating the viscosity measurement in Kolmogorov flow, we focus on the statistical analysis of the cell orientation and rotation in Couette flow. We quantify the average inclination with respect to the flow and the nematic order as a function of shear rate and haematocrit. We further record the distribution of rotation periods around the vorticity direction and find a pronounced peak in the vicinity of the theoretical value for free model cells, even though cell–cell interactions manifest themselves in a substantial width of the distribution.

Optical properties of red blood cells: an optical tweezer based analysis

2014 ◽  
Author(s):  
B. V. Nagesh ◽  
Yogesha Lakkegowda ◽  
R. Pratibha ◽  
P. Praveen ◽  
Sarbari Bhattacharya ◽  
...  
Keyword(s):  
Optical Properties ◽  
Red Blood Cells ◽  
Blood Cells ◽  
Optical Tweezer

scholarly journals Scale-invariance in miniature coarse-grained red blood cells by fluctuation analysis

Soft Matter ◽  
2022 ◽  
Author(s):  
Paul Appshaw ◽  
Annela M. Seddon ◽  
Simon Hanna
Keyword(s):  
Molecular Dynamics ◽  
Blood Cell ◽  
Red Blood Cells ◽  
Red Blood Cell ◽  
Blood Cells ◽  
In Silico ◽  
Scale Invariance ◽  
Coarse Grained ◽  
Fluctuation Analysis ◽  
Dynamics Model

The scale-invariance of a coarse-grained molecular dynamics model of a red blood cell is investigated through fluctuation analysis, justifying the use of “miniature cells” in silico.

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