We describe here a rigorous and accurate model for the simulation of three-dimensional deformable particles (DPs). The method is very versatile, easily simulating various types of deformable particles such as vesicles, capsules, and biological cells. Each DP is resolved explicitly and advects within the surrounding Newtonian fluid. The DPs have a preferred rest shape (e.g., spherical for vesicles, or biconcave for red blood cells). The model uses a classic hybrid system: an Eulerian approach is used for the Navier-Stokes solver (the lattice Boltzmann method) and a Lagrangian approach for the evolution of the DP mesh. Coupling is accomplished through the lattice Boltzmann velocity field, which transmits force to the membranes of the DPs. The novelty of this method resides in its ability (by design) to simulate a large number of DPs within the bounds of current computational limitations: our simple and efficient approach is to (i) use the lattice Boltzmann method because of its acknowledged efficiency at low Reynolds number and its ease of parallelization, and (ii) model the DP dynamics using a coarse mesh (approximately 500 nodes) and a spring model constraining (if necessary) local area, total area, cell volume, local curvature, and local primary stresses. We show that this approach is comparable to the more common - yet numerically expensive - approach of membrane potential function, through a series of quantitative comparisons. To demonstrate the capabilities of the model, we simulate the flow of 200 densely packed red blood cells - a computationally challenging task. The model is very efficient, requiring of the order of minutes for a single DP in a 50 microm x 40 microm x 40 microm simulation domain and only hours for 200 DPs in 80 microm x 30 microm x 30 microm . Moreover, the model is highly scalable and efficient compared to other models of blood cells in flow, making it an ideal and unique tool for studying blood flow in microvessels or vesicle or capsule flow (or a mixture of different particles). In addition to directly predicting fluid dynamics in complex suspension in any geometry, the model allows determination of accurate, empirical rules which may improve existing macroscopic, continuum models.

Download full-text PDF

Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2752716PMC
http://dx.doi.org/10.1103/PhysRevE.75.066707DOI Listing

Publication Analysis

Top Keywords

microm microm
16
deformable particles
12
blood cells
12
lattice boltzmann
12
model
8
red blood
8
boltzmann method
8
microm
6
dps
5
approach
5

Similar Publications

Sonochemical synthesis, optical properties and DFT studies on novel (N-arylamino)phenothiazinium dyes suitable for fluorescence cells imaging.

Spectrochim Acta A Mol Biomol Spectrosc

December 2024

Faculty of Chemistry and Chemical Engineering, Babeş-Bolyai University, 11 Arany Janos str., 400028 Cluj-Napoca, Romania. Electronic address:

Novel (N-arylamino)phenothiazinium dyes containing meta-substituted-arylamine auxochrome units were successfully obtained by applying a sonochemical protocol designed for a more efficient energy usage in the preparation of methylene blue (MB) analogues. Single crystal X-ray diffraction analysis revealed the spatial arrangement in aggregated crystalline state of (N-(meta-bromoaryl)amino)phenothiazinium dye with minor variances induced by the nature of the halogenide counterion (iodide or chloride). The optical UV-vis properties of the novel (N-arylamino)phenothiazinium dyes were comparable to those of the parent MB, with the longest wavelength absorption maxima situated in the visible range (640-680 nm), large molar extinction coefficients (log ε = 4.

View Article and Find Full Text PDF
Article Synopsis
  • Curcumin, found in turmeric, is recognized for its potential health benefits, including anti-cancer and anti-inflammatory properties, but its absorption in the body may be too low to be effective.
  • Dietary sources alone may not provide sufficient curcumin levels, leading researchers to explore methods to enhance its bioavailability, such as using nanoparticles.
  • Increasing curcumin levels might boost its health benefits, particularly its antioxidant effects, but it also requires careful monitoring to avoid negative impacts on cellular functions.
View Article and Find Full Text PDF

Angiotensin I and II Stimulate Cell Invasion of SARS-CoV-2: Potential Mechanism via Inhibition of ACE2 Arm of RAS.

Physiol Res

March 2024

Institute of Experimental Endocrinology, Biomedical Research Center, Slovak Academy of Sciences, Bratislava, Slovak Republic. and Institute of Neuroimmunology, Slovak Academy of Sciences, Bratislava, Slovak Republic.

Angiotensin-converting enzyme 2 (ACE2), one of the key enzymes of the renin-angiotensin system (RAS), plays an important role in SARS-CoV-2 infection by functioning as a virus receptor. Angiotensin peptides Ang I and Ang II, the substrates of ACE2, can modulate the binding of SARS-CoV-2 Spike protein to the ACE2 receptor. In the present work, we found that co incubation of HEK-ACE2 and Vero E6 cells with the SARS-CoV-2 Spike pseudovirus (PVP) resulted in stimulation of the virus entry at low and high micromolar concentrations of Ang I and Ang II, respectively.

View Article and Find Full Text PDF

Differential superoxide production in phosphorylated neuronal nitric oxide synthase mu and alpha variants.

J Inorg Biochem

February 2024

College of Pharmacy, University of New Mexico, Albuquerque, NM 87131, USA; Department of Chemistry and Chemical Biology, University of New Mexico, Albuquerque, NM 87131, USA. Electronic address:

Neuronal nitric oxide synthase (nNOS) is regulated by phosphorylation in vivo, yet the underlying biochemical mechanisms remain unclear, primarily due to difficulty in obtaining milligram quantities of phosphorylated nNOS protein; detailed spectroscopic and rapid kinetics investigations require purified protein samples at a concentration in the range of hundreds microM. Moreover, the functional diversity of the nNOS isoform is linked to its splice variants. Also of note is that determination of protein phosphorylation stoichiometry remains as a challenge.

View Article and Find Full Text PDF

Cytotoxic effect of 13α-estrane derivatives on breast, endometrial and ovarian cancer cell lines.

J Steroid Biochem Mol Biol

September 2023

Institute of Biochemistry and Molecular Genetics, Faculty of Medicine, University of Ljubljana, 1000 Ljubljana, Slovenia. Electronic address:

Hormone-dependent cancers such as breast, uterine, and ovarian cancers account for more than 35% of all cancers in women. Worldwide, these cancers occur in more than 2.7 million women/year and account for 22% of cancer-related deaths/year.

View Article and Find Full Text PDF

Want AI Summaries of new PubMed Abstracts delivered to your In-box?

Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!