Fracture mechanics analysis of fibrin fibers using mesoscale and continuum level methods.

Computational models for simulating and predicting fibrin fiber fracture are important tools for studying bulk mechanical properties and mechanobiological response of fibrin networks in physiological conditions. In this work, we employed a new strategy to model the mechanical response of a single fibrin fiber using a collection of bundled protofibrils and modeled the time-dependent properties using discrete particle simulations. Using a systematic characterization of the parameters, this model can be used to mimic the elastic behavior of fibrin fibers accurately and also to simulate fibrin fiber fracture.

Multiscale Network Modeling of Fibrin Fibers and Fibrin Clots with Protofibril Binding Mechanics.

The multiscale mechanical behavior of individual fibrin fibers and fibrin clots wasmodeled by coupling atomistic simulation data and microscopic experimental data. We propose anew protofibril element composed of a nonlinear spring network, and constructed this based onmolecular simulations and atomic force microscopy results to simulate the force extension behaviorof fibrin fibers. This new network model also accounts for the complex interaction of protofibrilswith one another, the effects of the presence of a solvent, Coulombic attraction, and other bindingforces.

Recent advances in computational modeling of fibrin clot formation: A review.

The field of thrombosis and hemostasis is crucial for understanding and developing new therapies for pathologies such as deep vein thrombosis, diabetes related strokes, pulmonary embolisms, and hemorrhaging related diseases. In the last two decades, an exponential growth in studies related to fibrin clot formation using computational tools has been observed. Despite this growth, the complete mechanism behind thrombus formation and hemostasis has been long and rife with obstacles; however, significant progress has been made in the present century.

Physiochemical Effects of Nanoparticles on Cell Nuclear Complex Pore Transport: A Coarse-Grained Computational Model.

Understanding and controlling the interaction between nanoparticles and cell nuclei is critical to the development of the biomedical applications such as gene delivery, cellular imaging, and tumor therapy. Recent years have witnessed growing evidence that the size, shape, and the grafting density of the karyopherins ligands of nanoparticles provide a significant influence on the uptake mechanism of nanoparticles into cells; however, there is a lack of investigation into how these physical factors play a role in cellular nuclear uptake and how the nanoparticle enters the nucleus. Here, we build a computational framework to parametrically evaluate the effects of the size, shape, and the grafting density of the karyopherins ligands of designed nanoparticles on their transport through the nuclear pore complex of a cell nucleus so as to provide a novel scheme for nanoparticle design and precise nucleus-targeted therapy.

Flow plate separation of cells based on elastic properties: a computational study.

Medical studies have consistently shown that the best defense against cancer is early detection. Due to this, many efforts have been made to develop methods of screening patient blood quickly and cheaply. These methods range from separation via differences in size, electrostatic potential, chemical potential, antibody-binding affinity, among others.