A hybrid approach combining fluctuating hydrodynamics with generalized Langevin dynamics is employed to study the motion of a neutrally buoyant nanocarrier in an incompressible Newtonian stationary fluid medium. Both hydrodynamic interactions and adhesive interactions are included, as are different receptor–ligand bond constants relevant to medical applications. A direct numerical simulation adopting an arbitrary Lagrangian–Eulerian based finite element method is employed for the simulation. The flow around the particle and its motion are fully resolved. The temperatures of the particle associated with the various degrees of freedom satisfy the equipartition theorem. The potential of mean force (or free energy density) along a specified reaction coordinate for the harmonic (spring) interactions between the antibody and antigen is evaluated for two different bond constants. The numerical evaluations show excellent comparison with analytical results. This temporal multiscale modeling of hydrodynamic and microscopic interactions mediating nanocarrier motion and adhesion has important implications for designing nanocarriers for vascular targeted drug delivery.
Nanocarrier–Cell Surface Adhesive and Hydrodynamic Interactions: Ligand–Receptor Bond Sensitivity Study
Manuscript received April 27, 2012; final manuscript received August 21, 2012; published online January 18, 2013. Assoc. Editor: Debjyoti Banerjee.
- Views Icon Views
- Share Icon Share
- Cite Icon Cite
- Search Site
Uma, B., Radhakrishnan, R., Eckmann, D. M., and Ayyaswamy, P. S. (January 18, 2013). "Nanocarrier–Cell Surface Adhesive and Hydrodynamic Interactions: Ligand–Receptor Bond Sensitivity Study." ASME. J. Nanotechnol. Eng. Med. August 2012; 3(3): 031010. https://doi.org/10.1115/1.4007522
Download citation file:
- Ris (Zotero)
- Reference Manager