Modeling and computational analysis of nanoparticle adhesion on the inflamed endothelium

Various nanoparticles have recently been developed for diagnostic and therapeutic use owing to the advance of nanotechnology. Nanoparticles decorated with monoclonal antibodies which showed selective binding to the intercellular cell adhesion molecule (ICAM) on the substrate were modeled. We utilized a transport-reaction model to analyze the binding characteristics of nanoparticles. Binding rate was assumed to be proportional to the particle concentration at wall and detachment rate was assumed to be proportional to the bound particle density. Binding of nanoparticles on the substrate was analyzed in constant inlet particle flux and constant inlet particle concentration cases under different wall shear rates using computational fluid dynamic method. Binding rates of nanoparticles on the substrate increased as the kinetic rate of atttachement (k_A) increased. The changes of binding rate per kA value change were more prominent for the lower k_A range (2 × 10^-7 to 6 × 10^-7 m/sec) comparing to the higher k_A range (6 × 10^-7 to 1 × 10^-6 m/sec). Shear enhanced particle transport was observed in the higher k_A ranges in the constant inlet concentration case. Since k_A is related to the ligand and receptor density, the results of this study could be used to determine the optimal antibody density on the nanoparticle for imaging probes for vascular diseases.