Mechanics of metallic nanoparticles inside lipid nanotubes: Suction and acceptance energies

Lipid nanotubes with well-designed cylindrical structures, tunable dimensions and biocompatible membrane surfaces have found potential applications such as templates to create diverse one-dimensional nanostructures and nanocarriers for drug or gene delivery. In this regard, knowing the encapsulation process is of crucial importance for such developments. The aim of this paper is to study the suction and acceptance phenomena of metallic nanoparticles, and in particular silver and gold, inside lipid nanotubes using the continuum approximation and the 6–12 Lennard-Jones potential function. The nanoparticle is modelled as a perfect sphere and the lipid nanotube is assumed to comprise six layers, namely two head groups, two intermediate layers and two tail groups. Analytical expressions are derived through undertaking surface and volume integrals to evaluate van der Waals potential energy and interaction force of a nanoparticle entering a semi-infinite lipid nanotube. These expressions are then employed to determine the suction and acceptance energies of system. To ascertain the accuracy of the proposed analytical expressions, the multiple integrals of van der Waals interactions are evaluated numerically based on the differential quadrature method. A comprehensive study is conducted to get an insight into the effects of different geometrical parameters including radius of nanoparticles, innermost radius of lipid nanotube, head group and tail group thicknesses on the nature of suction and acceptance energies and van der Waals interactions. Numerical results show that maximum suction energy increases by enlarging the nanoparticle size, while it decreases by increasing the head group thickness or the tail group thickness. It is further found that gold nanoparticle experiences higher maximum suction energies inside lipid nanotubes compared to silver nanoparticle.