Analysis of nanoprobe penetration through a lipid bilayer

With the rapid development of nanotechnology and biotechnology, nanoscale structures are increasingly used in cellular biology. However, the interface between artificial materials and a biological membrane is not well understood, and the harm caused by the interaction is poorly controlled. Here, we utilize the dissipative particle dynamics simulation method to study the interface when a nanoscale probe penetrates the cell membrane, and propose that an appropriate surface architecture can reduce the harm experienced by a cell membrane. The simulation shows that a hydrophilic probe generates a hydrophilic hole around the probe while a hydrophobic probe leads to a 'T-junction' state as some lipid molecules move toward the two ends of the probe. Both types of probe significantly disrupt lipid bilayer organization as reflected by the large variations in free energy associated with penetration of the membrane. Considering the hydrophilic/hydrophobic nature of the lipid bilayer, three other hydrophilic/hydrophobic patterns - band pattern, axial pattern and random pattern - are discussed to reduce the damage to the lipid membrane. Both the free energy analysis and simulation studies show that the axial pattern and the random pattern can both minimize the variations in free energy with correspondingly smaller adverse effects on membrane function. These results suggest that the axial pattern or random pattern nanoprobe generates a mild interaction with the biological membrane, which should be considered when designing nondestructive nanoscale structures.