Molecular dynamics simulation of adhesion forces in a dipalmitoylphosphatidylcholine membrane

Adhesion forces of Dipalmitoylphosphatidylcholine ( DPPC) membrane in the gel phase are investigated by molecular dynamics ( MD) simulation. In the simulations, individual DPPC molecules are pulled out of DPPC membranes with different rates and we get the maximum adhesion forces of DPPC membrane. We find that the maximum adhesion forces increase with pull rate, from about 400 to 700 pN when pull rates are from 0.001 to 0.03 nm/ps. We analyze the relationship between pull rate and adhesion forces of different origins using Brownian dynamics and notice that viscosity of solvent plays an important role in adhesion forces. Then we simulate the motion of a single DPPC molecule in solvent and it elucidates that the maximum drag force is almost linear with respect to the pull rate. We use Stokes' relation to describe the motion of a single DPPC molecule and deduce the effective length of a DPPC molecule. Conformational analyses indicate that the free energy variation of a DPPC molecule inside and outside of the DPPC membrane is an essential part of adhesion energy.

Stabilizing to disruptive transition of focal adhesion response to mechanical forces

Strong mechanical forces can, obviously, disrupt cell-cell and cell-matrix adhesions, e.g., cyclic uniaxial stretch induces instability of cell adhesion, which then causes the reorientation of cells away from the stretching direction. However, recent experiments also demonstrated the existence of force dependent adhesion growth (rather than dissociation). To provide a quantitative explanation for the two seemingly contradictory phenomena, a microscopic model that includes both integrin-integrin interaction and integrin-ligand interaction is developed at molecular level by treating the focal adhesion as an adhesion cluster. The integrin clustering dynamics and integrin-ligand binding dynamics are then simulated within one unified theoretical frame with Monte Carlo simulation. We find that the focal adhesion will grow when the traction force is higher than a relative small threshold value, and the growth is dominated by the reduction of local chemical potential energy by the traction force. In contrast, the focal adhesion will rupture when the traction force exceeds a second threshold value, and the rupture is dominated by the breaking of integrin-ligand bonds. Consistent with the experiments, these results suggest a force map for various responses of cell adhesion to different scales of mechanical force. PMID: 20542514

The unsteady forces on slender delta wing hydrofoils oscillating in heave

The investigations described herein are both experimental and theoretical. An experimental technique is described by which the models tested could be oscillated sinusoidally in heave. The apparatus used to gather the unsteady lift, drag and pitching moment data is also described.

The models tested were two flat delta wings with apex angles of 15° and 30° and they had sharp leading edges to insure flow separation. The models were fabricated from 0.25 inch aluminum plate and were approximately one foot in length.

Three distinct types of flow were investigated: 1) fully wetted, 2) ventilated and 3) planing. The experimental data are compared with existing theories for steady motions in the case of fully wetted delta wings. Ventilation measurements, made only for the 30° model at 20° angle of attack, of lift and drag are presented.

A correction of the theory proposed by M.P. Tulin for high speed planing of slender bodies is presented and it is extended to unsteady motions. This is compared to the experimental measurements made at 6° and 12° angle of attack for the two models previously described.

This is the first extensive measurement of unsteady drag for any shape wing, the first measurement of unsteady planing forces, the first quantitative documentation of unstable oscillations near a free surface, and the first measurements of the unsteady forces on ventilated delta wings. The results of these investigations, both theoretical and experimental, are discussed and further investigations suggested.