Mechanism of action and thermodynamics of linactants.
(a) Mechanism of action of octane on phase-separated membranes: lipid mixing (expressed as DLiPC-DPPC contact fraction) vs. solute distribution (expressed as solute-DLiPC contact fraction) as a function of simulation time (represented with a color scale, from green to blue). The vertical solid line marks the solute-DLiPC contact fraction of 0.5 (solute mostly at the interface). The vertical dashed line marks a solute-DLiPC contact fraction of 0.39 (ideal mixing of the solute). The horizontal solid line indicates the DLiPC-DPPC contact fraction in the absence of solute. The numbers in red circles refer to specific times during the simulation: (1) t = 0 ns, (2) t = 40 ns, (3) t = 300 ns, (4) t = 20 µs. (b) Lipid mixing (expressed as DLiPC-DPPC contact fraction) as a function of linactant molar fraction at 295 K.