Table 1. Peak Position of the Outer Gaussian and Relative Weights of the Inner and Outer Gaussian Functions Used to Fit the Density Profiles of the Anesthetic and Non-Anesthetic Molecules in the DPPC Membrane and Solvation Free Energy Difference between the Two Preferred Positionsa.
system | |X2|/Å | w1 (%) | w2 (%) | ΔG/kJ mol–1 |
---|---|---|---|---|
DPPC + DE | 10.7 | 43.4 | 56.6 | –0.7 |
DPPC + PE | 12.0 | 84.1 | 15.9 | 4.6 |
DPPC + CF | 11.6 | 22.9 | 77.1 | –3.3 |
DPPC + CT | 11.0 | 70.8 | 29.2 | 2.4 |
The position of the inner Gaussian is always X1 = 0 Å.