Table 3. Number of Hydrogen Bonds between Water and a DSPC or an Alcohol/ISIS (A, I) Molecule in the Bilayera.
DSPC | A, I | HB/mol. | τDSPC [ps] | τA,I [ps] | |
---|---|---|---|---|---|
DSPC | 3.29 | 3.29 | 192.3 | ||
(7:1) DSPC–ISIS | 3.58 | 0.40 | 3.19 | 119.1 | 145.0 |
(1:1) DSPC–ISIS | 3.88 | 0.62 | 2.25 | 72.5 | 64.1 |
(7:1) DSPC–C12 | 3.44 | 0.43 | 3.06 | 111.6 | 327.3 |
(3:1) DSPC–C12 | 3.45 | 0.69 | 2.83 | 115.9 | 324.9 |
(1:1) DSPC–C12 | 3.85 | 0.74 | 2.30 | 80.4 | 191.6 |
(1:2) DSPC–C12 | 4.33 | 0.89 | 2.03 | 52.3 | 97.1 |
(1:1) DSPC–C18 | 3.78 | 0.75 | 2.27 | 78.7 | 96.8 |
(1:1) DSPC–C24 | 3.86 | 0.78 | 2.32 | 77.9 | 109.1 |
HB/mol. denotes the average number of water–lipid hydrogen bonds per molecule in the bilayer and τDSPC denotes the average residence time of the water–DSPC and τA,I denotes the water–alcohol/ISIS hydrogen bonds.