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Average number of water molecules in first solvation shell for choline (N) and average hydration number for phosphate (P) and carbonyl oxygens (Oc) for the lipid headgroup in the ternary DPPC/water/DMSO system
| System | T (K) | Choline | Phosphate | Carbonyl oxygen* |
|---|---|---|---|---|
| Pure | 350 | 19.38 | 4.12 | 1.22 |
| DMSO-A | 350 | 18.74 | 4.06 | 1.21 |
| DMSO-B | 325 | 19.26 | 4.09 | 1.24 |
| 350 | 18.66 | 4.11 | 1.23 | |
| 400 | 18.08 | 4.01 | 1.23 | |
| DMSO-C | 350 | 17.97 | 3.97 | 1.21 |
Mean value between the two carbonyl oxygens.
