Table 1.
Lattice points |
Polymer number |
Drug releasea) |
Actual compositions, % |
Model compositions b) |
Model name | ||||
---|---|---|---|---|---|---|---|---|---|
DTE | DT | PEG1K | DTE | DT | PEG1K | ||||
Vertex | 1 | 0.0984 | 100 | 0 | 0 | 13 | 0 | 0 | pc13-0-0* |
Vertex | 2 | 0.0035 | 88 | 12 | 0 | 12 | 2 | 0 | pc12-2-0 charge4* |
Vertex | 3 | 0.1305 | 82 | 0 | 18 | 11 | 0 | 2 | pc11-0-2 |
Vertex | 4 | 0.1544 | 70 | 12 | 18 | 9 | 2 | 2 | pc9-2-2-charge4* |
Third-edge | 5 | 0.0489 | 96 | 4 | 0 | 13 | 1 | 0 | pc13-1-0 |
Third-edge | 6 | 0.0119 | 92 | 8 | 0 | 12 | 1 | 0 | pc12-1-0 |
Third-edge | 7 | 0.0148 | 94 | 0 | 6 | 13 | 0 | 1 | pc13-0-1 |
Third-edge | 8 | 0.0966 | 88 | 0 | 12 | 12 | 0 | 2 | pc12-0-2 |
Third-edge | 9 | 0.1108 | 82 | 12 | 6 | 11 | 2 | 1 | pc11-2-1 |
Third-edge | 10 | 0.1336 | 76 | 12 | 12 | 10 | 2 | 2 | pc10-2-2-charge4* |
Third-edge | 11 | 0.1188 | 78 | 4 | 18 | 10 | 1 | 2 | - |
Third-edge | 12 | 0.1156 | 74 | 8 | 18 | 10 | 1 | 2 | - |
Axial | 13 | 0.0093 | 92.5 | 3 | 4.5 | 12 | 0 | 1 | pc12-0-1 |
Axial | 14 | 0.0194 | 86.5 | 9 | 4.5 | 12 | 1 | 1 | pc12-1-1-charge2* |
Axial | 15 | 0.1179 | 83.5 | 3 | 13.5 | 11 | 0 | 2 | - |
Axial | 16 | 0.1209 | 77.5 | 9 | 13.5 | 10 | 1 | 2 | pc10-1-2 |
Centroid | 17 | 0.1092 | 85 | 6 | 9 | 11 | 1 | 1 | pc11-1-1-charge2* |
Average cumulative fractional drug release recorded after 84 days
Model compositions are expressed in number(s) of repeat units where each unit of DTE, DT and PEG1K contains 49, 42 and 157 atoms, respectively
Polymers selected for MD simulations