Research Article
Construction of a Novel Doxorubicin Nanomedicine Using Bindarit as a Carrier: A Multiscale Computer Simulation-Assisted Design-Based Study
Table 4
The Flory-Huggins interaction parameters calculated by Blends module (unit: kcal/mol).
| | Energies | DOX-BIN | DOX-DOX | DOX-water | BIN-BIN | BIN-water | Water-water |
| | (298 K) | 1.533 | 0 | 52.426 | 0 | 10.768 | 0 | | (298 K) | 0.908 | 0 | 31.046 | 0 | 6.377 | 0 | | (298 K) | -14.95 | -14.95 | -14.95 | -7 | -7 | -1.655 | | (298 K) | -10.73 | -14.95 | -2.076 | -7 | -2.438 | -1.655 | | (298 K) | -7 | -14.95 | -1.655 | -7 | -1.655 | -1.655 | | -15.854 | -15.854 | -15.854 | -9.036 | -9.036 | -2.638 | | -12.06 | -15.854 | -4.885 | -9.036 | -4.762 | -2.638 | | -9.036 | -15.854 | -2.638 | -9.036 | -2.638 | -2.638 | | -2.615 | -2.615 | -2.615 | -1.682 | -1.682 | -0.077 | | -2.106 | -2.615 | -0.537 | -1.682 | -0.435 | -0.077 | | -1.682 | -2.615 | -0.077 | -1.682 | -0.077 | -0.077 | | 2.336 | 2.336 | 2.336 | 5.269 | 5.269 | 3.388 | | 3.638 | 2.336 | 4.966 | 5.269 | 5.228 | 3.388 | | 5.269 | 2.336 | 3.388 | 5.269 | 3.388 | 3.388 | | 5.577 | 5.577 | 5.577 | 5.531 | 5.531 | 5.509 | | 6.088 | 5.577 | 12.171 | 5.531 | 11.748 | 5.509 | | 5.122 | 5.577 | 2.473 | 5.531 | 2.644 | 5.509 | | 5.531 | 5.577 | 5.509 | 5.531 | 5.509 | 5.509 |
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