Table 6. Results Calculated by the ONIOM Study of the Protein–Polyphenol Complexes.
| bond dissociation enthalpy (kcal/mol) | ionization enthalpy (kcal/mol) | |||
|---|---|---|---|---|
| polyphenols | free | bound | free | bound |
| apigenin | 200.8 | 115.2 | 94.1 | 62.2 |
| luteolin | 257.2 | 207.7 | 194.5 | 97.3 |
| eriodictyol | 414.2 | 463.5 | 202.3 | 232.4 |