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. 2021 Dec 16;10(12):2006. doi: 10.3390/antiox10122006

Table 6.

Gibbs free energy of reaction (ΔG, kcal/mol) and rate constants (k, M–1 s–1) for the f-HAT reactions between PhAs-Cu(II) and OH.

PhAs-Cu(II) ∆G k
Hn−2COA–2-(2)-C2
from H2O
−42.21 2.81 × 109
Hn−2FLA–2-(2)-C5
from H2O
−41.90 8.07 × 109
Hn−2FLA–2-(2)-C5
from FLA (site OCH3)
−23.63 8.06 × 109
Hn−2FLA–2-(2)-C2
from H2O
−46.28 8.08 × 109
Hn−2FLA–2-(2)-C2
from FLA (site OCH3)
−21.83 8.08 × 109
Hn−2PRA–2-(2)-C7
from H2O
−46.80 7.96 × 109
Hn−2GAA–2-(2)-C7
from GAA (site OH)
−51.76 8.03 × 109
Hn−2GAA–2-(2)-C7
from H2O
−47.55 8.03 × 109