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. 2022 Jun 22;9(6):211906. doi: 10.1098/rsos.211906

Table 3.

ΔG (kcal mol−1), λ, κ, kapp, kf, koverall (M−1 s−1) and Γ (%) of the 7OGT + HOO reaction in the physiological media.

mechanisms pentyl ethanoate
water
ΔG κ kapp Γ ΔG κ kapp f kbf Γ
SET H2A 113.2 19.7 7.10 × 10−71 0.0 31.1 19.0a 9.60 × 10−11 0.207 1.99 × 10−11 0.0
HA 9.0 17.1a 1.40 × 106 0.702 9.83 × 105 0.4
A2− 4.3 18.2a 2.90 × 109 0.091 2.64 × 108 99.6
FHT H2A 14.2 59.9 1.40 × 104 100.0 15.8 587.0 9.60 × 103 0.207 1.99 × 103 0.0
koverall 1.40 × 104 2.65 × 108

aλ.

bkf = f.kapp; koverall = ∑kf(kapp).