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. 2020 Apr 30;142(21):9792–9802. doi: 10.1021/jacs.0c03444

Table 1. Thermodynamic and Kinetic Data for trans Guest Binding and Isomerization Inside the Cage.

guest ΔG [kcal/mol] τoff [s] Kb [M–1] koff [s–1] kona [M–1 s–1] τtrans–cis [s]
AZB –5.3 ± 0.3 (3.9 ± 0.2) × 10–4 7.87 × 103 2.65 × 103 2.1 × 107 (1.05 ± 0.05) × 10–12
M-AZB –7.9 ± 1.3 (1.2 ± 0.1) × 10–2 6.41 × 105 8.3 × 101 5.32 × 107 (1.00 ± 0.05) × 10–10
F-AZB –5.3 ± 0.9 (3.8 ± 0.1) × 10–3 7.87 × 103 2.63 × 102 2.1 × 106 (3.0 ± 0.1) × 10–12
AZP –5.7 ± 0.8 (4.2 ± 0.1) × 10–4 1.55 × 104 2.38 × 103 3.7 × 107 (1.25 ± 0.05) × 10–12
a

Guest concentration in the model systems is ∼11.4 mM; to obtain the effective kon values in [s–1], the values in the table should be multiplied by 11.4 mM.