Table 1.
Host–guest binding affinities and thermodynamic values
| Host | Guest | Ka, M−1, UV-Vis | Ka, M−1, ITC | ΔG, kcal/mol, UV-Vis | ΔG, kcal/mol, ITC | ΔH, kcal/mol | TΔS, kcal/mol |
|---|---|---|---|---|---|---|---|
| 1 | Acetate | 5.3 ± 1.4 × 102 | Enthalpically neutral | −3.70 ± 0.16 | |||
| Succinate | 5.5 ± 1.7 × 103 | 2.57 ± 0.28 × 103 | −5.08 ± 0.19 | −4.66 ± 0.07 | −0.14 ± 0.04 | 4.52 ± 0.08 | |
| Glutarate | 1.36 ± 0.15 × 103 | −4.28 ± 0.07 | 0.73 ± 0.21 | 5.01 ± 0.22 | |||
| Tricarballate | 2.34 ± 0.26 × 103 | −4.60 ± 0.07 | −1.16 ± 0.33 | 3.44 ± 0.34 | |||
| Tetracarboxylate | 1.94 ± 0.21 × 104 | −5.86 ± 0.07 | −1.95 ± 0.56 | 3.91 ± 0.56 | |||
| 2 | Acetate | 3.5 ± 0.3 × 101 | 1.61 ± 0.18 × 101 | −2.11 ± 0.05 | −1.65 ± 0.07 | 1.45 ± 0.16 | 3.10 ± 0.17 |
| Succinate | 1.7 ± 0.1 × 102 | 1.15 ± 0.13 × 102 | −3.05 ± 0.04 | −2.81 ± 0.07 | 1.01 ± 0.29 | 3.82 ± 0.30 | |
| Glutarate | 1.08 ± 0.12 × 102 | −2.78 ± 0.07 | 1.61 ± 0.46 | 4.39 ± 0.47 | |||
| 3 | Acetate | 1.29 ± 0.14 × 101 | −1.52 ± 0.05 | 0.31 ± 0.09 | 1.83 ± 0.10 | ||
| Succinate | 3.39 ± 0.37 × 101 | −2.09 ± 0.07 | −0.16 ± 0.05 | 1.93 ± 0.09 | |||
| Glutarate | 5.29 ± 0.58 × 101 | −2.36 ± 0.06 | 0.31 ± 0.09 | 2.67 ± 0.11 |