Table 1:
OA | TEMOA | |||||||
---|---|---|---|---|---|---|---|---|
Guests |
Kab M−1 |
∆Gc kcal/mol |
∆Hd kcal/mol |
–T∆Se kcal/mol |
Kab M−1 |
∆Gc kcal/mol |
∆Hd kcal/mol |
–T∆Se kcal/mol |
G0 | 1.47 E04 | –5.68 | –4.84 | –0.84 | 2.81 E04 | –6.06 | –7.85 | 1.77 |
G1 | 2.57 E03 | –4.65 | –5.52 | 0.86 | 2.40 E04 | –5.97 | –8.25 | 2.27 |
G2 | 1.40 E06 | –8.38 | –12.07 | 3.69 | 9.82 E04 | –6.81 | –9.27 | 2.46 |
G3 | 6.21 E03 | –5.18 | –7.53 | 2.35 | 1.28 E04 | –5.60 | –8.86 | 3.25 |
G4 | 1.64 E05 | –7.11 | –6.92 | –0.19 | 5.12 E05 | –7.79 | –8.87 | 1.08 |
G5 | 2.33 E03 | –4.59 | –5.31 | 0.71 | 1.13 E03 | –4.16 | –7.96 | 3.80 |
G6 | 4.37 E03 | –4.97 | –5.29 | 0.33 | 9.12 E03 | –5.40 | –6.19 | 0.79 |
G7 | 3.60 E04 | –6.22 | –7.44 | 1.23 | 1.07 E03 | –4.13 | –8.33 | 4.20 |
25 ˚C, 50 mM sodium phosphate buffer, pH = 11.5.
Errors in Ka were < 4% in all cases (see SI for specific values).
Calculated error in ∆G is negligible due to the logarithmic relationship with Ka.
Errors in ∆H were < 4% in all cases (see SI for specific values).
Errors in –T∆S were < 14% in all cases (see SI for specific values).