𝜈 | Molecule 1 : 1 Host | ||
Ka = | 7.90⋅104 | ± 5000.0 | M-1 |
Kd = | |||
logKa = | |||
T | 25.0 °C | ||
Energy | kJ mol-1 | kcal mol-1 | |||
---|---|---|---|---|---|
ΔG | = | -27.96 | ± 0.16 | -6.68 | ± 0.04 |
ΔH | = | -43.3 | ± 1.2 | -10.35 | ± 0.29 |
-TΔS | = | 15.3 | ± 1.4 | 3.66 | ± 0.33 |
J mol-1 K-1 | cal mol-1 K-1 | ||||
ΔS | = | -51.3 | ± 4.7 | -12.3 | ± 1.1 |
Detection Method: | Direct | ||
Assay Type: | Associative Binding Assay | ||
Technique: | Isothermal Titration Calorimetry | ||
Molecule: | syringe | ||
Partner: | cell | ||
Cofactor: | cell |
Solvent System | Buffer System | 10 mM phosphate pH-7.0 |
Solvents | water | |
Source of Concentration | ||
Total concentration | 10.0 mM | |
pH | 7.0 |
Citation: |
W. M. Nau, O. A. Scherman, F. Biedermann, A. De Simone, M. Vendruscolo, SupraBank 2025, Cucurbit[8]uril and Blue-Box: High-Energy Water Release Overwhelms Electrostatic Interactions (dataset). https://doi.org/10.34804/supra.20210928368 |
Link: | https://doi.org/10.34804/supra.20210928368 |
Export: | BibTex | RIS | EndNote |
Citation: |
F. Biedermann, M. Vendruscolo, O. A. Scherman, A. De Simone, W. M. Nau, J. Am. Chem. Soc. 2013, 135, 14879–14888. |
Link: | https://doi.org/10.1021/ja407951x |
Export: | BibTex | RIS | EndNote | |
The plot depicts the binding isotherm simulation of a 1:1 interaction of 2-Chlorophenol (0.00025316455696202533 M) and CB8 (0 — 0.0005063291139240507 M).