Interaction Scheme
Molecule
1-Adamantanecarboxylic acid
Host
β-CD
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 2.90⋅105 | M-1 | |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| kin= | 0.0 | ± | M-1s-1 |
| kout= | ± | s-1 | |
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -31.18 | -7.45 | ||
| ΔH | = | -31.51 | ± 0.08 | -7.53 | ± 0.02 |
| -TΔS | = | 0.12 | ± 0.1 | 0.03 | ± 0.02 |
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | -0.4 | ± 0.3 | -0.1 | ± 0.1 |
These are the specifications of the determination of the experimental results.
| Detection Method: | Direct | ||
| Assay Type: | Direct Binding Assay | ||
| Technique: | Isothermal Titration Calorimetry | ||
| Molecule: | syringe | ||
| Partner: | cell | ||
Detailed information about the solvation.
| Solvent System | Complex Mixture | |
| Solvents | water | 100.0 % |
| Additives | Sodium acetate | 20.0 mM |
| Total concentration | 20.0 mM | |
| pH | 4.08 |
Please find here information about the dataset this interaction is part of.
| Citation: |
M. R. Eftink, W. C. Cromwell, K. Bystrom, SupraBank 2024, Cyclodextrin-adamantanecarboxylate inclusion complexes: studies of the variation in cavity size (dataset). https://doi.org/10.34804/supra.20210928295 |
| Link: | https://doi.org/10.34804/supra.20210928295 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
W. C. Cromwell, K. Bystrom, M. R. Eftink, J. Phys. Chem. 1985, 89, 326–332. |
| Link: | https://doi.org/10.1021/j100248a029 |
| Export: | BibTex | RIS | EndNote | |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of 1-Adamantanecarboxylic acid (6.896551724137931e-05 M) and β-CD (0 — 0.00013793103448275863 M).
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