Interaction Scheme
Molecule
1-Adamantanecarboxylic acid
Host
β-CD
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 3.30⋅104 | M-1 | |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -25.79 | -6.16 | ||
| ΔH | = | -22.59 | ± 0.42 | -5.4 | ± 0.1 |
| -TΔS | = | -3.117 | ± 0.623 | -0.74 | ± 0.15 |
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | 10.5 | ± 2.1 | 2.5 | ± 0.5 |
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: | syringe | ||
Detailed information about the solvation.
| Solvent System | Buffer System | 30 mM phosphate pH-7.2 |
| Solvents | water | |
| Additives | dihydrogen phos... | |
| hydrogenphosphate | ||
| Source of Concentration | estimated | |
| Total concentration | 30.0 mM | |
| pH | 7.2 |
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 (0.0006060606060606061 M) and β-CD (0 — 0.0012121212121212121 M).
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