Interaction Scheme
Molecule
1-adamantane carboxylate
Host
β-CD
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 3.24⋅104 | ± 2400.0 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -25.75 | ± 0.18 | -6.15 | ± 0.04 |
| ΔH | = | -21.48 | ± 0.04 | -5.13 | ± 0.01 |
| -TΔS | = | -4.26 | ± 0.09 | -1.02 | ± 0.02 |
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | 14.3 | ± 0.3 | 3.4 | ± 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 | Buffer System | 10 mM pyrophosphate buffer pH 8.50 |
| Solvents | water | |
| Additives | Sodium pyrophos... | 10.0 mM |
| Source of Concentration | estimated | |
| Total concentration | 10.0 mM | |
| pH | 8.5 |
Please find here information about the dataset this interaction is part of.
| Citation: |
L. Briggner, X. Ni, F. Tempesti, I. Wadsö, SupraBank 2024, Microcalorimetric titration of β-cyclodextrine with adamantane-1-carboxylate (dataset). https://doi.org/10.34804/supra.20210928267 |
| Link: | https://doi.org/10.34804/supra.20210928267 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
L.-E. Briggner, X.-R. Ni, F. Tempesti, I. Wadsö, Thermochimica Acta 1986, 109, 139–143. |
| Link: | https://doi.org/10.1016/0040-6031(86)85015-8 |
| Export: | BibTex | RIS | EndNote |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of 1-adamantane carboxylate (0.0006172839506172839 M) and β-CD (0 — 0.0012345679012345679 M).
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