Interaction Scheme
Molecule
1-Adamantylammonium chloride
Host
β-CD
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 8396.0 | ± 300.0 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -22.4 | ± 0.09 | -5.35 | ± 0.02 |
| ΔH | = | -22.4 | ± 0.2 | -5.35 | ± 0.05 |
| -TΔS | = | -0.3 | -0.07 | ||
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | 1.0 | 0.2 | ||
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 | 100 mM phosphate pH-7.2 |
| Solvents | water | |
| Source of Concentration | estimated | |
| Total concentration | 100.0 mM | |
| pH | 7.2 |
Please find here information about the dataset this interaction is part of.
| Citation: |
M. Weickenmeier, G. Wenz, SupraBank 2024, Cyclodextrin sidechain polyesters — synthesis and inclusion of adamantan derivatives (dataset). https://doi.org/10.34804/supra.20210928327 |
| Link: | https://doi.org/10.34804/supra.20210928327 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
M. Weickenmeier, G. Wenz, Macromol. Rapid Commun. 1996, 17, 731–736. |
| Link: | https://doi.org/10.1002/marc.1996.030171008 |
| Export: | BibTex | RIS | EndNote |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of 1-Adamantylammonium chloride (0.0023820867079561697 M) and β-CD (0 — 0.004764173415912339 M).
Please sign in: customize the simulation by signing in to the SupraBank.
