Interaction Scheme
Molecule
1,2-Phenylenediamine
Host
CB7
Indicator
Prilocaine
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 2.60⋅104 | ± 6000.0 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -25.2 | ± 0.58 | -6.02 | ± 0.14 |
These are the specifications of the determination of the experimental results.
| Detection Method: | Competitive | ||
| Assay Type: | Competitive Binding Assay | ||
| Technique: | Nuclear Magnetic Resonance | ||
Detailed information about the solvation.
| Solvent System | Complex Mixture | |
| Solvents | Deuterium Oxide | |
| Additives | Deuterium chloride | 25.0 mM |
| Total concentration | 75.0 mM | |
| pH | 4.75 |
Please find here information about the dataset this interaction is part of.
| Citation: |
I. W. Wyman, D. H. Macartney, SupraBank 2024, Host–guest complexations of local anaesthetics by cucurbit[7]uril in aqueous solution (dataset). https://doi.org/10.34804/supra.20210928152 |
| Link: | https://doi.org/10.34804/supra.20210928152 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
I. W. Wyman, D. H. Macartney, Org. Biomol. Chem. 2010, 8, 247–252. |
| Link: | https://doi.org/10.1039/b915694a |
| Export: | BibTex | RIS | EndNote | |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of 1,2-Phenylenediamine (0.0007692307692307692 M) and CB7 (0 — 0.0015384615384615385 M).
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