Interaction Scheme
Molecule
1-(2-carboxyethyl)-3,5-dimethyl-Pyridinium
Host
CB7
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 4900.0 | M-1 | |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| kin= | ± | M-1s-1 | |
| kout= | 0.0 | ± | s-1 |
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -21.06 | -5.03 |
- Comment
- Final NaOD concentrations not specified.
These are the specifications of the determination of the experimental results.
| Detection Method: | Direct | ||
| Assay Type: | Direct Binding Assay | ||
| Technique: | Nuclear Magnetic Resonance | ||
| Nucleus | 1H | ||
Detailed information about the solvation.
| Solvent System | Complex Mixture | |
| Solvents | Deuterium Oxide | |
| Additives | sodium chloride | 20.0 mM |
| sodium deuteroxide | ||
| Total concentration | 20.0 mM | |
| pH | 11.0 |
Please find here information about the dataset this interaction is part of.
| Citation: |
A. E. Kaifer, V. Sindelar, J. Svec, SupraBank 2024, Effects of cucurbituril size on the binding of a lutidine guest (dataset). https://doi.org/10.34804/supra.20210928105 |
| Link: | https://doi.org/10.34804/supra.20210928105 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
J. Svec, V. Sindelar, A. E. Kaifer, New J. Chem. 2012, 36, 1721. |
| Link: | https://doi.org/10.1039/c2nj40381a |
| Export: | BibTex | RIS | EndNote | |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of 1-(2-carboxyethyl)-3,5-dimethyl-Pyridinium (0.004081632653061225 M) and CB7 (0 — 0.00816326530612245 M).
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