Interaction Scheme
Molecule
1-(2-carboxyethyl)-3,5-dimethyl-Pyridinium
Host
CB7
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 1.90⋅105 | ± 4.00⋅104 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -30.13 | ± 0.53 | -7.2 | ± 0.13 |
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 | ||
| = | 0.4 ppm | ||
Detailed information about the solvation.
| Solvent System | Complex Mixture | |
| Solvents | Deuterium Oxide | |
| Additives | sodium chloride | 20.0 mM |
| Total concentration | 20.0 mM | |
| pH | 3.0 |
Please find here information about the dataset this interaction is part of.
| Citation: |
A. E. Kaifer, V. Sindelar, J. Svec, SupraBank 2025, 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 (0.00010526315789473685 M) and CB7 (0 — 0.0002105263157894737 M).
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