Interaction Scheme
Molecule
Tetraethylammonium iodide
Host
sCx4
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 4.68⋅104 | M-1 | |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -26.66 | -6.37 | ||
| ΔH | = | -41.2 | ± 0.8 | -9.85 | ± 0.19 |
| -TΔS | = | 14.5 | ± 1.2 | 3.47 | ± 0.29 |
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | -48.6 | ± 4.0 | -11.6 | ± 1.0 |
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: | syringe | ||
Detailed information about the solvation.
| Solvent System | Single Solvent |
| Solvent | water |
| pH | 2.0 |
Please find here information about the dataset this interaction is part of.
| Citation: |
A. Ghoufi, L. Pison, J. P. Morel, N. Morel-Desrosiers, C. Bonal, P. Malfreyt, SupraBank 2024, Computational and Experimental Investigations of Supramolecular Assemblies of p-Sulfonatocalix[4]arene Organized by Weak Forces (dataset). https://doi.org/10.34804/supra.20210928393 |
| Link: | https://doi.org/10.34804/supra.20210928393 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
A. Ghoufi, L. Pison, J. P. Morel, N. Morel-Desrosiers, C. Bonal, P. Malfreyt, J. Phys. Chem. B 2007, 111, 11478–11485. |
| Link: | https://doi.org/10.1021/jp0721245 |
| Export: | BibTex | RIS | EndNote | |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of Tetraethylammonium iodide (0.0004275924556442311 M) and sCx4 (0 — 0.0008551849112884622 M).
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