Interaction Scheme
Molecule
Tetrapropylammonium chloride
c = 1000.0 µM
Host
sCx4
c = 0.0 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 2.95⋅104 | ± | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -25.51 | ± NaN | -6.1 | ± NaN |
| ΔH | = | -23.8 | ± 0.3 | -5.69 | ± 0.07 |
| -TΔS | = | -1.7 | ± 0.6 | -0.41 | ± 0.14 |
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | 5.7 | ± 2.0 | 1.4 | ± 0.5 |
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 | Complex Mixture |
| Solvents | water |
| Additives | hydrochloric acid |
| pH | 2.0 |
Please find here information about the dataset this interaction is part of.
| Citation: |
J. Morel, N. Morel-Desrosiers, C. Bonal, Y. Israëli, SupraBank 2024, Binding of inorganic and organic cations by p-sulfonatocalix[4]arene in water: a thermodynamic study (dataset). https://doi.org/10.34804/supra.20210928382 |
| Link: | https://doi.org/10.34804/supra.20210928382 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
C. Bonal, Y. Israëli, J.-P. Morel, N. Morel-Desrosiers, J. Chem. Soc., Perkin Trans. 2 2001, 1075–1078. |
| Link: | https://doi.org/10.1039/B102038M |
| Export: | BibTex | RIS | EndNote | |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of Tetrapropylammonium chloride (0.0006776883643279754 M) and sCx4 (0 — 0.0013553767286559508 M).
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