Interaction Scheme
Molecule
butylammonium
Host
sCx4
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 1.02⋅104 | ± 235.64 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -22.89 | ± 0.06 | -5.47 | ± 0.01 |
| ΔH | = | -17.94 | ± 0.07 | -4.29 | ± 0.02 |
| -TΔS | = | -4.94 | ± 0.09 | -1.18 | ± 0.02 |
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | 16.6 | ± 0.3 | 4.0 | ± 0.1 |
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 | 7.1 |
Please find here information about the dataset this interaction is part of.
| Citation: |
F. Perret, J. Morel, N. Morel-Desrosiers, SupraBank 2024, Thermodynamics of the Complexation of the p-Sulfonatocalix[4]arene with Simple Model Guests in Water: a Microcalorimetric Study (dataset). https://doi.org/10.34804/supra.2021092853 |
| Link: | https://doi.org/10.34804/supra.2021092853 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
F. Perret, J.-P. Morel, N. Morel-Desrosiers, Supramolecular Chemistry 2003, 15, 199–206. |
| Link: | https://doi.org/10.1080/1061027031000078275 |
| Export: | BibTex | RIS | EndNote |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of butylammonium (0.0019544744271679762 M) and sCx4 (0 — 0.0039089488543359524 M).
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