Interaction Scheme
Molecule
1,4-diammoniumbutane
Host
sCx4
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 1.05⋅104 | ± 2185.56 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -22.95 | ± 0.53 | -5.49 | ± 0.13 |
| ΔH | = | -13.5 | ± 0.3 | -3.23 | ± 0.07 |
| -TΔS | = | -9.5 | ± 0.8 | -2.27 | ± 0.19 |
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | 31.9 | ± 2.7 | 7.6 | ± 0.6 |
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 | 7.5 |
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 1,4-diammoniumbutane (0.0019099843476782707 M) and sCx4 (0 — 0.0038199686953565414 M).
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