Interaction Scheme
Molecule
Tetramethylammonium chloride
Host
sCX4-CCOOH
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 3162.28 | M-1 | |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -19.98 | -4.78 | ||
| ΔH | = | -24.2672 | -5.8 | ||
| -TΔS | = | 3.7656 | 0.9 | ||
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | -12.6 | -3.0 | ||
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 | 7.0 |
Please find here information about the dataset this interaction is part of.
| Citation: |
G. Arena, F. G. Gulino, D. Sciotto, A. Casnati, A. Contino, R. Ungaro, SupraBank 2024, Entropic origin of the sulfonate groups’ electrostatic assistance in the complexation of quaternary ammonium cations by water soluble calix[4]arenes (dataset). https://doi.org/10.34804/supra.20210928389 |
| Link: | https://doi.org/10.34804/supra.20210928389 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
G. Arena, A. Casnati, A. Contino, F. G. Gulino, D. Sciotto, R. Ungaro, J. Chem. Soc., Perkin Trans. 2 2000, 419–423. |
| Link: | https://doi.org/10.1039/A909847J |
| Export: | BibTex | RIS | EndNote | |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of Tetramethylammonium chloride (0.006324550640676979 M) and sCX4-CCOOH (0 — 0.012649101281353959 M).
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