Interaction Scheme
Molecule
MVI2
Host
stCx4 sodium salt
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 9.33⋅104 | ± | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -28.37 | ± 0.0 | -6.78 | ± 0.0 |
| ΔH | = | -31.98 | ± 0.03 | -7.64 | ± 0.01 |
| -TΔS | = | 3.62 | ± 0.01 | 0.87 | ± 0.0 |
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | -12.1 | ± 0.0 | -2.9 | ± 0.0 |
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 | Buffer System | 100 mM phosphate pH-7.2 |
| Solvents | water | |
| Additives | Disodium hydrog... | 66.6 mM |
| Sodium dihydrog... | 33.4 mM | |
| Source of Concentration | estimated | |
| Total concentration | 100.0 mM | |
| pH | 7.2 |
Please find here information about the dataset this interaction is part of.
| Citation: |
D. Guo, Y. Liu, L. Wang, SupraBank 2024, Highly Effective Binding of Methyl Viologen Dication and Its Radical Cation by p-Sulfonatocalix[4,5]arenes (dataset). https://doi.org/10.34804/supra.20210928146 |
| Link: | https://doi.org/10.34804/supra.20210928146 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
D.-S. Guo, L.-H. Wang, Y. Liu, J. Org. Chem. 2007, 72, 7775–7778. |
| Link: | https://doi.org/10.1021/jo701304g |
| Export: | BibTex | RIS | EndNote | |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of MVI2 (0.00021430386123053494 M) and stCx4 sodium salt (0 — 0.0004286077224610699 M).
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