Interaction Scheme
Molecule
Methyl viologen
Host
s-sCx4
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 1.23⋅107 | ± 4.00⋅105 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -40.47 | ± 0.08 | -9.67 | ± 0.02 |
| ΔH | = | -41.0 | ± 0.4 | -9.8 | ± 0.1 |
| -TΔS | = | -0.5 | ± 0.3 | -0.12 | ± 0.07 |
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | 1.7 | ± 1.0 | 0.4 | ± 0.2 |
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 | |
| pH | 7.0 |
Please find here information about the dataset this interaction is part of.
| Citation: |
D. Guo, Y. Liu, K. Wang, H. Zhao, SupraBank 2024, Synthesis of Doubly Ethyl-Bridged Bis(p-sulfonatocalix[4]arene) and Its Supramolecular Polymerization with Viologen Dimer (dataset). https://doi.org/10.34804/supra.2021092864 |
| Link: | https://doi.org/10.34804/supra.2021092864 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
K.-P. Wang, D.-S. Guo, H.-X. Zhao, Y. Liu, Chem. Eur. J. 2014, 20, 4023–4031. |
| Link: | https://doi.org/10.1002/chem.201303344 |
| Export: | BibTex | RIS | EndNote |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of Methyl viologen (1.6260162601626016e-06 M) and s-sCx4 (0 — 3.2520325203252032e-06 M).
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