Interaction Scheme
Molecule
N-methyl pyridinium
Host
sCx4 sodium salt
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 6.40⋅105 | ± 3.00⋅104 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -33.14 | ± 0.12 | -7.92 | ± 0.03 |
| ΔH | = | -31.2 | ± 0.1 | -7.46 | ± 0.02 |
| -TΔS | = | -1.9 | ± 0.1 | -0.45 | ± 0.02 |
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | 6.4 | ± 0.3 | 1.5 | ± 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 | Complex Mixture |
| Solvents | water |
| Additives | Sodium hydroxide |
| pH | 7.0 |
Please find here information about the dataset this interaction is part of.
| Citation: |
D. Guo, Y. Liu, H. Zhao, SupraBank 2024, Binding Behaviors of p-Sulfonatocalix[4]arene with Gemini Guests (dataset). https://doi.org/10.34804/supra.20210928259 |
| Link: | https://doi.org/10.34804/supra.20210928259 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
H.-X. Zhao, D.-S. Guo, Y. Liu, J. Phys. Chem. B 2013, 117, 1978–1987. |
| Link: | https://doi.org/10.1021/jp312744d |
| Export: | BibTex | RIS | EndNote | |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of N-methyl pyridinium (3.125e-05 M) and sCx4 sodium salt (0 — 6.25e-05 M).
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