Interaction Scheme
Molecule
Na+
Host
sCx4
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 143.0 | ± 9.0 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 65.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -13.95 | ± 0.18 | -3.33 | ± 0.04 |
| ΔH | = | 14.2 | ± 0.1 | 3.39 | ± 0.02 |
| -TΔS | = | -28.1 | ± 0.1 | -6.72 | ± 0.02 |
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | 83.1 | ± 0.3 | 19.9 | ± 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: | cell | ||
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: |
W. M. Nau, L. García-Río, V. Francisco, A. Piñeiro, SupraBank 2024, The “True” Affinities of Metal Cations top-Sulfonatocalix[4]arene: A Thermodynamic Study at Neutral pH Reveals a Pitfall Due to Salt Effects in Microcalorimetry (dataset). https://doi.org/10.34804/supra.20210928390 |
| Link: | https://doi.org/10.34804/supra.20210928390 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
V. Francisco, A. Piñeiro, W. M. Nau, L. García-Río, Chem. Eur. J. 2013, 19, 17809–17820. |
| Link: | https://doi.org/10.1002/chem.201302365 |
| Export: | BibTex | RIS | EndNote |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of Na+ (0.13986013986013987 M) and sCx4 (0 — 0.27972027972027974 M).
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