Interaction Scheme
Molecule
Ca2+
c = 0.0 — 25000.0 µM
Host
Cx4
c = 1600.0 µM
Indicator
2,3-Diazabicyclo(2.2.2)oct-2-ene
c = 1000.0 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 3820.0 | ± 382.0 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -20.45 | ± 0.25 | -4.89 | ± 0.06 |
| ΔH | = | 4.0 | 0.96 | ||
| -TΔS | = | -23.0 | -5.5 | ||
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | 77.1 | 18.4 | ||
These are the specifications of the determination of the experimental results.
| Detection Method: | Competitive | |||
| Assay Type: | Competitive Binding Assay | |||
| Technique: | Fluorescence | |||
| 𝛌ex | = | 365.0 nm | ||
Detailed information about the solvation.
| Solvent System | Complex Mixture |
| Solvents | Deuterium Oxide |
| Additives | sodium deuteroxide |
| pH | 7.4 |
Please find here information about the dataset this interaction is part of.
| Citation: |
W. M. Nau, H. Bakirci, A. L. Koner, SupraBank 2024, Binding of inorganic cations by p-sulfonatocalix[4]arene monitored through competitive fluorophore displacement in aqueous solution (dataset). https://doi.org/10.34804/supra.20210928275 |
| Link: | https://doi.org/10.34804/supra.20210928275 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
H. Bakirci, A. L. Koner, W. M. Nau, Chem. Commun. 2005, 5411. |
| Link: | https://doi.org/10.1039/B510319C |
| Export: | BibTex | RIS | EndNote | |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of Ca2+ (0.005235602094240838 M) and Cx4 (0 — 0.010471204188481676 M).
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