Interaction Scheme
Molecule
Bisphenol A
c = 10.0 µM
Host
β-CD
c = 0.0 — 2000.0 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 6.10⋅104 | ± 1.00⋅104 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 35.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -28.23 | ± 0.42 | -6.75 | ± 0.1 |
These are the specifications of the determination of the experimental results.
| Detection Method: | Direct | |||
| Assay Type: | Direct Binding Assay | |||
| Technique: | Fluorescence | |||
| 𝛌ex | = | 276.0 nm | ||
| 𝛌em | = | 305.0 nm | ||
| Ibound⁄Ifree | = | 23.0 | ||
Detailed information about the solvation.
| Solvent System | Single Solvent |
| Solvent | water |
Please find here information about the dataset this interaction is part of.
| Citation: |
S. Chelli, M. Majdoub, M. Jouini, S. Aeiyach, F. Maurel, K. I. Chane-Ching, P. Lacaze, SupraBank 2024, Host–guest complexes of phenol derivatives with β-cyclodextrin: an experimental and theoretical investigation (dataset). https://doi.org/10.34804/supra.20210928257 |
| Link: | https://doi.org/10.34804/supra.20210928257 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
S. Chelli, M. Majdoub, M. Jouini, S. Aeiyach, F. Maurel, K. I. Chane-Ching, P.-C. Lacaze, J. Phys. Org. Chem. 2007, 20, 30–43. |
| Link: | https://doi.org/10.1002/poc.1122 |
| Export: | BibTex | RIS | EndNote |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of Bisphenol A (0.0003278688524590164 M) and β-CD (0 — 0.0006557377049180328 M).
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