Interaction Scheme
Molecule
4-Isopropylphenol
Host
β-CD
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 1700.0 | ± 700.0 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -18.44 | ± 1.09 | -4.41 | ± 0.26 |
These are the specifications of the determination of the experimental results.
| Detection Method: | Direct | ||
| Assay Type: | Direct Binding Assay | ||
| Technique: | Fluorescence | ||
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 4-Isopropylphenol (0.011764705882352941 M) and β-CD (0 — 0.023529411764705882 M).
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