Interaction Scheme
Molecule
3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-6-ethyl...
Host
β-CD
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 340.0 | ± | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -14.45 | ± 0.0 | -3.45 | ± 0.0 |
These are the specifications of the determination of the experimental results.
| Detection Method: | Direct | |||
| Assay Type: | Direct Binding Assay | |||
| Technique: | Fluorescence | |||
| 𝛌ex | = | 316.0 nm | ||
| 𝛌em | = | 434.0 nm | ||
| Ibound⁄Ifree | = | 10.0 | ||
Detailed information about the solvation.
| Solvent System | Complex Mixture | |
| Solvents | water | 98.7 % |
| ethanol | 1.3 % | |
| pH | 5.4 |
Please find here information about the dataset this interaction is part of.
| Citation: |
R. Dondon, S. Fery-Forgues, SupraBank 2024, Inclusion Complex of Fluorescent 4-Hydroxycoumarin Derivatives with Native β-Cyclodextrin: Enhanced Stabilization Induced by the Appended Substituent (dataset). https://doi.org/10.34804/supra.20210928312 |
| Link: | https://doi.org/10.34804/supra.20210928312 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
R. Dondon, S. Fery-Forgues, J. Phys. Chem. B 2001, 105, 10715–10722. |
| Link: | https://doi.org/10.1021/jp010900h |
| Export: | BibTex | RIS | EndNote | |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of 3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-6-ethyl-4-hydroxy-7-methoxy-2H-chromen-2-onety (0.058823529411764705 M) and β-CD (0 — 0.11764705882352941 M).
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