Interaction Scheme
Molecule
2-Phenoxathiin-2-ylquinoxaline
Host
β-CD
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 2222.8 | ± 131.0 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -19.1 | ± 0.15 | -4.57 | ± 0.04 |
These are the specifications of the determination of the experimental results.
| Detection Method: | Direct | |||
| Assay Type: | Direct Binding Assay | |||
| Technique: | Fluorescence | |||
| 𝛌ex | = | 360.0 nm | ||
| 𝛌em | = | 485.0 nm | ||
| Ibound⁄Ifree | = | 0.5 | ||
Detailed information about the solvation.
| Solvent System | Complex Mixture | |
| Solvents | water | 95.0 % |
| DMF | 5.0 % | |
Please find here information about the dataset this interaction is part of.
| Citation: |
I. Matei, A. Nicolae, M. Hillebrand, SupraBank 2024, Fluorimetric and molecular mechanics study of the inclusion complex of 2-quinoxalinyl-phenoxathiin with β-cyclodextrin (dataset). https://doi.org/10.34804/supra.20210928328 |
| Link: | https://doi.org/10.34804/supra.20210928328 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
I. Matei, A. Nicolae, M. Hillebrand, J Incl Phenom Macrocycl Chem 2007, 57, 597–601. |
| Link: | https://doi.org/10.1007/s10847-006-9278-8 |
| Export: | BibTex | RIS | EndNote | |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of 2-Phenoxathiin-2-ylquinoxaline (0.008997660608241856 M) and β-CD (0 — 0.01799532121648371 M).
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