Interaction Scheme
Molecule
L-Adrenaline
c = 0.0 — 5000.0 µM
Host
Boronic acid-containing coumarin aldehyde
c = 10.0 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 5000.0 | ± 1000.0 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 37.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -21.96 | ± 0.5 | -5.25 | ± 0.12 |
These are the specifications of the determination of the experimental results.
| Detection Method: | Direct | |||
| Assay Type: | Direct Binding Assay | |||
| Technique: | Fluorescence | |||
| 𝛌ex | = | 484.0 nm | ||
| 𝛌em | = | 505.0 nm | ||
| Ibound⁄Ifree | = | 0.76 | ||
Detailed information about the solvation.
| Solvent System | Complex Mixture | |
| Solvents | water | |
| Additives | Sodium thiosulfate | 100.0 mM |
| Hepes | 50.0 mM | |
| sodium chloride | 20.0 mM | |
| Total concentration | 170.0 mM | |
| pH | 7.0 |
Please find here information about the dataset this interaction is part of.
| Citation: |
K. E. Secor, T. E. Glass, SupraBank 2024, Selective Amine Recognition: Development of a Chemosensor for Dopamine and Norepinephrine (dataset). https://doi.org/10.34804/supra.20210928162 |
| Link: | https://doi.org/10.34804/supra.20210928162 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
K. E. Secor, T. E. Glass, Org. Lett. 2004, 6, 3727–3730. |
| Link: | https://doi.org/10.1021/ol048625f |
| Export: | BibTex | RIS | EndNote | |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of L-Adrenaline (0.004 M) and Boronic acid-containing coumarin aldehyde (0 — 0.008 M).
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