Interaction Scheme
Molecule
Pyrocatechol
c = 0.0 — 10990.0 µM
Host
5-[4-[2-(dihydroxyboryl)benzylaminomethyl]benzo...
c = 1040.0 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 46.0 | ± 1.38 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 20.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -9.33 | ± 0.07 | -2.23 | ± 0.02 |
These are the specifications of the determination of the experimental results.
| Detection Method: | Direct | ||
| Assay Type: | Direct Binding Assay | ||
| Technique: | Nuclear Magnetic Resonance | ||
| Nucleus | 1H | ||
Detailed information about the solvation.
| Solvent System | Buffer System | 100 mM deuterated phosphate pD-7.0 |
| Solvents | Deuterium Oxide | 100.0 % |
| Additives | Disodium hydrog... | 57.8 mM |
| Sodium dihydrog... | 42.2 mM | |
| Source of Concentration | ||
| Total concentration | 100.0 mM | |
| pH | 7.0 |
Please find here information about the dataset this interaction is part of.
| Citation: |
T. Schrader, M. Maue, SupraBank 2024, A Color Sensor for Catecholamines (dataset). https://doi.org/10.34804/supra.20210928137 |
| Link: | https://doi.org/10.34804/supra.20210928137 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
M. Maue, T. Schrader, Angew. Chem. Int. Ed. 2005, 44, 2265–2270. |
| Link: | https://doi.org/10.1002/anie.200462702 |
| Export: | BibTex | RIS | EndNote |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of Pyrocatechol (0.43478260869565216 M) and 5-[4-[2-(dihydroxyboryl)benzylaminomethyl]benzoylamino]-1,3-xylylenebis(phosphonic acid lithium methyl) ester salt (0 — 0.8695652173913043 M).
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