Interaction Scheme
Molecule
Benzyltrimethylammonium
c = 0.0 — 25000.0 µM
Host
Triphenylene receptor
c = 1000.0 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 277.0 | ± 41.55 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -13.94 | ± 0.37 | -3.33 | ± 0.09 |
These are the specifications of the determination of the experimental results.
| Detection Method: | Direct | ||
| Assay Type: | Direct Binding Assay | ||
| Technique: | Nuclear Magnetic Resonance | ||
| = | 0.41 ppm | ||
Detailed information about the solvation.
| Solvent System | Buffer System | 100 mM deuterated phosphate pD-7.1 |
| Solvents | Deuterium Oxide | |
| Additives | Disodium hydrog... | 100.0 mM |
| Source of Concentration | ||
| Total concentration | 100.0 mM | |
| pH | 7.1 |
Please find here information about the dataset this interaction is part of.
| Citation: |
C. Givelet, B. Bibal, SupraBank 2024, A simple ionic triphenylene receptor for catecholamines, serotonin and d-glucosamine in buffered water (dataset). https://doi.org/10.34804/supra.2021092822 |
| Link: | https://doi.org/10.34804/supra.2021092822 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
C. Givelet, B. Bibal, Org. Biomol. Chem. 2011, 9, 7457. |
| Link: | https://doi.org/10.1039/c1ob06099f |
| Export: | BibTex | RIS | EndNote | |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of Benzyltrimethylammonium (0.07220216606498195 M) and Triphenylene receptor (0 — 0.1444043321299639 M).
Please sign in: customize the simulation by signing in to the SupraBank.
