Interaction Scheme
Molecule
Thiocyanate
c = 0.0 — 230.0 µM
Host
3,5-trifluoromethylbenzyl-BU
c = 63.0 µM
Indicator
Perrhenate
c = 2830.0 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 8.50⋅109 | ± 1.60⋅109 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 30.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -57.63 | ± 0.48 | -13.77 | ± 0.11 |
These are the specifications of the determination of the experimental results.
| Detection Method: | Competitive | ||
| Assay Type: | Competitive Binding Assay | ||
| Technique: | Nuclear Magnetic Resonance | ||
| Nucleus | H-1 | ||
Detailed information about the solvation.
| Solvent System | Single Solvent |
| Solvent | Acetonitrile-d3 |
Please find here information about the dataset this interaction is part of.
| Citation: |
H. Valkenier, O. Akrawi, P. Jurček, K. Sleziaková, T. Lízal, K. Bartik, V. Šindelář, SupraBank 2024, Fluorinated Bambusurils as Highly Effective and Selective Transmembrane Cl−/HCO3− Antiporters (dataset). https://doi.org/10.34804/supra.2021092826 |
| Link: | https://doi.org/10.34804/supra.2021092826 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
H. Valkenier, O. Akrawi, P. Jurček, K. Sleziaková, T. Lízal, K. Bartik, V. Šindelář, Chem 2019, 5, 429–444. |
| Link: | https://doi.org/10.1016/j.chempr.2018.11.008 |
| Export: | BibTex | RIS | EndNote |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of Thiocyanate (2.352941176470588e-09 M) and 3,5-trifluoromethylbenzyl-BU (0 — 4.705882352941176e-09 M).
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