Interaction Scheme
Molecule
Cl-
Host
Pyrrole trifluoro acrylonitrile
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 1.80⋅104 | ± 2700.0 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -24.29 | ± 0.37 | -5.81 | ± 0.09 |
- Comment
- Counter ion is tetra-n-butylammonium cation.
These are the specifications of the determination of the experimental results.
| Detection Method: | Direct | ||
| Assay Type: | Direct Binding Assay | ||
| Technique: | Fluorescence | ||
Detailed information about the solvation.
| Solvent System | Single Solvent |
| Solvent | acetonitrile |
Please find here information about the dataset this interaction is part of.
| Citation: |
T. Minami, P. Anzenbacher, Y. Liu, R. Nishiyabu, Z. Wang, SupraBank 2024, Sensing of Carboxylate Drugs in Urine by a Supramolecular Sensor Array (dataset). https://doi.org/10.34804/supra.20221104464 |
| Link: | https://doi.org/10.34804/supra.20221104464 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
Y. Liu, T. Minami, R. Nishiyabu, Z. Wang, P. Anzenbacher Jr., J. Am. Chem. Soc. 2013, 135, 7705–7712. |
| Link: | https://doi.org/10.1021/ja4015748 |
| Export: | BibTex | RIS | EndNote | |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of Cl- (0.0011111111111111111 M) and Pyrrole trifluoro acrylonitrile (0 — 0.0022222222222222222 M).
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