Interaction Scheme
Molecule
Pyridinium, 1,1'-[(2-carboxy-1,4-phenylen...
Host
CB7
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka < | 0.001 | M-1 | |
| Kd < | |||
| logKa < | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | > | 17.12 | 4.09 |
- Comment
- No interaction
These are the specifications of the determination of the experimental results.
| Detection Method: | Direct | ||
| Assay Type: | Direct Binding Assay | ||
| Technique: | Nuclear Magnetic Resonance | ||
Detailed information about the solvation.
| Solvent System | Buffer System | deuterated phosphate pD-12.72 |
| Solvents | Deuterium Oxide | |
| Additives | phosphate | |
| Source of Concentration | estimated | |
| pH | 12.32 |
Please find here information about the dataset this interaction is part of.
| Citation: |
V. Sindelar, V. Kolman, P. Kulhanek, SupraBank 2024, Inclusion of Carboxyl Function Inside of Cucurbiturils and its Use in Molecular Switches (dataset). https://doi.org/10.34804/supra.2021092895 |
| Link: | https://doi.org/10.34804/supra.2021092895 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
V. Kolman, P. Kulhanek, V. Sindelar, Chem. Asian J. 2010, 5, 2386–2392. |
| Link: | https://doi.org/10.1002/asia.201000388 |
| Export: | BibTex | RIS | EndNote |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of Pyridinium, 1,1'-[(2-carboxy-1,4-phenylene)bis(methylene)]bis- (20000.0 M) and CB7 (0 — 40000.0 M).
Please sign in: customize the simulation by signing in to the SupraBank.
