Interaction Scheme
Molecule
1-methyl-1'-(3-aminiopropyl)-4,4'-bipyridinium
Host
CB7
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 1.40⋅107 | ± 1.00⋅106 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 27.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -41.06 | ± 0.18 | -9.81 | ± 0.04 |
| ΔH | = | -17.57 | ± 0.84 | -4.2 | ± 0.2 |
| -TΔS | = | -23.43 | ± 0.84 | -5.6 | ± 0.2 |
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | 78.1 | ± 2.8 | 18.7 | ± 0.7 |
These are the specifications of the determination of the experimental results.
| Detection Method: | Direct | ||
| Assay Type: | Direct Binding Assay | ||
| Technique: | Isothermal Titration Calorimetry | ||
| Molecule: | syringe | ||
| Partner: | syringe | ||
Detailed information about the solvation.
| Solvent System | Buffer System | 10 mM phosphate pH-7.0 |
| Solvents | water | |
| Source of Concentration | ||
| Total concentration | 10.0 mM | |
| pH | 7.0 |
Please find here information about the dataset this interaction is part of.
| Citation: |
A. R. Urbach, G. A. Vincil, SupraBank 2024, Effects of the number and placement of positive charges on viologen–cucurbit[n]uril interactions (dataset). https://doi.org/10.34804/supra.20210928198 |
| Link: | https://doi.org/10.34804/supra.20210928198 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
G. A. Vincil, A. R. Urbach, Supramolecular Chemistry 2008, 20, 681–687. |
| Link: | https://doi.org/10.1080/10610270701689572 |
| Export: | BibTex | RIS | EndNote |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of 1-methyl-1'-(3-aminiopropyl)-4,4'-bipyridinium (1.4285714285714286e-06 M) and CB7 (0 — 2.8571428571428573e-06 M).
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