Interaction Scheme
Molecule
N-TEG-N'-(3,5-dimethylbenzyl)-4,4'-bipyridinium
c = 12.5 µM
Host
CB7
c = 2.5 — 2000.0 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 1.10⋅105 | ± 1.00⋅104 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -28.78 | ± 0.23 | -6.88 | ± 0.05 |
These are the specifications of the determination of the experimental results.
| Detection Method: | Direct | |||
| Assay Type: | Direct Binding Assay | |||
| Technique: | Absorbance | |||
| 𝛌abs | = | 260.0 nm | ||
Detailed information about the solvation.
| Solvent System | Buffer System | acetate pH-4.5 |
| Solvents | water | 100.0 % |
| Additives | Perchloric acid | |
| Sodium acetate | ||
| Source of Concentration | ||
| Total concentration | 50.0 mM | |
| pH | 4.5 |
Please find here information about the dataset this interaction is part of.
| Citation: |
R. L. Halterman, J. Kalmár, S. B. Ellis, M. T. Ashby, SupraBank 2024, Kinetics of Formation of the Host–Guest Complex of a Viologen with Cucurbit[7]uril (dataset). https://doi.org/10.34804/supra.2021092869 |
| Link: | https://doi.org/10.34804/supra.2021092869 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
J. Kalmár, S. B. Ellis, M. T. Ashby, R. L. Halterman, Org. Lett. 2012, 14, 3248–3251. |
| Link: | https://doi.org/10.1021/ol300911a |
| Export: | BibTex | RIS | EndNote | |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of N-TEG-N'-(3,5-dimethylbenzyl)-4,4'-bipyridinium (0.0001818181818181818 M) and CB7 (0 — 0.0003636363636363636 M).
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