Interaction Scheme
Molecule
1,1'-(1,4-phenylenebis(methylene))bis(pyridin-1...
c = 90.0 µM
Host
CB7
c = 0.0 — 232.1 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 5.60⋅105 | M-1 | |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -32.81 | -7.84 |
These are the specifications of the determination of the experimental results.
| Detection Method: | Direct | |||
| Assay Type: | Direct Binding Assay | |||
| Technique: | Absorbance | |||
| 𝛌abs | = | 261.0 nm | ||
Detailed information about the solvation.
| Solvent System | Single Solvent |
| Solvent | water |
| pH | 7.3 |
Please find here information about the dataset this interaction is part of.
| Citation: |
I. Neira, M. D. Garcia, C. Peinador, A. Kaifer, SupraBank 2025, Terminal Carboxylate Effects on the Thermodynamics and Kinetics of Cucurbit[7]uril Binding to Guests Containing a Central Bis(Pyridinium)-Xylylene Site (dataset). https://doi.org/10.34804/supra.20210928220 |
| Link: | https://doi.org/10.34804/supra.20210928220 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
I. Neira, M. D. García, C. Peinador, A. E. Kaifer, J. Org. Chem. 2019, 84, 2325–2329. |
| Link: | https://doi.org/10.1021/acs.joc.8b02993 |
| Export: | BibTex | RIS | EndNote | |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of 1,1'-(1,4-phenylenebis(methylene))bis(pyridin-1-ium-3-carboxylate) (3.571428571428572e-05 M) and CB7 (0 — 7.142857142857143e-05 M).
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