Interaction Scheme
Molecule
Bis Paraquat
Host
Dodecakis(3‐carboxypropyl)bambus[6]uril
Cofactor
Cl-
c = 50000.0 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 3.50⋅104 | M-1 | |
| Kd = | |||
| logKa = | |||
| T | 30.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -26.37 | -6.3 | ||
| ΔH | = | -16.2 | -3.87 | ||
| -TΔS | = | -10.1 | -2.41 | ||
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | 33.3 | 8.0 | ||
These are the specifications of the determination of the experimental results.
| Detection Method: | Direct | ||
| Assay Type: | Associative Binding Assay | ||
| Technique: | Isothermal Titration Calorimetry | ||
| Molecule: | syringe | ||
| Partner: | cell | ||
| Cofactor: | cell | ||
Detailed information about the solvation.
| Solvent System | Complex Mixture | |
| Solvents | water | |
| Additives | Dipotassium hyd... | 30.0 mM |
| Total concentration | 30.0 mM | |
| pH | 8.0 |
Please find here information about the dataset this interaction is part of.
| Citation: |
K. Sleziakova, M. R. Avei, A. E. Kaifer, V. Sindelar, SupraBank 2024, Binding of bambusuril with bipyridinium guests in water (dataset). https://doi.org/10.34804/supra.202109287 |
| Link: | https://doi.org/10.34804/supra.202109287 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
K. Sleziakova, M. R. Avei, A. E. Kaifer, V. Sindelar, Supramolecular Chemistry 2017, 30, 832–837. |
| Link: | https://doi.org/10.1080/10610278.2017.1395026 |
| Export: | BibTex | RIS | EndNote |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of Bis Paraquat (0.0005714285714285715 M) and Dodecakis(3‐carboxypropyl)bambus[6]uril (0 — 0.001142857142857143 M).
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