Interaction Scheme
Molecule
Cetrimonium bromide
c = 130.0 µM
Host
CB7
c ≈ 0.0 — 260.0 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 2.65⋅106 | ± 1.22⋅105 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -36.66 | ± 0.11 | -8.76 | ± 0.03 |
| ΔH | = | -42.8 | ± 0.11 | -10.23 | ± 0.03 |
| -TΔS | = | 6.14 | 1.47 | ||
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | -20.6 | -4.9 | ||
These are the specifications of the determination of the experimental results.
| Detection Method: | Direct | ||
| Assay Type: | Direct Binding Assay | ||
| Technique: | Isothermal Titration Calorimetry | ||
| Instrument: | MicroCal VP-ITC | ||
| VCell | = | 1400.0 𝜇L | |
| VSyringe | = | 350.0 𝜇L | |
| cmolecule | = | 130.0 𝜇M cell | |
| cpartner | = | 1760.0 𝜇M syringe | |
Detailed information about the solvation.
| Solvent System | Single Solvent |
| Solvent | water |
Please find here information about the dataset this interaction is part of.
| Citation: |
M. Pessêgo, J. A. Moreira, L. Garcia-Rio, SupraBank 2024, Evidence of Higher Complexes Between Cucurbit[7]uril and Cationic Surfactants (dataset). https://doi.org/10.34804/supra.2021092889 |
| Link: | https://doi.org/10.34804/supra.2021092889 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
M. Pessêgo, J. A. Moreira, L. Garcia-Rio, Chem. Eur. J. 2012, 18, 7931–7940. |
| Link: | https://doi.org/10.1002/chem.201103049 |
| Export: | BibTex | RIS | EndNote |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of Cetrimonium bromide (7.547169811320755e-06 M) and CB7 (0 — 1.509433962264151e-05 M).
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