Interaction Scheme
Molecule
[C5mim]Br
c ≈ 0.0 — 120.0 µM
Host
CB6
c = 50.0 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka < | 2.20⋅105 | ± 1.32⋅104 | M-1 |
| Kd < | |||
| logKa < | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | > | -30.5 | ± 0.15 | -7.29 | ± 0.04 |
| ΔH | = | -31.1 | -7.43 | ||
| -TΔS | = | 0.6 | 0.14 | ||
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | -2.0 | -0.5 | ||
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 | = | 600.0 𝜇M syringe | |
| cpartner | = | 50.0 𝜇M cell | |
Detailed information about the solvation.
| Solvent System | Buffer System | 10 mM phosphate pH-7 |
| Solvents | water | |
| Additives | Sodium dihydrog... | |
| Disodium hydrog... | ||
| Source of Concentration | ||
| Total concentration | 10.0 mM | |
| pH | 7.0 |
Please find here information about the dataset this interaction is part of.
| Citation: |
F. Biedermann, N. Zhao, L. Liu, O. Scherman, SupraBank 2024, Binding Studies on CB[6] with a Series of 1-Alkyl-3-methylimidazolium Ionic Liquids in an Aqueous System (dataset). https://doi.org/10.34804/supra.20220629454 |
| Link: | https://doi.org/10.34804/supra.20220629454 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
N. Zhao, L. Liu, F. Biedermann, O. A. Scherman, Chem. Asian J. 2010, 5, 530–537. |
| Link: | https://doi.org/10.1002/asia.200900510 |
| Export: | BibTex | RIS | EndNote |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of [C5mim]Br (9.070294784580499e-05 M) and CB6 (0 — 0.00018140589569160998 M).
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