Interaction Scheme
Molecule
2,2,6-Trimethylcyclohexanone
c ≈ 0.0 — 81.4 µM
Host
CB7
c = 38.8 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 9.30⋅106 | M-1 | |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -39.78 | -9.51 | ||
| ΔH | = | -48.8 | -11.66 | ||
| -TΔS | = | 9.0 | 2.15 | ||
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | -30.2 | -7.2 | ||
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 | = | 407.0 𝜇M syringe | |
| cpartner | = | 38.8 𝜇M cell | |
Detailed information about the solvation.
| Solvent System | Single Solvent |
| Solvent | water |
| pH | 7.0 |
Please find here information about the dataset this interaction is part of.
| Citation: |
Z. Miskolczy, L. Biczok, F. Biedermann, M. Megyesi, S. Sinn, SupraBank 2024, Simultaneous analyte indicator binding assay (SBA) for the monitoring of reversible host–guest complexation kinetics (dataset). https://doi.org/10.34804/supra.20220717460 |
| Link: | https://doi.org/10.34804/supra.20220717460 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
Z. Miskolczy, M. Megyesi, S. Sinn, F. Biedermann, L. Biczók, Chem. Commun. 2021, 57, 12663–12666. |
| Link: | https://doi.org/10.1039/D1CC04888K |
| Export: | BibTex | RIS | EndNote | |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of 2,2,6-Trimethylcyclohexanone (2.1505376344086023e-06 M) and CB7 (0 — 4.3010752688172045e-06 M).
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