Interaction Scheme
Molecule
L-Leu-L-Val
Host
CB6
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 616.6 | ± 14.2 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -15.93 | ± 0.06 | -3.81 | ± 0.01 |
| ΔH | = | -2.1 | ± 0.3 | -0.5 | ± 0.07 |
| -TΔS | = | -13.7 | ± 0.2 | -3.27 | ± 0.05 |
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | 46.0 | ± 0.7 | 11.0 | ± 0.2 |
These are the specifications of the determination of the experimental results.
| Detection Method: | Direct | ||
| Assay Type: | Direct Binding Assay | ||
| Technique: | Isothermal Titration Calorimetry | ||
| Molecule: | syringe | ||
| Partner: | syringe | ||
Detailed information about the solvation.
| Solvent System | Complex Mixture | |
| Solvents | water | 50.0 % |
| Formic acid | 50.0 % | |
Please find here information about the dataset this interaction is part of.
| Citation: |
A. D. Stancu, H. Buschmann, L. Mutihac, SupraBank 2024, Survey on thermodynamic properties for the complexation behaviour of some calixarene and cucurbituril receptors (dataset). https://doi.org/10.34804/supra.20210928271 |
| Link: | https://doi.org/10.34804/supra.20210928271 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
A. D. Stancu, H.-J. Buschmann, L. Mutihac, J Incl Phenom Macrocycl Chem 2012, 75, 1–10. |
| Link: | https://doi.org/10.1007/s10847-012-0137-5 |
| Export: | BibTex | RIS | EndNote | |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of L-Leu-L-Val (0.03243593902043464 M) and CB6 (0 — 0.06487187804086927 M).
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