Interaction Scheme
Molecule
HBV4+
Host
bis-sCx4
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 1.15⋅106 | ± 1.00⋅104 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -34.59 | ± 0.02 | -8.27 | ± 0.0 |
| ΔH | = | -29.6 | ± 0.2 | -7.07 | ± 0.05 |
| -TΔS | = | -4.96 | ± 0.18 | -1.19 | ± 0.04 |
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | 16.6 | ± 0.6 | 4.0 | ± 0.1 |
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 | Single Solvent |
| Solvent | water |
| pH | 7.0 |
Please find here information about the dataset this interaction is part of.
| Citation: |
H. Qian, Y. Liu, D. Guo, SupraBank 2024, Cucurbituril‐Modulated Supramolecular Assemblies: From Cyclic Oligomers to Linear Polymers (dataset). https://doi.org/10.34804/supra.20210928194 |
| Link: | https://doi.org/10.34804/supra.20210928194 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
H. Qian, D. S. Guo, Y. Liu, Chem. Eur. J. 2012, 18, 5087–5095. |
| Link: | https://doi.org/10.1002/chem.201101904 |
| Export: | BibTex | RIS | EndNote |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of HBV4+ (1.7391304347826085e-05 M) and bis-sCx4 (0 — 3.478260869565217e-05 M).
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