Interaction Scheme
Molecule
1,6-Hexanediamine
Host
CB6
c = 130.0 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 1.78⋅106 | ± 1.64⋅105 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 30.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -36.27 | ± 0.23 | -8.67 | ± 0.05 |
| ΔH | = | -46.57 | ± 0.04 | -11.13 | ± 0.01 |
| -TΔS | = | 10.3 | ± 0.1 | 2.46 | ± 0.02 |
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | -34.0 | ± 0.3 | -8.1 | ± 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 | ||
| Instrument: | VP-ITC,MicroCal | ||
| VCell | = | 1400.0 𝜇L | |
| cmolecule | = | 1000.0 𝜇M syringe | |
| cpartner | = | 130.0 𝜇M cell | |
Detailed information about the solvation.
| Solvent System | Buffer System | 10 mM ammonium chloride pH-4.0 |
| Solvents | water | |
| Additives | AMMONIUM CHLORIDE | 10.0 mM |
| Source of Concentration | estimated | |
| Total concentration | 10.0 mM | |
| pH | 4.0 |
Please find here information about the dataset this interaction is part of.
| Citation: |
E. Keinan, O. Reany, M. K. Sinha, M. Yefet, M. Botoshansky, SupraBank 2024, Bistable Cucurbituril Rotaxanes Without Stoppers (dataset). https://doi.org/10.34804/supra.20240314528 |
| Link: | https://doi.org/10.34804/supra.20240314528 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
M. K. Sinha, O. Reany, M. Yefet, M. Botoshansky, E. Keinan, Chemistry A European J 2012, 18, 5589–5605. |
| Link: | https://doi.org/10.1002/chem.201103434 |
| Export: | BibTex | RIS | EndNote |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of 1,6-Hexanediamine (1.124859392575928e-05 M) and CB6 (0 — 2.249718785151856e-05 M).
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