Interaction Scheme
Molecule
1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole
c = 0.0 — 971.0 µM
Host
CB7
c = 96.0 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 6.30⋅106 | M-1 | |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -38.81 | -9.28 | ||
| ΔH | = | -29.71 | ± 0.42 | -7.1 | ± 0.1 |
| -TΔS | = | -9.2 | ± 1.26 | -2.2 | ± 0.3 |
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | 30.9 | ± 4.2 | 7.4 | ± 1.0 |
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: | cell | ||
Detailed information about the solvation.
| Solvent System | Buffer System | 10 mM phosphate pH-7.0 |
| Solvents | water | |
| Source of Concentration | ||
| Total concentration | 10.0 mM | |
| pH | 7.0 |
Please find here information about the dataset this interaction is part of.
| Citation: |
G. Wu, O. Scherman, X. Lu, A. Palma, M. Artelsmair, S. J. Barrow, N. Uddin, E. Rosta, E. Masson, SupraBank 2024, Cucurbit[7]uril as a Supramolecular Artificial Enzyme for Diels-Alder Reactions (dataset). https://doi.org/10.34804/supra.20210928186 |
| Link: | https://doi.org/10.34804/supra.20210928186 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
A. Palma, M. Artelsmair, G. Wu, X. Lu, S. J. Barrow, N. Uddin, E. Rosta, E. Masson, O. A. Scherman, Angew. Chem. Int. Ed. 2017, 56, 15688–15692. |
| Link: | https://doi.org/10.1002/anie.201706487 |
| Export: | BibTex | RIS | EndNote |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of 1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole (3.1746031746031746e-06 M) and CB7 (0 — 6.349206349206349e-06 M).
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