Interaction Scheme
Molecule
Geranylamine
c = 100.0 µM
Host
CB7
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 3.20⋅106 | M-1 | |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -37.13 | -8.87 | ||
| ΔH | = | -39.7 | -9.49 | ||
| -TΔS | = | 2.5 | 0.6 | ||
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | -8.4 | -2.0 | ||
These are the specifications of the determination of the experimental results.
| Detection Method: | Direct | ||
| Assay Type: | Direct Binding Assay | ||
| Technique: | Isothermal Titration Calorimetry | ||
| Instrument: | Nano ITC | ||
| VCell | = | 1000.0 𝜇L | |
| VSyringe | = | 250.0 𝜇L | |
| Molecule: | syringe | ||
| Partner: | cell | ||
| Ninjection | = | 50 | |
| Vinit | = | 5.0 𝜇L | |
Detailed information about the solvation.
| Solvent System | Complex Mixture |
| Solvents | water |
| Additives | hydrochloric acid |
| pH | 5.5 |
Please find here information about the dataset this interaction is part of.
| Citation: |
M. A. Romero, J. A. González-Delgado, J. F. Arteaga, N. Basílio, U. Pischel, A. J. Moro, M. Domingues, SupraBank 2024, Photocaged Competitor Guests: A General Approach Toward Light-Activated Cargo Release From Cucurbiturils (dataset). https://doi.org/10.34804/supra.20210928128 |
| Link: | https://doi.org/10.34804/supra.20210928128 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
M. A. Romero, N. Basílio, A. J. Moro, M. Domingues, J. A. González-Delgado, J. F. Arteaga, U. Pischel, Chem. Eur. J. 2017, 23, 13105–13111. |
| Link: | https://doi.org/10.1002/chem.201702185 |
| Export: | BibTex | RIS | EndNote |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of Geranylamine (6.25e-06 M) and CB7 (0 — 1.25e-05 M).
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