Interaction Scheme
Molecule
Xe
c = 390.0 µM
Host
Cryptophane-A acid
c = 11.0 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 850.0 | ± 250.0 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 22.0 °C | ||
| kin= | 32300.0 | ± | M-1s-1 |
| kout= | 38.0 | ± 6.0 | s-1 |
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -16.55 | ± 0.75 | -3.96 | ± 0.18 |
These are the specifications of the determination of the experimental results.
| Detection Method: | Direct | ||
| Assay Type: | Direct Binding Assay | ||
| Technique: | Nuclear Magnetic Resonance | ||
| = | -132.06 ppm | ||
Detailed information about the solvation.
| Solvent System | Single Solvent |
| Solvent | water |
Please find here information about the dataset this interaction is part of.
| Citation: |
A. Hennig, M. Kunth, C. Witte, L. Schröder, SupraBank 2024, Identification, classification, and signal amplification capabilities of high-turnover gas binding hosts in ultra-sensitive NMR (dataset). https://doi.org/10.34804/supra.20210928157 |
| Link: | https://doi.org/10.34804/supra.20210928157 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
M. Kunth, C. Witte, A. Hennig, L. Schröder, Chem. Sci. 2015, 6, 6069–6075. |
| Link: | https://doi.org/10.1039/c5sc01400j |
| Export: | BibTex | RIS | EndNote | |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of Xe (0.023529411764705882 M) and Cryptophane-A acid (0 — 0.047058823529411764 M).
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