Interaction Scheme
Molecule
Vecuronium
c = 1000.0 µM
Host
CB7
c = 0.0 µM
Indicator
Tetramethylammonium
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 2.20⋅105 | ± 3.00⋅104 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -30.49 | ± 0.34 | -7.29 | ± 0.08 |
These are the specifications of the determination of the experimental results.
| Detection Method: | Competitive | ||
| Assay Type: | Competitive Binding Assay | ||
| Technique: | Nuclear Magnetic Resonance | ||
| = | 0.3 ppm | ||
Detailed information about the solvation.
| Solvent System | Buffer System | 50 mM deuterated acetate pD-4.7 |
| Solvents | Deuterium Oxide | 100.0 % |
| Additives | Na-2,2,2-trideu... | 50.0 mM |
| Source of Concentration | estimated | |
| Total concentration | 50.0 mM | |
| pH | 4.3 |
Please find here information about the dataset this interaction is part of.
| Citation: |
D. H. Macartney, M. A. Gamal-Eldin, SupraBank 2024, Cucurbit[7]uril host−guest complexations of steroidal neuromuscular blocking agents in aqueous solution (dataset). https://doi.org/10.34804/supra.20210928130 |
| Link: | https://doi.org/10.34804/supra.20210928130 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
M. A. Gamal-Eldin, D. H. Macartney, Can. J. Chem. 2014, 92, 243–249. |
| Link: | https://doi.org/10.1139/cjc-2013-0490 |
| Export: | BibTex | RIS | EndNote |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of Vecuronium (9.09090909090909e-05 M) and CB7 (0 — 0.0001818181818181818 M).
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