Interaction Scheme
Molecule
1-Pentylammonium
Host
o-Xylyleneglycoluriltetramer
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 1300.0 | ± 100.0 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 40.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -18.67 | ± 0.2 | -4.46 | ± 0.05 |
These are the specifications of the determination of the experimental results.
| Detection Method: | Direct | ||
| Assay Type: | Direct Binding Assay | ||
| Technique: | Nuclear Magnetic Resonance | ||
| Nucleus | H-1 | ||
Detailed information about the solvation.
| Solvent System | Complex Mixture | |
| Solvents | Formic acid-d2 | 50.0 % |
| Deuterium Oxide | 50.0 % | |
Please find here information about the dataset this interaction is part of.
| Citation: |
V. Sindelar, M. Necas, L. Gilberg, L. Ustrnul, M. Stancl, SupraBank 2024, Synthesis and supramolecular properties of glycoluril tetramer (dataset). https://doi.org/10.34804/supra.20210928122 |
| Link: | https://doi.org/10.34804/supra.20210928122 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
M. Stancl, L. Gilberg, L. Ustrnul, M. Necas, V. Sindelar, Supramolecular Chemistry 2013, 26, 168–172. |
| Link: | https://doi.org/10.1080/10610278.2013.842643 |
| Export: | BibTex | RIS | EndNote |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of 1-Pentylammonium (0.015384615384615385 M) and o-Xylyleneglycoluriltetramer (0 — 0.03076923076923077 M).
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