Interaction Scheme
Molecule
I-
c = 0.0 — 222.0 µM
Host
2-hydroxyethylamide-BU
c = 101.0 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 1.30⋅107 | ± 1.00⋅106 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 30.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -41.29 | ± 0.19 | -9.87 | ± 0.05 |
| ΔH | = | -66.1 | ± 2.1 | -15.8 | ± 0.5 |
| -TΔS | = | 24.9 | 5.95 | ||
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | -82.1 | -19.6 | ||
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 | Single Solvent |
| Solvent | water |
Please find here information about the dataset this interaction is part of.
| Citation: |
V. Sindelar, E. Torti, V. Havel, M. A. Yawer, L. Ludvíková, M. Babiak, P. Klán, SupraBank 2024, Supramolecular Storage and Controlled Photorelease of an Oxidizing Agent using a Bambusuril Macrocycle (dataset). https://doi.org/10.34804/supra.2021092831 |
| Link: | https://doi.org/10.34804/supra.2021092831 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
E. Torti, V. Havel, M. A. Yawer, L. Ludvíková, M. Babiak, P. Klán, V. Sindelar, Chem. Eur. J. 2017, 23, 16768–16772. |
| Link: | https://doi.org/10.1002/chem.201704948 |
| Export: | BibTex | RIS | EndNote |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of I- (1.5384615384615385e-06 M) and 2-hydroxyethylamide-BU (0 — 3.076923076923077e-06 M).
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