Interaction Scheme
Molecule
NO3-
Host
Bn12BU
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 1.01⋅106 | ± 1.22⋅104 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 30.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -34.85 | ± 0.03 | -8.33 | ± 0.01 |
| ΔH | = | -31.82 | ± 0.02 | -7.61 | ± 0.0 |
| -TΔS | = | -3.02 | -0.72 | ||
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | 10.0 | 2.4 | ||
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 | Complex Mixture | |
| Solvents | dimethyl sulfoxide | 95.0 % |
| water | 5.0 % | |
Please find here information about the dataset this interaction is part of.
| Citation: |
V. Havel, V. Sindelar, M. A. Yawer, SupraBank 2025, Real-time analysis of multiple anion mixtures in aqueous media using a single receptor (dataset). https://doi.org/10.34804/supra.202109286 |
| Link: | https://doi.org/10.34804/supra.202109286 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
V. Havel, M. A. Yawer, V. Sindelar, Chem. Commun. 2015, 51, 4666–4669. |
| Link: | https://doi.org/10.1039/c4cc10108a |
| Export: | BibTex | RIS | EndNote | |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of NO3- (1.9801980198019803e-05 M) and Bn12BU (0 — 3.9603960396039605e-05 M).
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