Interaction Scheme
Molecule
I-
c = 0.0 — 888.0 µM
Host
Dodeca(3-methoxycarbonylpropyl)bambus[6]uril
c = 494.0 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 2.00⋅105 | ± 0.1 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 30.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -30.77 | ± 0.0 | -7.35 | ± 0.0 |
| ΔH | = | -35.7 | ± 0.7 | -8.53 | ± 0.17 |
| -TΔS | = | 5.0 | 1.2 | ||
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | -16.5 | -3.9 | ||
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: | syringe | ||
Detailed information about the solvation.
| Solvent System | Complex Mixture | |
| Solvents | acetonitrile | 50.0 % |
| water | 50.0 % | |
Please find here information about the dataset this interaction is part of.
| Citation: |
V. Havel, V. Sindelar, M. Babiak, SupraBank 2024, Modulation of Bambusuril Anion Affinity in Water (dataset). https://doi.org/10.34804/supra.20210928363 |
| Link: | https://doi.org/10.34804/supra.20210928363 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
V. Havel, M. Babiak, V. Sindelar, Chem. Eur. J. 2017, 23, 8963–8968. |
| Link: | https://doi.org/10.1002/chem.201701316 |
| Export: | BibTex | RIS | EndNote |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of I- (0.0001 M) and Dodeca(3-methoxycarbonylpropyl)bambus[6]uril (0 — 0.0002 M).
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