Interaction Scheme
Molecule
1-(hydroxymethyl)-ferrocene
c = 0.0 — 60.0 µM
Host
CB8
c = 26.0 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 3.63⋅106 | M-1 | |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -37.44 | -8.95 | ||
| ΔH | = | -55.1 | ± 0.42 | -13.17 | ± 0.1 |
| -TΔS | = | 17.5 | 4.18 | ||
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | -58.7 | -14.0 | ||
- Comment
- desalted CB8
These are the specifications of the determination of the experimental results.
| Detection Method: | Direct | ||
| Assay Type: | Direct Binding Assay | ||
| Technique: | Isothermal Titration Calorimetry | ||
| Instrument: | MicroCal PEAQ-ITC | ||
| VCell | = | 200.0 𝜇L | |
| VSyringe | = | 40.0 𝜇L | |
| Molecule: | syringe | ||
| cpartner | = | 26.0 𝜇M cell | |
Detailed information about the solvation.
| Solvent System | Single Solvent |
| Solvent | water |
| pH | 7.0 |
Please find here information about the dataset this interaction is part of.
| Citation: |
Z. Miskolczy, L. Biczok, L. M. Grimm, F. Biedermann, M. Megyesi, S. Sinn, S. Braese, A. Prabodh, SupraBank 2024, Teaching indicators to unravel the kinetic features of host–guest inclusion complexes (dataset). https://doi.org/10.34804/supra.20220717459 |
| Link: | https://doi.org/10.34804/supra.20220717459 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
A. Prabodh, S. Sinn, L. Grimm, Z. Miskolczy, M. Megyesi, L. Biczók, S. Bräse, F. Biedermann, Chem. Commun. 2020, 56, 12327–12330. |
| Link: | https://doi.org/10.1039/D0CC03715J |
| Export: | BibTex | RIS | EndNote | |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of 1-(hydroxymethyl)-ferrocene (5.50812448361333e-06 M) and CB8 (0 — 1.101624896722666e-05 M).
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