Interaction Scheme
Molecule
1-(hydroxymethyl)-ferrocene
c = 0.0 — 250.0 µM
Host
CB7
c = 129.0 µM
Indicator
L-Phe
c = 4200.0 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 3.00⋅109 | ± 5.00⋅108 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -54.1 | ± 0.42 | -12.93 | ± 0.1 |
| ΔH | = | -88.0 | ± 3.0 | -21.03 | ± 0.72 |
| -TΔS | = | 34.0 | ± 3.0 | 8.13 | ± 0.72 |
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | -114.0 | ± 10.1 | -27.3 | ± 2.4 |
| Detection Method: | Competitive | ||
| Assay Type: | Competitive Binding Assay | ||
| Technique: | Isothermal Titration Calorimetry | ||
| Instrument: | MircoCal VP-ITC | ||
| VCell | = | 1400.0 𝜇L | |
| VSyringe | = | 350.0 𝜇L | |
| cmolecule | = | 1650.0 𝜇M syringe | |
| cpartner | = | 129.0 𝜇M cell | |
| cindicator | = | 4200.0 𝜇M cell | |
| Ninjection | = | 25 | |
| Vinjection | = | 10.0 𝜇L | |
| Solvent System | Single Solvent |
| Solvent | water |
| Citation: |
A. E. Kaifer, V. Sindelar, M. V. Rekharsky, Y. Inoue, K. Kim, Y. H. Ko, N. Selvapalam, W. S. Jeon, K. Moon, S. H. Park, H. Chun, J. Y. Lee, E. S. Lee, S. Samal, D. Sobransingh, SupraBank 2025, Complexation of Ferrocene Derivatives by the Cucurbit[7]uril Host: A Comparative Study of the Cucurbituril and Cyclodextrin Host Families (dataset). https://doi.org/10.34804/supra.20210928320 |
| Link: | https://doi.org/10.34804/supra.20210928320 |
| Export: | BibTex | RIS | EndNote |
| Citation: |
W. S. Jeon, K. Moon, S. H. Park, H. Chun, Y. H. Ko, J. Y. Lee, E. S. Lee, S. Samal, N. Selvapalam, M. V. Rekharsky, et al., J. Am. Chem. Soc. 2005, 127, 12984–12989. |
| Link: | https://doi.org/10.1021/ja052912c |
| Export: | BibTex | RIS | EndNote | |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of 1-(hydroxymethyl)-ferrocene (6.666666666666667e-09 M) and CB7 (0 — 1.3333333333333334e-08 M).
