Interaction Scheme
Molecule
((Dimethylamino)methyl)ferrocene
Host
CB7
Indicator
1,6-Hexanediamine
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 2.00⋅1012 | ± 1.00⋅1012 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -70.21 | ± 1.36 | -16.78 | ± 0.33 |
| ΔH | = | -88.0 | ± 3.0 | -21.03 | ± 0.72 |
| -TΔS | = | 18.0 | ± 3.0 | 4.3 | ± 0.72 |
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | -60.4 | ± 10.1 | -14.4 | ± 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 | |
| Molecule: | syringe | ||
| Partner: | cell | ||
| Indicator: | cell | ||
| 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 2024, 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 ((Dimethylamino)methyl)ferrocene (1.0e-11 M) and CB7 (0 — 2.0e-11 M).
