Interaction Scheme
Molecule
L-Phe
c = 0.0 — 260.0 µM
Host
CB7
c = 163.0 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 1.78⋅106 | ± 7.00⋅104 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -35.68 | ± 0.1 | -8.53 | ± 0.02 |
| ΔH | = | -43.43 | ± 0.1 | -10.38 | ± 0.02 |
| -TΔS | = | 7.75 | 1.85 | ||
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | -26.0 | -6.2 | ||
| Detection Method: | Direct | ||
| Assay Type: | Direct Binding Assay | ||
| Technique: | Isothermal Titration Calorimetry | ||
| Instrument: | MircoCal VP-ITC | ||
| VCell | = | 1400.0 𝜇L | |
| VSyringe | = | 350.0 𝜇L | |
| cmolecule | = | 2500.0 𝜇M syringe | |
| cpartner | = | 163.0 𝜇M cell | |
| Ninjection | = | 17 | |
| 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 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 L-Phe (1.1235955056179776e-05 M) and CB7 (0 — 2.2471910112359552e-05 M).
