Interaction Scheme
Molecule
3-carboxy-1-methylpyridin-1-ium
c = 0.0 — 400.0 µM
Host
Corral[5]arene
c = 2.0 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 4390.0 | ± 110.0 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -20.79 | ± 0.06 | -4.97 | ± 0.01 |
These are the specifications of the determination of the experimental results.
| Detection Method: | Direct | |||
| Assay Type: | Direct Binding Assay | |||
| Technique: | Fluorescence | |||
| 𝛌ex | = | 310.0 nm | ||
| 𝛌em | = | 393.0 nm | ||
Detailed information about the solvation.
| Solvent System | Single Solvent |
| Solvent | Methylene dichloride |
Please find here information about the dataset this interaction is part of.
| Citation: |
D. Guo, K. Cai, F. Stoddart, H. Han, R. Fu, R. Wang, C. Tang, M. He, J. Deng, SupraBank 2024, Corralarenes: A Family of Conjugated Tubular Hosts (dataset). https://doi.org/10.34804/supra.20221128465 |
| Link: | https://doi.org/10.34804/supra.20221128465 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
H. Han, R. Fu, R. Wang, C. Tang, M.-M. He, J.-Y. Deng, D.-S. Guo, J. F. Stoddart, K. Cai, J. Am. Chem. Soc. 2022, 144, 20351–20362. |
| Link: | https://doi.org/10.1021/jacs.2c08144 |
| Export: | BibTex | RIS | EndNote | |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of 3-carboxy-1-methylpyridin-1-ium (0.004555808656036446 M) and Corral[5]arene (0 — 0.009111617312072893 M).
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