Interaction Scheme
Molecule
1,2-Dinitrobenzene
c = 0.0 — 250000.0 µM
Host
syn-Urea Naphthotube
c = 500.0 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 51.4 | ± 1.2 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -9.77 | ± 0.06 | -2.34 | ± 0.01 |
These are the specifications of the determination of the experimental results.
| Detection Method: | Direct | ||
| Assay Type: | Direct Binding Assay | ||
| Technique: | Nuclear Magnetic Resonance | ||
| Nucleus | 2H | ||
| = | 0.6 ppm | ||
Detailed information about the solvation.
| Solvent System | Single Solvent |
| Solvent | Chloroform-D |
Please find here information about the dataset this interaction is part of.
| Citation: |
G. Huang, K. Rissanen, W. Jiang, Z. He, C. Cai, F. Pan, D. Yang, SupraBank 2025, Bis-urea macrocycles with a deep cavity (dataset). https://doi.org/10.34804/supra.20210928385 |
| Link: | https://doi.org/10.34804/supra.20210928385 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
G. Huang, Z. He, C.-X. Cai, F. Pan, D. Yang, K. Rissanen, W. Jiang, Chem. Commun. 2015, 51, 15490–15493. |
| Link: | https://doi.org/10.1039/c5cc06768e |
| Export: | BibTex | RIS | EndNote | |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of 1,2-Dinitrobenzene (0.38910505836575876 M) and syn-Urea Naphthotube (0 — 0.7782101167315175 M).
Please sign in: customize the simulation by signing in to the SupraBank.
