Interaction Scheme
Molecule
Acetate
Host
2-(3-cyano-5,5-diethyl-4-(prop-1-en-1-yl)furan-...
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 2.60⋅106 | M-1 | |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -36.62 | -8.75 |
These are the specifications of the determination of the experimental results.
| Detection Method: | Direct | |||
| Assay Type: | Direct Binding Assay | |||
| Technique: | Fluorescence | |||
| 𝛌ex | = | 352.0 nm | ||
Detailed information about the solvation.
| Solvent System | Single Solvent |
| Solvent | acetonitrile |
Please find here information about the dataset this interaction is part of.
| Citation: |
T. Minami, P. Anzenbacher, Y. Liu, R. Nishiyabu, Z. Wang, SupraBank 2024, Sensing of Carboxylate Drugs in Urine by a Supramolecular Sensor Array (dataset). https://doi.org/10.34804/supra.20221104464 |
| Link: | https://doi.org/10.34804/supra.20221104464 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
Y. Liu, T. Minami, R. Nishiyabu, Z. Wang, P. Anzenbacher Jr., J. Am. Chem. Soc. 2013, 135, 7705–7712. |
| Link: | https://doi.org/10.1021/ja4015748 |
| Export: | BibTex | RIS | EndNote | |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of Acetate (7.692307692307692e-06 M) and 2-(3-cyano-5,5-diethyl-4-(prop-1-en-1-yl)furan-2(5H)-ylidene)malononitrile (0 — 1.5384615384615384e-05 M).
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