Interaction Scheme
Molecule
DiMPCP
c = 0.0 — 88.0 µM
Host
CB8
c = 55.0 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 1.10⋅1015 | ± 1.56⋅1015 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -85.85 | ± NaN | -20.52 | ± NaN |
| ΔH | = | -71.0 | ± 2.1 | -16.97 | ± 0.5 |
| -TΔS | = | -14.6 | ± 3.4 | -3.49 | ± 0.81 |
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | 49.0 | ± 11.4 | 11.7 | ± 2.7 |
These are the specifications of the determination of the experimental results.
| Detection Method: | Direct | ||
| Assay Type: | Direct Binding Assay | ||
| Technique: | Isothermal Titration Calorimetry | ||
| Instrument: | MicroCal PEAQ-ITC | ||
| VCell | = | 200.0 𝜇L | |
| VSyringe | = | 40.0 𝜇L | |
| Molecule: | syringe | ||
| Partner: | cell | ||
Detailed information about the solvation.
| Solvent System | Single Solvent |
| Solvent | water |
Please find here information about the dataset this interaction is part of.
| Citation: |
L. Grimm, SupraBank 2024, Fluorescent Paracyclophanes: Unveiling Ultra-strong Binding with Cucurbit[8]uril in Aqueous Environments (dataset). https://doi.org/10.34804/supra.20240313527 |
| Link: | https://doi.org/10.34804/supra.20240313527 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
|
| Link: | https://suprabank.org/datasets/527 |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of DiMPCP (1.8248175182481752e-14 M) and CB8 (0 — 3.6496350364963503e-14 M).
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