Interaction Scheme
Molecule
MBBI
Host
CB8
c = 100.0 µM
Cofactor
PDI-Bis(Et-Me2N-Et-OH)
c = 100.0 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 2.60⋅105 | ± 2.00⋅104 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -30.91 | ± 0.19 | -7.39 | ± 0.05 |
| ΔH | = | -16.3 | ± 0.4 | -3.9 | ± 0.1 |
| -TΔS | = | -14.6 | ± 1.3 | -3.49 | ± 0.31 |
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | 49.0 | ± 4.4 | 11.7 | ± 1.0 |
These are the specifications of the determination of the experimental results.
| Detection Method: | Direct | ||
| Assay Type: | Associative Binding Assay | ||
| Technique: | Isothermal Titration Calorimetry | ||
| Molecule: | syringe | ||
| Partner: | cell | ||
| Cofactor: | cell | ||
Detailed information about the solvation.
| Solvent System | Single Solvent |
| Solvent | water |
| pH | 7.0 |
Please find here information about the dataset this interaction is part of.
| Citation: |
W. M. Nau, O. A. Scherman, F. Biedermann, E. Elmalem, I. Ghosh, SupraBank 2024, Strongly Fluorescent, Switchable Perylene Bis(diimide) Host-Guest Complexes with Cucurbit[8]uril In Water (dataset). https://doi.org/10.34804/supra.2021092847 |
| Link: | https://doi.org/10.34804/supra.2021092847 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
F. Biedermann, E. Elmalem, I. Ghosh, W. M. Nau, O. A. Scherman, Angew. Chem. Int. Ed. 2012, 51, 7739–7743. |
| Link: | https://doi.org/10.1002/anie.201202385 |
| Export: | BibTex | RIS | EndNote |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of MBBI (7.692307692307693e-05 M) and CB8 (0 — 0.00015384615384615385 M).
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