Interaction Scheme
Molecule
2-Methyl-3-phenyloxirane
Host
anti-Amide Naphthotube
c = 100.0 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 1.50⋅105 | ± 1.00⋅104 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -29.55 | ± 0.17 | -7.06 | ± 0.04 |
| ΔH | = | -26.3 | -6.29 | ||
| -TΔS | = | -3.2 | -0.76 | ||
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | 10.7 | 2.6 | ||
These are the specifications of the determination of the experimental results.
| Detection Method: | Direct | ||
| Assay Type: | Direct Binding Assay | ||
| Technique: | Isothermal Titration Calorimetry | ||
| 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: |
W. Jiang, Z. Chen, M. Quan, L. Wang, T. Yang, SupraBank 2024, A Green and Wide‐Scope Approach for Chiroptical Sensing of Organic Molecules through Biomimetic Recognition in Water (dataset). https://doi.org/10.34804/supra.20240523557 |
| Link: | https://doi.org/10.34804/supra.20240523557 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
L. L. Wang, M. Quan, T. L. Yang, Z. Chen, W. Jiang, Angew Chem Int Ed 2020, 59, 23817–23824. |
| Link: | https://doi.org/10.1002/anie.202011566 |
| Export: | BibTex | RIS | EndNote |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of 2-Methyl-3-phenyloxirane (0.00013333333333333334 M) and anti-Amide Naphthotube (0 — 0.0002666666666666667 M).
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