Interaction Scheme
Molecule
p-Xylylendiamine 2+
Host
Inverted CB[7]
c = 200.0 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 9.00⋅106 | ± 1.00⋅106 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 30.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -40.36 | ± 0.28 | -9.65 | ± 0.07 |
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 VP-ITC | ||
| cmolecule | = | 5000.0 𝜇M syringe | |
| cpartner | = | 200.0 𝜇M cell | |
| Ninjection | = | 50 | |
| Vinjection | = | 4.0 𝜇L | |
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. Isaacs, P. Y. Zavalij, K. Kim, Y. H. Ko, N. Selvapalam, Y. Kim, H. Kim, S. Liu, S. Park, G. Kim, H. Lee, SupraBank 2024, The Inverted Cucurbit[n]uril Family (dataset). https://doi.org/10.34804/supra.20231010495 |
| Link: | https://doi.org/10.34804/supra.20231010495 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
L. Isaacs, S.-K. Park, S. Liu, Y. H. Ko, N. Selvapalam, Y. Kim, H. Kim, P. Y. Zavalij, G.-H. Kim, H.-S. Lee, et al., J. Am. Chem. Soc. 2005, 127, 18000–18001. |
| Link: | https://doi.org/10.1021/ja056988k |
| Export: | BibTex | RIS | EndNote | |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of p-Xylylendiamine 2+ (2.222222222222222e-06 M) and Inverted CB[7] (0 — 4.444444444444444e-06 M).
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