Interaction Scheme
Molecule
L-His
c ≈ 0.0 — 161.29 µM
Host
Inverted CB[7]
c = 100.0 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 6600.0 | ± 1300.0 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -21.8 | ± 0.49 | -5.21 | ± 0.12 |
| ΔH | = | -33.8 | ± 11.0 | -8.08 | ± 2.63 |
| -TΔS | = | 7.93 | 1.9 | ||
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | -26.6 | -6.4 | ||
These are the specifications of the determination of the experimental results.
| Detection Method: | Direct | ||
| Assay Type: | Direct Binding Assay | ||
| Technique: | Isothermal Titration Calorimetry | ||
| Instrument: | Nano ITC | ||
| VCell | = | 1300.0 𝜇L | |
| VSyringe | = | 250.0 𝜇L | |
| cmolecule | = | 1000.0 𝜇M syringe | |
| cpartner | = | 100.0 𝜇M cell | |
| Vinjection | = | 6.0 𝜇L | |
Detailed information about the solvation.
| Solvent System | Buffer System | 10 mM phosphate pH-7.0 |
| Solvents | water | |
| Source of Concentration | ||
| Total concentration | 10.0 mM | |
| pH | 7.0 |
Please find here information about the dataset this interaction is part of.
| Citation: |
Z. Gao, J. Kan, L. Chen, D. Bai, H. Wang, Z. Tao, X. Xiao, SupraBank 2024, Binding and Selectivity of Essential Amino Acid Guests to the Inverted Cucurbit[7]uril Host (dataset). https://doi.org/10.34804/supra.20210928153 |
| Link: | https://doi.org/10.34804/supra.20210928153 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
Z.-Z. Gao, J.-L. Kan, L.-X. Chen, D. Bai, H.-Y. Wang, Z. Tao, X. Xiao, ACS Omega 2017, 2, 5633–5640. |
| Link: | https://doi.org/10.1021/acsomega.7b00429 |
| Export: | BibTex | RIS | EndNote | |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of L-His (0.0030303030303030303 M) and Inverted CB[7] (0 — 0.006060606060606061 M).
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