𝜈 | Molecule 1 : 1 Host | ||
Ka = | 1.90⋅105 | ± 2.00⋅104 | M-1 |
Kd = | |||
logKa = | |||
T | 25.0 °C | ||
Energy | kJ mol-1 | kcal mol-1 | |||
---|---|---|---|---|---|
ΔG | = | -30.13 | ± 0.26 | -7.2 | ± 0.06 |
ΔH | = | -37.4 | -8.94 | ||
-TΔS | = | 7.3 | 1.74 | ||
J mol-1 K-1 | cal mol-1 K-1 | ||||
ΔS | = | -24.5 | -5.9 |
Detection Method: | Direct | ||
Assay Type: | Direct Binding Assay | ||
Technique: | Isothermal Titration Calorimetry | ||
Instrument: | Nano ITC LV | ||
VCell | = | 190.0 𝜇L | |
VSyringe | = | 50.0 𝜇L | |
cmolecule | = | 1000.0 𝜇M syringe | |
cpartner | = | 150.0 𝜇M cell | |
Ninjection | = | 25 | |
Vinjection | = | 1.96 𝜇L |
Solvent System | Complex Mixture |
Solvents | 1,2-dichloroethane |
acetonitrile | |
Citation: |
A. Valkonen, K. Rissanen, W. Jiang, L. Yang, F. Pan, S. Lu, SupraBank 2024, A conformationally adaptive macrocycle: conformational complexity and host–guest chemistry of zorb[4]arene (dataset). https://doi.org/10.34804/supra.20230110468 |
Link: | https://doi.org/10.34804/supra.20230110468 |
Export: | BibTex | RIS | EndNote |
Citation: |
L.-P. Yang, S.-B. Lu, A. Valkonen, F. Pan, K. Rissanen, W. Jiang, Beilstein J. Org. Chem. 2018, 14, 1570–1577. |
Link: | https://doi.org/10.3762/bjoc.14.134 |
Export: | BibTex | RIS | EndNote |
The plot depicts the binding isotherm simulation of a 1:1 interaction of N,N-dimethyl-N-(4-(trifluoromethyl)benzyl)-1-(4-(trifluoromethyl)phenyl)methanaminium (0.00010526315789473685 M) and Zorb[4]arene (0 — 0.0002105263157894737 M).