𝜈 | Molecule 1 : 1 Host | ||
Ka = | 1.49⋅104 | ± 6740.0 | M-1 |
Kd = | |||
logKa = | |||
T | 15.0 °C | ||
Energy | kJ mol-1 | kcal mol-1 | |||
---|---|---|---|---|---|
ΔG | = | -23.02 | ± 1.17 | -5.5 | ± 0.28 |
ΔH | = | -28.0 | ± 2.1 | -6.69 | ± 0.5 |
-TΔS | = | 5.0 | ± 3.4 | 1.2 | ± 0.81 |
J mol-1 K-1 | cal mol-1 K-1 | ||||
ΔS | = | -17.4 | ± 11.8 | -4.1 | ± 2.8 |
Detection Method: | Direct | ||
Assay Type: | Direct Binding Assay | ||
Technique: | Isothermal Titration Calorimetry | ||
Instrument: | MicroCal PEAQ-ITC | ||
VCell | = | 200.0 𝜇L | |
VSyringe | = | 40.0 𝜇L | |
Molecule: | syringe | ||
Partner: | cell |
Solvent System | Single Solvent |
Solvent | water |
Citation: |
L. Grimm, SupraBank 2023, The Temperature-Dependence of Host-Guest Binding Thermodynamics: Experimental and Simulation Studies (dataset). https://doi.org/10.34804/supra.20220330425 |
Link: | https://doi.org/10.34804/supra.20220330425 |
Export: | BibTex | RIS | EndNote |
Citation: |
L. M. Grimm, J. Setiadi, B. Tkachenko, P. R. Schreiner, M. K. Gilson, F. Biedermann, Chem. Sci. 2023, DOI 10.1039/d3sc01975f. |
Link: | https://doi.org/10.1039/D3SC01975F |
Export: | BibTex | RIS | EndNote | |
The plot depicts the binding isotherm simulation of a 1:1 interaction of 1-(hydroxymethyl)-ferrocene (0.0013422818791946308 M) and β-CD (0 — 0.0026845637583892616 M).