𝜈 | Molecule 1 : 1 Host | ||
Ka = | 1.00⋅105 | ± 2.00⋅104 | M-1 |
Kd = | |||
logKa = | |||
T | 25.0 °C | ||
Energy | kJ mol-1 | kcal mol-1 | |||
---|---|---|---|---|---|
ΔG | = | -28.54 | ± 0.5 | -6.82 | ± 0.12 |
ΔH | = | -53.1 | ± 1.5 | -12.69 | ± 0.36 |
-TΔS | = | 24.7 | ± 2.0 | 5.9 | ± 0.48 |
J mol-1 K-1 | cal mol-1 K-1 | ||||
ΔS | = | -82.8 | ± 6.7 | -19.8 | ± 1.6 |
Detection Method: | Direct | ||
Assay Type: | Associative Binding Assay | ||
Technique: | Isothermal Titration Calorimetry | ||
Instrument: | MicroCal VP-ITC | ||
VCell | = | 1400.0 𝜇L | |
VSyringe | = | 350.0 𝜇L | |
cmolecule | = | 1200.0 𝜇M syringe | |
cpartner | = | 100.0 𝜇M cell | |
ccofactor | = | 100.0 𝜇M cell | |
Ninjection | = | 30 | |
Vinjection | = | 10.0 𝜇L | |
Vinit | = | 2.0 𝜇L |
Solvent System | Single Solvent |
Solvent | water |
pH | 7.0 |
Citation: |
O. Scherman, F. Biedermann, J. del Barrio, E. Appel, D. Hoogland, M. D. Driscoll, S. Hay, D. J. Wales, SupraBank 2024, Decoupled Associative and Dissociative Processes in Strong yet Highly Dynamic Host–Guest Complexes (dataset). https://doi.org/10.34804/supra.20220701456 |
Link: | https://doi.org/10.34804/supra.20220701456 |
Export: | BibTex | RIS | EndNote |
Citation: |
E. A. Appel, F. Biedermann, D. Hoogland, J. del Barrio, M. D. Driscoll, S. Hay, D. J. Wales, O. A. Scherman, J. Am. Chem. Soc. 2017, 139, 12985–12993. |
Link: | https://doi.org/10.1021/jacs.7b04821 |
Export: | BibTex | RIS | EndNote | |
The plot depicts the binding isotherm simulation of a 1:1 interaction of DBF-5kPEGOMe (0.0002 M) and CB8 (0 — 0.0004 M).