𝜈 | Molecule 1 : 1 Host | ||
Ka = | 2770.0 | ± 160.0 | M-1 |
Kd = | |||
logKa = | |||
T | 25.0 °C | ||
Energy | kJ mol-1 | kcal mol-1 | |||
---|---|---|---|---|---|
ΔG | = | -19.65 | ± 0.14 | -4.7 | ± 0.03 |
ΔH | = | -21.0 | ± 1.0 | -5.02 | ± 0.24 |
-TΔS | = | 1.3 | ± 1.1 | 0.31 | ± 0.26 |
J mol-1 K-1 | cal mol-1 K-1 | ||||
ΔS | = | -4.4 | ± 3.7 | -1.0 | ± 0.9 |
Detection Method: | Direct | ||
Assay Type: | Direct Binding Assay | ||
Technique: | Isothermal Titration Calorimetry | ||
Instrument: | MicroCal VP-ITC | ||
VCell | = | 1400.0 𝜇L | |
VSyringe | = | 350.0 𝜇L | |
Molecule: | syringe | ||
Partner: | cell |
Solvent System | Complex Mixture | |
Solvents | water | 100.0 % |
water | ||
Additives | hydrochloric acid | |
pH | 6.0 |
Citation: |
D. Guo, Y. Liu, W. M. Nau, V. D. Uzunova, K. I. Assaf, A. I. Lazar, SupraBank 2024, Inclusion of neutral guests by water-soluble macrocyclic hosts – a comparative thermodynamic investigation with cyclodextrins, calixarenes and cucurbiturils (dataset). https://doi.org/10.34804/supra.2021092882 |
Link: | https://doi.org/10.34804/supra.2021092882 |
Export: | BibTex | RIS | EndNote |
Citation: |
D.-S. Guo, V. D. Uzunova, K. I. Assaf, A. I. Lazar, Y. Liu, W. M. Nau, Supramolecular Chemistry 2015, 28, 384–395. |
Link: | https://doi.org/10.1080/10610278.2015.1105374 |
Export: | BibTex | RIS | EndNote |
The plot depicts the binding isotherm simulation of a 1:1 interaction of 2,3-Diazabicyclo[2.2.1]-hept-2-ene (0.007220216606498195 M) and CB8 (0 — 0.01444043321299639 M).