Interaction Scheme

Molecule

C7mimbr
[C7mim]Br

c ≈ 0.0 — 120.0 µM

Host

Cb6
CB6

c = 50.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka < 1.00⋅104 M-1
Kd <
logKa < 4.0
T 25.0 °C 298 K
Energy kJ mol-1 kcal mol-1
ΔG > -22.83 -5.46
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Isothermal Titration Calorimetry
Instrument: MicroCal VP-ITC
VCell = 1400.0 𝜇L
VSyringe = 350.0 𝜇L
cmolecule = 600.0 𝜇M    syringe
cpartner = 50.0 𝜇M    cell
Detailed information about the solvation.
Solvent System Buffer System 10 mM phosphate pH-7
Solvents water
Additives Sodium dihydrog...
Disodium hydrog...
Source of Concentration
Total concentration 10.0 mM
pH 7.0
Please find here information about the dataset this interaction is part of.
Citation:

F. Biedermann, N. Zhao, L. Liu, O. Scherman, SupraBank 2024, Binding Studies on CB[6] with a Series of 1-Alkyl-3-methylimidazolium Ionic Liquids in an Aqueous System (dataset). https://doi.org/10.34804/supra.20220629454

Link: https://doi.org/10.34804/supra.20220629454
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

N. Zhao, L. Liu, F. Biedermann, O. A. Scherman, Chem. Asian J. 2010, 5, 530–537.

Link: https://doi.org/10.1002/asia.200900510
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Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of [C7mim]Br (0.002 M) and CB6 (0 — 0.004 M).