Interaction Scheme

Molecule

Untitled
Decyltrimethylammonium bromide

Host

Cb7
CB7

c = 12.0 µM

Indicator

Dsmi
DSMI

c = 11.7 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 4.00⋅106 ± 5.00⋅105 M-1
Kd =
logKa = 6.6 ± 0.05
T 25.0 °C 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -37.68 ± 0.31 -9.01 ± 0.07
These are the specifications of the determination of the experimental results.
Detection Method: Competitive
Assay Type: Competitive Binding Assay
Technique: Absorbance
𝛌abs = 444.0 nm
Detailed information about the solvation.
Solvent System Single Solvent
Solvent water
Please find here information about the dataset this interaction is part of.
Citation:

M. Pessêgo, J. A. Moreira, L. Garcia-Rio, SupraBank 2022, Evidence of Higher Complexes Between Cucurbit[7]uril and Cationic Surfactants (dataset). https://doi.org/10.34804/supra.2021092889

Link: https://doi.org/10.34804/supra.2021092889
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

M. Pessêgo, J. A. Moreira, L. Garcia-Rio, Chem. Eur. J. 2012, 18, 7931–7940.

Link: https://doi.org/10.1002/chem.201103049
Export: BibTex | RIS | EndNote

Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of Decyltrimethylammonium bromide (5.0e-06 M) and CB7 (0 — 1.0e-05 M).