Interaction Scheme

Molecule

Untitled
Dodecyltrimethylammonium bromide

Host

Cb7
CB7

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 2.00⋅106 ± 3.00⋅105 M-1
Kd =
logKa = 6.3 ± 0.07
T 25.0 °C 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -35.97 ± 0.37 -8.6 ± 0.09
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
Molecule: syringe
Partner: cell
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 2024, 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
Export: BibTex | RIS | EndNote
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 Dodecyltrimethylammonium bromide (1.0e-05 M) and CB7 (0 — 2.0e-05 M).