Interaction Scheme

Molecule

Tetradecyltrimethylammonium bromide
Tetradecyltrimethylammonium bromide

Host

Cb7
CB7

c = 12.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 4.30⋅106 ± 2.00⋅105 M-1
Kd =
logKa = 6.63 ± 0.02
T 25.0 °C 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -37.86 ± 0.12 -9.05 ± 0.03
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 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 Tetradecyltrimethylammonium bromide (4.651162790697674e-06 M) and CB7 (0 — 9.302325581395349e-06 M).