Interaction Scheme

Molecule

4 methylbenzylamine
4-Methylbenzylamine

c = 8.23 µM

Host

Cb6
CB6

c = 1.05 µM

Indicator

Dsmi
DSMI

c = 2.08 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 5.13⋅107 M-1
Kd =
logKa = 7.71
T 25.0 °C 298 K
kin= 33300.0 ± 300.0 M-1s-1
kout= 0.000649122807017544 ± 5.0e-06 s-1
Energy kJ mol-1 kcal mol-1
ΔG = -44.01 -10.52
Comment
kinetic indicator displacement assay
These are the specifications of the determination of the experimental results.
Detection Method: Competitive
Assay Type: Competitive Binding Assay
Technique: Fluorescence
𝛌ex = 519.0 nm
𝛌em = 575.0 nm
Detailed information about the solvation.
Solvent System Complex Mixture
Solvents water
Additives hydrochloric acid 0.00823 mM
Total concentration 0.00823 mM
pH 7.0
Please find here information about the dataset this interaction is part of.
Citation:

Z. Miskolczy, L. Biczok, L. M. Grimm, F. Biedermann, M. Megyesi, S. Sinn, S. Braese, A. Prabodh, SupraBank 2024, Teaching indicators to unravel the kinetic features of host–guest inclusion complexes (dataset). https://doi.org/10.34804/supra.20220717459

Link: https://doi.org/10.34804/supra.20220717459
Export: BibTex | RIS | EndNote
Please find here information about the scholarly article describing the results derived from that data.
Citation:

A. Prabodh, S. Sinn, L. Grimm, Z. Miskolczy, M. Megyesi, L. Biczók, S. Bräse, F. Biedermann, Chem. Commun. 2020, 56, 12327–12330.

Link: https://doi.org/10.1039/D0CC03715J
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Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of 4-Methylbenzylamine (3.898635477582846e-07 M) and CB6 (0 — 7.797270955165692e-07 M).