Interaction Scheme

Molecule

Untitled
1-Butanol

c = 0.0 — 654.0 µM

Host

Cb7
CB7

c = 21.0 µM

Indicator

2 6 tns
2,6-TNS

c = 79.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 4.90⋅104 ± 2256.31 M-1
Kd =
logKa = 4.69 ± 0.02
T 25.0 °C 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -26.77 ± 0.11 -6.4 ± 0.03
These are the specifications of the determination of the experimental results.
Detection Method: Competitive
Assay Type: Competitive Binding Assay
Technique: Fluorescence
𝛌ex = 405.0 nm
𝛌em = 550.0 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:

F. Biedermann, S. Sinn, J. Krämer, SupraBank 2022, Teaching old indicators even more tricks: binding affinity measurements with the guest-displacement assay (GDA) (dataset). https://doi.org/10.34804/supra.20210928361

Link: https://doi.org/10.34804/supra.20210928361
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

S. Sinn, J. Krämer, F. Biedermann, Chem. Commun. 2020, 56, 6620–6623.

Link: https://doi.org/10.1039/D0CC01841D
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Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of 1-Butanol (0.000408347605082131 M) and CB7 (0 — 0.000816695210164262 M).