Interaction

curated

Interaction Scheme

Molecule

Aniline
Aniline

c = 0.0 — 150.0 µM

Host

Cb8
CB8

c = 15.0 µM

Cofactor

Pdi bis%28et me2n et oh%29
PDI-Bis(Et-Me2N-Et-OH)

c = 15.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 5.00⋅104 M-1
Kd =
logKa = 4.7
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -26.82 -6.41
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Associative Binding Assay
Technique: Fluorescence
𝛌ex = 500.0 nm
𝛌em = 550.0 nm
Detailed information about the solvation.
Solvent System Single Solvent
Solvent water
pH 7.0
Please find here information about the dataset this interaction is part of.
Citation:

W. M. Nau, F. Biedermann, D. Hathazi, SupraBank 2024, Associative chemosensing by fluorescent macrocycle–dye complexes – a versatile enzyme assay platform beyond indicator displacement (dataset). https://doi.org/10.34804/supra.20210928360

Link: https://doi.org/10.34804/supra.20210928360
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

F. Biedermann, D. Hathazi, W. M. Nau, Chem. Commun. 2015, 51, 4977–4980.

Link: https://doi.org/10.1039/c4cc10227d
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Aniline (0.0004 M) and CB8 (0 — 0.0008 M).