Interaction

curated

Interaction Scheme

Molecule

Untitled
Choline

c = 0.0 — 12000.0 µM

Host

Cx4
Cx4

c = 1600.0 µM

Indicator

Untitled
2,3-Diazabicyclo(2.2.2)oct-2-ene

c = 1000.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 1.30⋅104 ± 1000.0 M-1
Kd =
logKa = 4.11 ± 0.03
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -23.48 ± 0.19 -5.61 ± 0.05
These are the specifications of the determination of the experimental results.
Detection Method: Competitive
Assay Type: Competitive Binding Assay
Technique: Fluorescence
𝛌ex = 365.0 nm
Detailed information about the solvation.
Solvent System Complex Mixture
Solvents Deuterium Oxide
Additives Deuterium chloride
pH 2.4
Please find here information about the dataset this interaction is part of.
Citation:

H. Bakirci, W. M. Nau, SupraBank 2024, Fluorescence Regeneration as a Signaling Principle for Choline and Carnitine Binding: A Refined Supramolecular Sensor System Based on a Fluorescent Azoalkane (dataset). https://doi.org/10.34804/supra.20210928371

Link: https://doi.org/10.34804/supra.20210928371
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

H. Bakirci, W. M. Nau, Adv. Funct. Mater. 2006, 16, 237–242.

Link: https://doi.org/10.1002/adfm.200500219
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Choline (0.0015384615384615385 M) and Cx4 (0 — 0.003076923076923077 M).