Interaction

curated

Interaction Scheme

Molecule

Untitled
2-aminoethanol hydrochloride

c = 1000.0 µM

Host

Molecule2 witt phosphonate calixarenes
MeO-pCx4-OPr

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka < 10.0 M-1
Kd <
logKa < 1.0
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG > -5.71 -1.36
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Nuclear Magnetic Resonance
Nucleus 1H
Detailed information about the solvation.
Solvent System Buffer System 200 mM deuterated phosphate pD-7.3
Solvents Deuterium Oxide 100.0 %
Source of Concentration
Total concentration 200.0 mM
pH 7.3
Please find here information about the dataset this interaction is part of.
Citation:

D. Witt, J. Dziemidowicz, J. Rachon, SupraBank 2024, Calix[4]arene phosphonates - recognition of amino alcohols in water (dataset). https://doi.org/10.34804/supra.20210928215

Link: https://doi.org/10.34804/supra.20210928215
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

D. Witt, J. Dziemidowicz, J. Rachon, Heteroatom Chem. 2004, 15, 155–161.

Link: https://doi.org/10.1002/hc.10229
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of 2-aminoethanol hydrochloride (2.0 M) and MeO-pCx4-OPr (0 — 4.0 M).