Interaction Scheme

Molecule

1 2 dihydroxybenzene
Pyrocatechol

c = 0.0 — 33200.0 µM

Host

5  4 %282 dihydroxyboryl benzyl n methylamino%29 butyroylamino  m xylylene bisphosphonic acid dimethyl ester dilithium salt
5-[4-(2-dihydroxyboryl-benzyl-N-methylamino)-bu...

c = 1309.0 µM

Indicator

Alizarin complexone
Alizarin complexone

c = 1030.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 159.0 ± 1.0 M-1
Kd =
logKa = 2.2 ± 0.0
T 20.0 °C 293 K
Energy kJ mol-1 kcal mol-1
ΔG = -12.35 ± 0.02 -2.95 ± 0.0
These are the specifications of the determination of the experimental results.
Detection Method: Competitive
Assay Type: Competitive Binding Assay
Technique: Absorbance
𝛌abs = 460.0 nm
Detailed information about the solvation.
Solvent System Buffer System 150 mM phosphate pH-7.0
Solvents water 100.0 %
Additives Disodium hydrog... 86.7 mM
Sodium dihydrog... 63.3 mM
Source of Concentration
Total concentration 150.0 mM
pH 7.0
Please find here information about the dataset this interaction is part of.
Citation:

T. Schrader, M. Maue, SupraBank 2024, A Color Sensor for Catecholamines (dataset). https://doi.org/10.34804/supra.20210928137

Link: https://doi.org/10.34804/supra.20210928137
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

M. Maue, T. Schrader, Angew. Chem. Int. Ed. 2005, 44, 2265–2270.

Link: https://doi.org/10.1002/anie.200462702
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Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of Pyrocatechol (0.12578616352201258 M) and 5-[4-(2-dihydroxyboryl-benzyl-N-methylamino)-butyroylamino]-m-xylylene bisphosphonic acid dimethyl ester dilithium salt (0 — 0.25157232704402516 M).