Interaction Scheme

Molecule

Neutral red protonated
Neutral Red protonated

c = 100.0 µM

Host

Scx4
sCx4

c = 0.0 — 28.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 1778.0 ± 81.9 M-1
Kd =
logKa = 3.25 ± 0.02
T 45.0 °C 318 K
Energy kJ mol-1 kcal mol-1
ΔG = -19.8 ± 0.12 -4.73 ± 0.03
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Fluorescence
𝛌ex = 520.0 nm
𝛌em = 620.0 nm
IboundIfree = 2.0
Detailed information about the solvation.
Solvent System Buffer System 200 mM acetate pH-4.5
Solvents water
Additives acetic acid
Sodium acetate
Source of Concentration
Total concentration 200.0 mM
pH 4.5
Please find here information about the dataset this interaction is part of.
Citation:

M. Chen, G. W. Diao, SupraBank 2024, Intermolecular Complexation Between p-Sulfonated Calix[4,6,8]arene Sodium and Neutral Red (dataset). https://doi.org/10.34804/supra.20210928119

Link: https://doi.org/10.34804/supra.20210928119
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

M. Chen, G. W. Diao, J Solution Chem 2011, 40, 481–491.

Link: https://doi.org/10.1007/s10953-011-9660-z
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Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of Neutral Red protonated (0.01124859392575928 M) and sCx4 (0 — 0.02249718785151856 M).