Interaction Scheme

Molecule

Neutral red hydrochloride
Neutral red hydrochloride

c = 40.0 µM

Host

Heptakis o %282 hydroxypropyl%29 beta cyclodextrin
heptakis-O-(2-hydroxypropyl)-β Cyclodextrin

c = 0.0 — 700.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 1000.0 ± M-1
Kd =
logKa = 3.0 ± 0.0
T 20.0 °C 293 K
Energy kJ mol-1 kcal mol-1
ΔG = -16.84 ± 0.0 -4.02 ± 0.0
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Fluorescence
𝛌ex = 460.0 nm
𝛌em = 575.0 nm
IboundIfree = 23.0
Detailed information about the solvation.
Solvent System Buffer System 500 mM phosphate buffer pH-7.5
Solvents water
Additives phosphate
Source of Concentration estimated
Total concentration 50.0 mM
pH 7.5
Please find here information about the dataset this interaction is part of.
Citation:

G. Zhang, S. Shuang, Z. Dong, C. Dong, J. Pan, SupraBank 2024, Investigation on the inclusion behavior of neutral red with β-cyclodextrin, hydroxypropyl-β-cyclodextrin and sulfobutylether-β-cyclodextrin (dataset). https://doi.org/10.34804/supra.20210928127

Link: https://doi.org/10.34804/supra.20210928127
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

G. Zhang, S. Shuang, Z. Dong, C. Dong, J. Pan, Analytica Chimica Acta 2002, 474, 189–195.

Link: https://doi.org/10.1016/S0003-2670(02)01016-4
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Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of Neutral red hydrochloride (0.02 M) and heptakis-O-(2-hydroxypropyl)-β Cyclodextrin (0 — 0.04 M).