Interaction Scheme

Molecule

Neutral red hydrochloride
Neutral red hydrochloride

c = 11.7 µM

Host

Beta cd
β-CD

c = 0.0 — 10000.0 µM

Binding Properties

𝜈 Molecule 2 : 1 Host
Ka = 1.73⋅105 M-2
Kd =
logKa = 5.24 ± 0.0
T 25.0 °C 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -29.89 ± 0.0 -7.14 ± 0.0
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Fluorescence
𝛌ex = 444.0 nm
𝛌em = 588.0 nm
IboundIfree = 4.0
Detailed information about the solvation.
Solvent System Single Solvent
Solvent water
pH 9.0
Please find here information about the dataset this interaction is part of.
Citation:

M. K. Singh, H. Pal, A. S. R. Koti, A. V. Sapre, SupraBank 2024, Photophysical Properties and Rotational Relaxation Dynamics of Neutral Red Bound to β-Cyclodextrin (dataset). https://doi.org/10.34804/supra.20210928306

Link: https://doi.org/10.34804/supra.20210928306
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

M. K. Singh, H. Pal, A. S. R. Koti, A. V. Sapre, J. Phys. Chem. A 2004, 108, 1465–1474.

Link: https://doi.org/10.1021/jp035075e
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Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of Neutral red hydrochloride (0.00011586142973004287 M) and β-CD (0 — 0.00023172285946008574 M).