Interaction Scheme

Molecule

Neutral red protonated
Neutral Red protonated

c = 3.0 µM

Host

Cb8
CB8

c = 0.0 — 8.0 µM

Binding Properties

𝜈 Molecule 2 : 1 Host
Ka = 1.80⋅1011 ± M-2
Kd =
logKa = 11.26 ± 0.0
T 25.0 °C 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -64.25 ± 0.0 -15.36 ± 0.0
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Fluorescence
𝛌ex = 509.0 nm
𝛌em = 600.0 nm
IboundIfree = 0.1
Detailed information about the solvation.
Solvent System Single Solvent
Solvent water
pH 5.0
Please find here information about the dataset this interaction is part of.
Citation:

J. Mohanty, H. Pal, A. C. Bhasikuttan, M. Shaikh, S. D. Choudhury, SupraBank 2024, Contrasting guest binding interaction of cucurbit[7-8]urils with neutral red dye: controlled exchange of multiple guests (dataset). https://doi.org/10.34804/supra.20210928351

Link: https://doi.org/10.34804/supra.20210928351
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

M. Shaikh, S. D. Choudhury, J. Mohanty, A. C. Bhasikuttan, H. Pal, Phys. Chem. Chem. Phys. 2010, 12, 7050.

Link: https://doi.org/10.1039/B922778D
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Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of Neutral Red protonated (1.1111111111111111e-10 M) and CB8 (0 — 2.2222222222222221e-10 M).