Interaction Scheme

Molecule

Neutral red protonated
Neutral Red protonated

c = 3.0 µM

Host

Scx4
sCx4

c = 0.0 — 310.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 6.60⋅105 M-1
Kd =
logKa = 5.82
T 25.0 °C 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -33.22 -7.94
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 = 637.0 nm
Detailed information about the solvation.
Solvent System Complex Mixture
Solvents water
Additives hydrochloric acid
Perchloric acid
pH 5.0
Please find here information about the dataset this interaction is part of.
Citation:

J. Mohanty, A. C. Bhasikuttan, R. Khurana, N. Barooah, M. N. Shinde, SupraBank 2024, Metal ion-induced supramolecular pKa tuning and fluorescence regeneration of a p-sulfonatocalixarene encapsulated neutral red dye (dataset). https://doi.org/10.34804/supra.20210928367

Link: https://doi.org/10.34804/supra.20210928367
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

M. N. Shinde, R. Khurana, N. Barooah, A. C. Bhasikuttan, J. Mohanty, Org. Biomol. Chem. 2017, 15, 3975–3984.

Link: https://doi.org/10.1039/c7ob00506g
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Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of Neutral Red protonated (3.0303030303030302e-05 M) and sCx4 (0 — 6.0606060606060605e-05 M).