Interaction

curated

Interaction Scheme

Molecule

Nile blue chloride
Nile Blue chloride

c = 2.0 µM

Host

Tetraundecyl calix 4 arene
Cx4R-C11

c = 0.0 — 40.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 9.80⋅106 ± 8.00⋅105 M-1
Kd =
logKa = 6.99 ± 0.04
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -39.91 ± 0.2 -9.54 ± 0.05
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Fluorescence
𝛌ex = 490.0 nm
𝛌em = 585.0 nm
Ibound⁄Ifree = 0.03
Detailed information about the solvation.
Solvent System Single Solvent
Solvent toluene
Please find here information about the dataset this interaction is part of.
Citation:

L. Biczók, M. Kubinyi, J. Brátán, A. Grofcsik, B. Poór, I. Bitter, A. Grün, B. Bogáti, K. Tóth, SupraBank 2025, Proton transfer and supramolecular complex formation between Nile Blue and tetraundecylcalix[4]resorcinarene—a fluorescence spectroscopic study (dataset). https://doi.org/10.34804/supra.20210928142

Link: https://doi.org/10.34804/supra.20210928142
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

M. Kubinyi, J. Brátán, A. Grofcsik, L. Biczók, B. Poór, I. Bitter, A. Grün, B. Bogáti, K. Tóth, J. Chem. Soc., Perkin Trans. 2 2002, 1784–1789.

Link: https://doi.org/10.1039/B202637F
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Nile Blue chloride (2.040816326530612e-06 M) and Cx4R-C11 (0 — 4.081632653061224e-06 M).