Interaction Scheme

Molecule

Untitled
Na+

Host

%e6%8d%95%e8%8e%b7
pyrene-modified calix[4]arene derivative

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 2190.0 M-1
Kd =
logKa = 3.34
T 25.0 °C 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -19.07 -4.56
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Fluorescence
𝛌ex = 343.0 nm
𝛌em = 375.0 nm
Detailed information about the solvation.
Solvent System Complex Mixture
Solvents acetonitrile 90.0 %
dimethyl sulfoxide 10.0 %
Please find here information about the dataset this interaction is part of.
Citation:

Y. Liu, K. Wang, D. Guo, B. Jiang, SupraBank 2024, Highly selective fluorescent chemosensor for Na+ based on pyrene-modified calix[4]arene derivative (dataset). https://doi.org/10.34804/supra.20210928226

Link: https://doi.org/10.34804/supra.20210928226
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

K. R. Wang, D. S. Guo, B. P. Jiang, Y. Liu, Sci. China Ser. B-Chem. 2009, 52, 513–517.

Link: https://doi.org/10.1007/s11426-009-0011-5
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Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of Na+ (0.0091324200913242 M) and pyrene-modified calix[4]arene derivative (0 — 0.0182648401826484 M).