Interaction

curated

Interaction Scheme

Molecule

Untitled
Pyrene

c = 0.0 µM

Host

Beta cd
β-CD

c = 0.0 — 12000.0 µM

Cofactor

Cx4 co tbu pyrene
CX4-CO-tBu-Pyrene

c = 5.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 2200.0 M-1
Kd =
logKa = 3.34
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -19.08 -4.56
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Associative Binding Assay
Technique: Fluorescence
𝛌ex = 345.0 nm
𝛌em = 378.0 nm
Detailed information about the solvation.
Solvent System Single Solvent
Solvent water
pH 7.0
Please find here information about the dataset this interaction is part of.
Citation:

J. Mohanty, V. S. Kalyani, D. D. Malkhede, SupraBank 2024, Cyclodextrin-assisted modulation of the photophysical properties and acidity constant of pyrene-armed calix[4]arene (dataset). https://doi.org/10.34804/supra.20210928178

Link: https://doi.org/10.34804/supra.20210928178
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

V. S. Kalyani, D. D. Malkhede, J. Mohanty, Phys. Chem. Chem. Phys. 2017, 19, 21382–21389.

Link: https://doi.org/10.1039/c7cp01894k
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Pyrene (0.00909090909090909 M) and β-CD (0 — 0.01818181818181818 M).