Interaction Scheme

Molecule

4 %28dimethylamino%29benzonitrile
4-DMABN

c = 11.0 µM

Host

Beta cd
β-CD

c = 0.0 — 1800.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 560.0 ± 100.0 M-1
Kd =
logKa = 2.75 ± 0.08
T 25.0 °C 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -15.69 ± 0.45 -3.75 ± 0.11
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Fluorescence
𝛌ex = 299.0 nm
𝛌em = 535.0 nm
IboundIfree = 2.5
Detailed information about the solvation.
Solvent System Single Solvent
Solvent water
Please find here information about the dataset this interaction is part of.
Citation:

J. Mohanty, H. Pal, A. C. Bhasikuttan, M. Shaikh, SupraBank 2024, Tuning dual emission behavior of p-dialkylaminobenzonitriles by supramolecular interactions with cyclodextrin hosts (dataset). https://doi.org/10.34804/supra.20210928333

Link: https://doi.org/10.34804/supra.20210928333
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

M. Shaikh, J. Mohanty, A. C. Bhasikuttan, H. Pal, Photochem. Photobiol. Sci. 2008, 7, 979.

Link: https://doi.org/10.1039/B719518D
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Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of 4-DMABN (0.03571428571428571 M) and β-CD (0 — 0.07142857142857142 M).