Interaction

curated

Interaction Scheme

Molecule

Oxazine 1
Oxazine 1

c = 1.2 µM

Host

Beta cd
β-CD

c = 0.0 — 18000.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 1120.0 M-1
Kd =
logKa = 3.05
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -17.41 -4.16
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Fluorescence
𝛌ex = 600.0 nm
𝛌em = 672.0 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, H. Pal, A. C. Bhasikuttan, M. Sundararajan, M. Shaikh, SupraBank 2024, Supramolecular Host–Guest Interactions of Oxazine-1 Dye with β- and γ-Cyclodextrins: A Photophysical and Quantum Chemical Study (dataset). https://doi.org/10.34804/supra.20210928176

Link: https://doi.org/10.34804/supra.20210928176
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

M. Shaikh, J. Mohanty, M. Sundararajan, A. C. Bhasikuttan, H. Pal, J. Phys. Chem. B 2012, 116, 12450–12459.

Link: https://doi.org/10.1021/jp3087368
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Oxazine 1 (0.017857142857142856 M) and β-CD (0 — 0.03571428571428571 M).