Interaction

curated

Interaction Scheme

Molecule

Oxazine 1
Oxazine 1

c = 1.0 µM

Host

Cb7
CB7

c = 0.0 — 15.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 1.90⋅106 M-1
Kd =
logKa = 6.28
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -35.84 -8.57
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 = 671.0 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. Sayed, M. Sundararajan, SupraBank 2024, Photophysical and Quantum Chemical Studies on the Interactions of Oxazine-1 Dye with Cucurbituril Macrocycles (dataset). https://doi.org/10.34804/supra.20210928172

Link: https://doi.org/10.34804/supra.20210928172
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

M. Sayed, M. Sundararajan, J. Mohanty, A. C. Bhasikuttan, H. Pal, J. Phys. Chem. B 2015, 119, 3046–3057.

Link: https://doi.org/10.1021/jp509243j
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Oxazine 1 (1.0526315789473684e-05 M) and CB7 (0 — 2.105263157894737e-05 M).