Interaction

curated

Interaction Scheme

Molecule

Untitled
Phenylephrine

Host

Cb7
CB7

c = 35.0 µM

Indicator

Bc
Berberine chloride

c = 20.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 4.00⋅106 ± 8.00⋅105 M-1
Kd =
logKa = 6.6 ± 0.09
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -37.68 ± 0.5 -9.01 ± 0.12
Comment
pKa of the guest in free - 9.35 and complexed form - 10.52.
These are the specifications of the determination of the experimental results.
Detection Method: Competitive
Assay Type: Competitive Binding Assay
Technique: Fluorescence
𝛌ex = 345.0 nm
𝛌em = 495.0 nm
Detailed information about the solvation.
Solvent System Single Solvent
Solvent water
pH 3.0
Please find here information about the dataset this interaction is part of.
Citation:

K. I. Assaf, M. A. Alnajjar, A. N. Faraj, E. S. M. Abu-Nameh, SupraBank 2024, Supramolecular complexation of phenylephrine by cucurbit[7]uril in aqueous solution (dataset). https://doi.org/10.34804/supra.20240809564

Link: https://doi.org/10.34804/supra.20240809564
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

K. I. Assaf, A. N. Faraj, E. S. M. Abu-Nameh, M. A. Alnajjar, RSC Adv. 2024, 14, 13286–13290.

Link: https://doi.org/10.1039/D4RA01910E%20
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Phenylephrine (5.0e-06 M) and CB7 (0 — 1.0e-05 M).