Interaction

curated

Interaction Scheme

Molecule

Untitled
Phenylephrine

c = 0.0 — 1000.0 µM

Host

Acyclic sodium 3 3' %28naphthalene 1 4 diylbis%28oxy%29%29bis%28propane 1 sulfonate%29 cucurbituril
Acyclic sodium 3,3'-(naphthalene-1,4-diylbis(ox...

c = 3.0 µM

Indicator

Europium trinitrate hexahydrate
Europium trinitrate hexahydrate

c = 300.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 1100.0 ± 19.8 M-1
Kd =
logKa = 3.04 ± 0.01
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -17.36 ± 0.04 -4.15 ± 0.01
These are the specifications of the determination of the experimental results.
Detection Method: Competitive
Assay Type: Competitive Binding Assay
Technique: Fluorescence
𝛌ex = 301.0 nm
𝛌em = 370.0 nm
Detailed information about the solvation.
Solvent System Complex Mixture
Solvents water 100.0 %
Additives hydrochloric acid
pH 3.0
Please find here information about the dataset this interaction is part of.
Citation:

T. Minami, N. A. Esipenko, B. Zhang, L. Isaacs, P. Anzenbacher, A. Akdeniz, SupraBank 2024, Multianalyte Sensing of Addictive Over-the-Counter (OTC) Drugs (dataset). https://doi.org/10.34804/supra.2021092860

Link: https://doi.org/10.34804/supra.2021092860
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

T. Minami, N. A. Esipenko, A. Akdeniz, B. Zhang, L. Isaacs, P. Anzenbacher Jr., J. Am. Chem. Soc. 2013, 135, 15238–15243.

Link: https://doi.org/10.1021/ja407722a
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Phenylephrine (0.01818181818181818 M) and Acyclic sodium 3,3'-(naphthalene-1,4-diylbis(oxy))bis(propane-1-sulfonate) Cucurbituril (0 — 0.03636363636363636 M).