Interaction Scheme

Molecule

Nizatidine
Nizatidine

c = 0.0 — 250.0 µM

Host

Napthalene monofunctionalized cb6
Napthalene-monofunctionalized CB6

c = 3.0 µM

Indicator

Europium trinitrate hexahydrate
Europium trinitrate hexahydrate

c = 300.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 7.40⋅104 ± 1.33⋅104 M-1
Kd =
logKa = 4.87 ± 0.08
T 25.0 °C 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -27.79 ± 0.45 -6.64 ± 0.11
These are the specifications of the determination of the experimental results.
Detection Method: Competitive
Assay Type: Competitive Binding Assay
Technique: Fluorescence
𝛌ex = 280.0 nm
𝛌em = 320.0 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 Nizatidine (0.0002702702702702703 M) and Napthalene-monofunctionalized CB6 (0 — 0.0005405405405405405 M).