Interaction

curated

Interaction Scheme

Molecule

Paraquat
paraquat ion

c = 0.0 — 2.0 µM

Host

Wnbp
WNBP

c = 1.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 1.26⋅106 ± 4.00⋅105 M-1
Kd =
logKa = 6.1 ± 0.14
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -34.82 ± 0.82 -8.32 ± 0.2
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Fluorescence
𝛌ex = 275.0 nm
𝛌em = 410.0 nm
Detailed information about the solvation.
Solvent System Single Solvent
Solvent water
Please find here information about the dataset this interaction is part of.
Citation:

M. Dong, W. Qi, G. Sun, K. Xu, Y. Ma, J. Lv, L. Zhao, Z. Zhang, C. Li, SupraBank 2024, Synthesis of a water-soluble naphthalene-based macrocycle and its host–guest properties (dataset). https://doi.org/10.34804/supra.20230818489

Link: https://doi.org/10.34804/supra.20230818489
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

M. Dong, W. Qi, G. Sun, K. Xu, Y. Ma, J.-F. Lv, L. Zhao, Z.-Y. Zhang, C. Li, Org. Biomol. Chem. 2023, DOI 10.1039/d3ob00338h.

Link: https://doi.org/10.1039/d3ob00338h
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of paraquat ion (1.5873015873015872e-05 M) and WNBP (0 — 3.1746031746031745e-05 M).