Interaction

curated

Interaction Scheme

Molecule

Methylene blue
Methylene Blue

c = 10.0 µM

Host

Scx4
sCx4

c = 0.0 — 50.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 1.41⋅105 ± M-1
Kd =
logKa = 5.15 ± 0.0
T 20.0 °C ≈ 293 K
Energy kJ mol-1 kcal mol-1
ΔG = -28.9 ± 0.0 -6.91 ± 0.0
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Fluorescence
𝛌ex = 640.0 nm
𝛌em = 698.0 nm
Ibound⁄Ifree = 0.2
Detailed information about the solvation.
Solvent System Buffer System 120 mM Britton–Robinson pH-7.5
Solvents water
Additives BORIC ACID 40.0 mM
acetic acid 40.0 mM
Phosphoric acid 40.0 mM
hydrochloric acid
Source of Concentration
Total concentration 120.0 mM
pH 7.5
Please find here information about the dataset this interaction is part of.
Citation:

Q. Lu, J. Gu, H. Yu, C. Liu, L. Wang, Y. Zhou, SupraBank 2024, Study on the inclusion interaction of p-sulfonated calix[n]arenes with Vitamin K3 using methylene blue as a spectral probe (dataset). https://doi.org/10.34804/supra.2021092893

Link: https://doi.org/10.34804/supra.2021092893
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

Q. Lu, J. Gu, H. Yu, C. Liu, L. Wang, Y. Zhou, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 2007, 68, 15–20.

Link: https://doi.org/10.1016/j.saa.2006.10.044
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Methylene Blue (0.00014184397163120567 M) and sCx4 (0 — 0.00028368794326241134 M).