Interaction

curated

Interaction Scheme

Molecule

Bromide
Br-

Host

Me12bu
Me12BU

c = 80.0 µM

Indicator

Chloride
Cl-

c = 250.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 4.00⋅107 ± 8.00⋅106 M-1
Kd =
logKa = 7.6 ± 0.09
T 24.0 °C ≈ 297 K
Energy kJ mol-1 kcal mol-1
ΔG = -43.25 ± 0.5 -10.34 ± 0.12
These are the specifications of the determination of the experimental results.
Detection Method: Competitive
Assay Type: Competitive Binding Assay
Technique: Isothermal Titration Calorimetry
Molecule: syringe
Partner: cell
Indicator: cell
Detailed information about the solvation.
Solvent System Complex Mixture
Solvents chloroform 50.0 %
methanol 50.0 %
Please find here information about the dataset this interaction is part of.
Citation:

V. Sindelar, J. Svec, Á. Révész, D. Schröder, M. Wimmerová, SupraBank 2024, Anion Binding by Bambus[6]uril Probed in the Gas Phase and in Solution (dataset). https://doi.org/10.34804/supra.20210928107

Link: https://doi.org/10.34804/supra.20210928107
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

Á. Révész, D. Schröder, J. Svec, M. Wimmerová, V. Sindelar, J. Phys. Chem. A 2011, 115, 11378–11386.

Link: https://doi.org/10.1021/jp205218k
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Br- (5.0e-07 M) and Me12BU (0 — 1.0e-06 M).