Interaction

curated

Interaction Scheme

Molecule

Tetrafluoroborate
Tetrafluoroborate

Host

Carboxybenzyl bu
Dodeca(4-carboxybenzyl)bambus[6]uril

Indicator

Chloride
Cl-

c = 100000.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 4.30⋅106 ± 4.30⋅105 M-1
Kd =
logKa = 6.63 ± 0.04
T 30.0 °C ≈ 303 K
Energy kJ mol-1 kcal mol-1
ΔG = -38.5 ± 0.25 -9.2 ± 0.06
These are the specifications of the determination of the experimental results.
Detection Method: Competitive
Assay Type: Competitive Binding Assay
Technique: Nuclear Magnetic Resonance
Detailed information about the solvation.
Solvent System Complex Mixture
Solvents Deuterium Oxide
Additives Dipotassium deu... 20.0 mM
Total concentration 20.0 mM
pH 7.1
Please find here information about the dataset this interaction is part of.
Citation:

V. Havel, V. Sindelar, M. A. Yawer, SupraBank 2024, A Bambusuril Macrocycle that Binds Anions in Water with High Affinity and Selectivity (dataset). https://doi.org/10.34804/supra.2021092811

Link: https://doi.org/10.34804/supra.2021092811
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

M. A. Yawer, V. Havel, V. Sindelar, Angew. Chem. Int. Ed. 2014, 54, 276–279.

Link: https://doi.org/10.1002/anie.201409895
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Tetrafluoroborate (4.651162790697674e-06 M) and Dodeca(4-carboxybenzyl)bambus[6]uril (0 — 9.302325581395349e-06 M).