Interaction

curated

Interaction Scheme

Molecule

Iodide
I-

Host

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

c = 1000.0 µM

Indicator

Chloride
Cl-

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 1.00⋅107 ± 1.00⋅106 M-1
Kd =
logKa = 7.0 ± 0.04
T 30.0 °C ≈ 303 K
Energy kJ mol-1 kcal mol-1
ΔG = -40.63 ± 0.25 -9.71 ± 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 100.0 %
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. Babiak, SupraBank 2025, Modulation of Bambusuril Anion Affinity in Water (dataset). https://doi.org/10.34804/supra.20210928363

Link: https://doi.org/10.34804/supra.20210928363
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

V. Havel, M. Babiak, V. Sindelar, Chem. Eur. J. 2017, 23, 8963–8968.

Link: https://doi.org/10.1002/chem.201701316
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of I- (2.0e-06 M) and Dodeca(4-carboxybenzyl)bambus[6]uril (0 — 4.0e-06 M).