Interaction Scheme

Molecule

Untitled
Sodium hydrosulfide hydrate

Host

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

c = 500.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 324.0 M-1
Kd =
logKa = 2.51
T 28.0 °C 301 K
Energy kJ mol-1 kcal mol-1
ΔG = -14.47 -3.46
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Nuclear Magnetic Resonance
Detailed information about the solvation.
Solvent System Buffer System 17 mM deuterated phosphate pD-10
Solvents Deuterium Oxide
Additives Trisodium phosp... 17.0 mM
Source of Concentration real
Total concentration 17.0 mM
pH 10.0
Please find here information about the dataset this interaction is part of.
Citation:

V. Sindelar, J. Vázquez Gonzálvez, SupraBank 2024, Supramolecular binding and release of sulfide and hydrosulfide anions in water (dataset). https://doi.org/10.34804/supra.20210928364

Link: https://doi.org/10.34804/supra.20210928364
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

J. Vázquez, V. Sindelar, Chem. Commun. 2018, 54, 5859–5862.

Link: https://doi.org/10.1039/C8CC00470F
Export: BibTex | RIS | EndNote |

Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of Sodium hydrosulfide hydrate (0.06172839506172839 M) and Dodeca(4-carboxybenzyl)bambus[6]uril (0 — 0.12345679012345678 M).