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Molecular Assemblies Offering Hydrogen-Bonding Cavities: Influence of Macrocyclic Cavity and Hydrogen Bonding on Dye Adsorption.

Sanya PachisiaRuchika GuptaRajeev Gupta
Published in: Inorganic chemistry (2022)
This work presents a set of Hg macrocycles of amide-phosphine-based ligands offering H-bonding cavities of different dimensions. Such macrocycles are shown to selectively adsorb anionic dyes followed by neutral dyes as well as Prontosil, a biologically relevant antibiotic, within their cavities with the aid of H-bonding-assisted encapsulation. Kinetic experiments supported by spectroscopic and docking studies illustrate the importance of the cavity structure as well as H-bonds for the selective adsorption of dyes.
Keyphrases
  • aqueous solution
  • molecular docking
  • molecular dynamics
  • molecular dynamics simulations
  • protein protein
  • small molecule
  • single molecule