Coordination-cage binding and catalysed hydrolysis of organophosphorus chemical warfare agent simulants.

ABSTRACT: The use of organophosphorus chemical warfare agents still remains an ongoing global threat. Here we investigate the binding of small-molecule organic guests including phosphate esters, sulfonate esters, carbonate esters and a sulfite ester - some of which act as simulants for organophosphorus chemical warfare agents - in the cavity of a water-soluble coordination cage. For several of these guest species, binding constants in the range 10² to 10³ M^-1 were determined in water/DMSO (98 : 2 v/v) solution, through a combination of fluorescence and ¹H NMR spectroscopy, and subsequent fitting of titration data to a 1 : 1 binding isotherm model. For three cage/guest complexes crystallographic structure determinations were possible: in two cases (with gue

SUBMITTER: Sudittapong B 

PROVIDER: S-EPMC11331485 | biostudies-literature | 2024 Aug

REPOSITORIES: biostudies-literature