Chelation Behaviors of 3,4,3-LI(1,2-HOPO) with Lanthanides and Actinides Implicated by Molecular Dynamics Simulations.
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DOI: 10.1021/acs.inorgchem.2c04460
Abstract: The hydroxypyridinone ligand 3,4,3-LI(1,2-HOPO) (denoted as t-HOPO) is a potential chelator agent for decorporation of in vivo actinides (An), while its coordination modes with actinides and the dynamics of the complexes (An(t-HOPO)) in aqueous phase… read more here.
Keywords: dynamics simulations; aqua ligand; molecular dynamics; ligand ... See more keywords