Advancing the Am Extractant Design through the Interplay among Planarity, Preorganization, and Substitution Effects.
Sign Up to like & getrecommendations! Published in 2022 at "Inorganic chemistry"
DOI: 10.1021/acs.inorgchem.2c00534
Abstract: Advancing the field of chemical separations is important for nearly every area of science and technology. Some of the most challenging separations are associated with the americium ion Am(III) for its extraction in the nuclear… read more here.
Keywords: substitution; extractant design; interplay among; preorganization ... See more keywords
Charge Density in Enzyme Active Site as a Descriptor of Electrostatic Preorganization
Sign Up to like & getrecommendations! Published in 2019 at "Journal of chemical information and modeling"
DOI: 10.1021/acs.jcim.8b00958
Abstract: Large protein macromolecules in enzymatic catalysis have been shown to exert a specific electric field that reduces the reorganization energy upon barrier crossing and thus reduces the reaction free energy barrier. In this work we… read more here.
Keywords: preorganization; charge density; charge; active site ... See more keywords
Theoretical insights into the separation of Am(III)/Eu(III): designing ligands based on a preorganization strategy.
Sign Up to like & getrecommendations! Published in 2022 at "Dalton transactions"
DOI: 10.1039/d2dt02474h
Abstract: Separation of trivalent actinide (An(III)) and lanthanide (Ln(III)) is a worldwide challenge of nuclear waste treatment. Designing ligands with efficient An(III)/Ln(III) separation performance is still one of the key issues for the disposal of accumulated… read more here.
Keywords: designing ligands; iii; preorganization; iii iii ... See more keywords