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Mechanistic dichotomies in redox reactions of mononuclear metal–oxygen intermediates
There are mechanistic dichotomies with regard to the formation, electronic structures and
reaction mechanisms of metal–oxygen intermediates, since these metal–oxygen species …
reaction mechanisms of metal–oxygen intermediates, since these metal–oxygen species …
Manganese–Oxygen intermediates in O–O bond activation and hydrogen-atom transfer reactions
Conspectus Biological systems capitalize on the redox versatility of manganese to perform
reactions involving dioxygen and its derivatives superoxide, hydrogen peroxide, and water …
reactions involving dioxygen and its derivatives superoxide, hydrogen peroxide, and water …
New strategies for direct methane-to-methanol conversion from active learning exploration of 16 million catalysts
Despite decades of effort, no earth-abundant homogeneous catalysts have been discovered
that can selectively oxidize methane to methanol. We exploit active learning to …
that can selectively oxidize methane to methanol. We exploit active learning to …
The spin-forbidden transition in iron (IV)-oxo catalysts relevant to two-state reactivity
Quintet oxoiron (IV) intermediates are often invoked in nonheme iron enzymes capable of
performing selective oxidation, while most well-characterized synthetic model oxoiron (IV) …
performing selective oxidation, while most well-characterized synthetic model oxoiron (IV) …
Using computational chemistry to reveal nature's blueprints for single-site catalysis of C–H activation
The challenge of activating inert C–H bonds motivates a study of catalysts that draws from
what can be accomplished by natural enzymes and translates these advantageous features …
what can be accomplished by natural enzymes and translates these advantageous features …
Selective C–H halogenation over hydroxylation by non-heme iron (IV)-oxo
Non-heme iron based halogenase enzymes promote selective halogenation of the sp3-C–H
bond through iron (IV)-oxo-halide active species. During halogenation, competitive …
bond through iron (IV)-oxo-halide active species. During halogenation, competitive …
Controlling Redox Potential of a Manganese (III)–Bis (hydroxo) Complex through Protonation and the Hydrogen-Atom Transfer Reactivity
Y Lee, D Moon, J Cho - Journal of the American Chemical Society, 2024 - ACS Publications
A series of mononuclear manganese (III)–hydroxo and− aqua complexes,[MnIII
(TBDAP)(OH) 2]+(1),[MnIII (TBDAP)(OH)(OH2)] 2+(2) and [MnIII (TBDAP)(OH2) 2] 3+(3) …
(TBDAP)(OH) 2]+(1),[MnIII (TBDAP)(OH)(OH2)] 2+(2) and [MnIII (TBDAP)(OH2) 2] 3+(3) …
Mechanistic insights into the enantioselective epoxidation of olefins by bioinspired manganese complexes: role of carboxylic acid and nature of active oxidant
Bioinspired manganese and iron complexes bearing nonporphyrinic tetradentate N4 ligands
are highly efficient catalysts in asymmetric oxidation reactions by hydrogen peroxide …
are highly efficient catalysts in asymmetric oxidation reactions by hydrogen peroxide …
Fe-catalyzed aziridination is governed by the electron affinity of the active imido-iron species
Aziridination has very recently been found to be catalyzed by heme and nonheme Fe
enzymes, opening the way to biotechnological developments. However, its mechanism is …
enzymes, opening the way to biotechnological developments. However, its mechanism is …
Crystallographic Evidence for a Sterically Induced Ferryl Tilt in a Non‐Heme Oxoiron (IV) Complex that Makes it a Better Oxidant
Oxoiron (IV) units are often implicated as intermediates in the catalytic cycles of non‐heme
iron oxygenases and oxidases. The most reactive synthetic analogues of these …
iron oxygenases and oxidases. The most reactive synthetic analogues of these …