Electronic Structure of the Ferryl Intermediate in the α-Ketoglutarate Dependent Non-Heme Iron Halogenase SyrB2: Contributions to H Atom Abstraction Reactivity

Electronic Structure of the Ferryl Intermediate in the α-Ketoglutarate Dependent Non-Heme Iron Halogenase SyrB2: Contributions to H Atom Abstraction Reactivity

Item
http://www.wikidata.org/entity/Q37052683
Mono- and binuclear non-heme iron chemistry from a theoretical perspective.Dioxygen activation by nonheme iron enzymes with the 2-His-1-carboxylate facial triad that generate high-valent oxoiron oxidants.VTST/MT studies of the catalytic mechanism of C-H activation by transition metal complexes with [Cu2(μ-O2)], [Fe2(μ-O2)] and Fe(IV)-O cores based on DFT potential energy surfaces.O2 Activation by Non-Heme Iron Enzymes.Vanadyl as a Stable Structural Mimic of Reactive Ferryl Intermediates in Mononuclear Nonheme-Iron Enzymes.Formation and structure of the ferryl [Fe[double bond, length as m-dash]O] intermediate in the non-haem iron halogenase SyrB2: classical and QM/MM modelling agree.Frontier Molecular Orbital Contributions to Chlorination versus Hydroxylation Selectivity in the Non-Heme Iron Halogenase SyrB2.Evidence that oxidative dephosphorylation by the nonheme Fe(II), α-ketoglutarate:UMP oxygenase occurs by stereospecific hydroxylation.Structural characterization of a non-heme iron active site in zeolites that hydroxylates methaneWhy metal–oxos react with dihydroanthracene and cyclohexadiene at comparable rates, despite having different C–H bond strengths. A computational studycPCET versus HAT: A Direct Theoretical Method for Distinguishing X-H Bond-Activation MechanismsDoes Substrate Positioning Affect the Selectivity and Reactivity in the Hectochlorin Biosynthesis Halogenase?
P2860

Electronic Structure of the Ferryl Intermediate in the α-Ketoglutarate Dependent Non-Heme Iron Halogenase SyrB2: Contributions to H Atom Abstraction Reactivity

Item
http://www.wikidata.org/entity/Q37052683
description
article científic
@ca
article scientifique
@fr
articolo scientifico
@it
artigo científico
@pt
bilimsel makale
@tr
scientific article published on 29 March 2016
@en
vedecký článok
@sk
vetenskaplig artikel
@sv
videnskabelig artikel
@da
vědecký článek
@cs
name
Electronic Structure of the Fe ...... H Atom Abstraction Reactivity
@en
Electronic Structure of the Fe ...... H Atom Abstraction Reactivity.
@nl
type
label
Electronic Structure of the Fe ...... H Atom Abstraction Reactivity
@en
Electronic Structure of the Fe ...... H Atom Abstraction Reactivity.
@nl
prefLabel
Electronic Structure of the Fe ...... H Atom Abstraction Reactivity
@en
Electronic Structure of the Fe ...... H Atom Abstraction Reactivity.
@nl
P1433
P1476
P2093
P2860
P304
P31
P356
P407
P433
P478
P50
P577
P698
P932
P356
P1433
P1476
Electronic Structure of the Fe ...... H Atom Abstraction Reactivity
@en
P2093
P2860
P304
P31
P356
P407
P433
P478
P50
P577
P698
P932