Spectroscopic and electronic structure studies of aromatic electrophilic attack and hydrogen-atom abstraction by non-heme iron enzymes
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Inversion of enantioselectivity of a mononuclear non-heme iron(II)-dependent hydroxylase by tuning the interplay of metal-center geometry and protein structure4-hydroxyphenylpyruvate dioxygenase catalysis: identification of catalytic residues and production of a hydroxylated intermediate shared with a structurally unrelated enzymeNear-IR MCD of the nonheme ferrous active site in naphthalene 1,2-dioxygenase: correlation to crystallography and structural insight into the mechanism of Rieske dioxygenases.Elucidation of the Fe(IV)=O intermediate in the catalytic cycle of the halogenase SyrB2.Excited state potential energy surfaces and their interactions in Fe(IV)=O active sitesAlternative Pathway for the Reaction Catalyzed by DNA Dealkylase AlkB from Ab Initio QM/MM CalculationsNonheme oxo-iron(IV) intermediates form an oxyl radical upon approaching the C-H bond activation transition state.Profile of Edward I. Solomon.Non-heme Fe(IV)-oxo intermediates.Nuclear resonance vibrational spectroscopy on the Fe(IV)=O S=2 non-heme site in TMG3tren: experimentally calibrated insights into reactivity.Chiral hydroxylation at the mononuclear nonheme Fe(II) center of 4-(S) hydroxymandelate synthase--a structure-activity relationship analysis.De novo sequencing and analysis of Lophophora williamsii transcriptome, and searching for putative genes involved in mescaline biosynthesis.[Fe(IV)═O(TBC)(CH3CN)]2+: comparative reactivity of iron(IV)-oxo species with constrained equatorial cyclam ligation.π-Frontier molecular orbitals in S = 2 ferryl species and elucidation of their contributions to reactivity.Intramolecular gas-phase reactions of synthetic nonheme oxoiron(IV) ions: proximity and spin-state reactivity rulesHydrogen-bonding effects on the reactivity of [X-Fe(III)-O-Fe(IV)═O] (X = OH, F) complexes toward C-H bond cleavage.Spectroscopic and quantum chemical studies on low-spin FeIV=O complexes: Fe-O bonding and its contributions to reactivity.Electronic Structure of the Ferryl Intermediate in the α-Ketoglutarate Dependent Non-Heme Iron Halogenase SyrB2: Contributions to H Atom Abstraction ReactivitySpectroscopic Evidence for the Two C-H-Cleaving Intermediates of Aspergillus nidulans Isopenicillin N Synthase.A combined NRVS and DFT study of Fe(IV)=O model complexes: a diagnostic method for the elucidation of non-heme iron enzyme intermediates.Peroxo and oxo intermediates in mononuclear nonheme iron enzymes and related active sitesMeasuring the orientation of taurine in the active site of the non-heme Fe(II)/α-ketoglutarate-dependent taurine hydroxylase (TauD) using electron spin echo envelope modulation (ESEEM) spectroscopy.Do Spin State and Spin Density Affect Hydrogen Atom Transfer Reactivity?Geometric and electronic structure contributions to function in non-heme iron enzymes.Transition-metal ions in zeolites: coordination and activation of oxygen.Metal-mediated targeting in the body.Applications of density functional theory to iron-containing molecules of bioinorganic interest.Electronic structure analysis of the oxygen-activation mechanism by Fe(II)- and α-ketoglutarate (αKG)-dependent dioxygenases.3D Pharmacophore-Based Virtual Screening and Docking Approaches toward the Discovery of Novel HPPD Inhibitors.Mono- and binuclear non-heme iron chemistry from a theoretical perspective.Go it alone: four-electron oxidations by mononuclear non-heme iron enzymes.Activation of α-keto acid-dependent dioxygenases: application of an {FeNO}7/{FeO2}8 methodology for characterizing the initial steps of O2 activation.Aromatic C-F Hydroxylation by Nonheme Iron(IV)-Oxo Complexes: Structural, Spectroscopic, and Mechanistic Investigations.The active site of low-temperature methane hydroxylation in iron-containing zeolites.Secondary coordination sphere influence on the reactivity of nonheme iron(II) complexes: an experimental and DFT approach.The three-his triad in Dke1: comparisons to the classical facial triad.Direct observation of a nonheme iron(IV)-oxo complex that mediates aromatic C-F hydroxylation.Spectroscopic studies of the mononuclear non-heme Fe(II) enzyme FIH: second-sphere contributions to reactivity.O2 Activation by Non-Heme Iron Enzymes.Analysis of an alternative to the H-atom abstraction mechanism in methane C-H bond activation by nonheme iron(IV)-oxo oxidants.
P2860
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P2860
Spectroscopic and electronic structure studies of aromatic electrophilic attack and hydrogen-atom abstraction by non-heme iron enzymes
description
2006 nî lūn-bûn
@nan
2006 թուականի Օգոստոսին հրատարակուած գիտական յօդուած
@hyw
2006 թվականի օգոստոսին հրատարակված գիտական հոդված
@hy
2006年の論文
@ja
2006年論文
@yue
2006年論文
@zh-hant
2006年論文
@zh-hk
2006年論文
@zh-mo
2006年論文
@zh-tw
2006年论文
@wuu
name
Spectroscopic and electronic s ...... ction by non-heme iron enzymes
@ast
Spectroscopic and electronic s ...... ction by non-heme iron enzymes
@en
type
label
Spectroscopic and electronic s ...... ction by non-heme iron enzymes
@ast
Spectroscopic and electronic s ...... ction by non-heme iron enzymes
@en
prefLabel
Spectroscopic and electronic s ...... ction by non-heme iron enzymes
@ast
Spectroscopic and electronic s ...... ction by non-heme iron enzymes
@en
P2093
P2860
P356
P1476
Spectroscopic and electronic s ...... ction by non-heme iron enzymes
@en
P2093
Andrea Decker
Fanglu Huang
Graham R Moran
Jonathan B Spencer
Michael Kavana
Michael L Neidig
Oliver W Choroba
P2860
P304
12966-12973
P356
10.1073/PNAS.0605067103
P407
P577
2006-08-18T00:00:00Z