(Q35104404)

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Theoretical study of the mechanism of oxoiron(IV) formation from H2O2 and a nonheme iron(II) complex: O-O cleavage involving proton-coupled electron transfer

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scholarly article

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Europe PubMed Central

PubMed publication ID

6 August 2017

Theoretical study of the mechanism of oxoiron(IV) formation from H2O2 and a nonheme iron(II) complex: O-O cleavage involving proton-coupled electron transfer (English)

1 reference

Europe PubMed Central

PubMed publication ID

6 August 2017

proton-coupled electron transfer

1 reference

based on heuristic

inferred from title

author name string

Hajime Hirao

1

1 reference

Europe PubMed Central

PubMed publication ID

6 August 2017

Feifei Li

2

1 reference

Europe PubMed Central

PubMed publication ID

6 August 2017

Lawrence Que

3

1 reference

Europe PubMed Central

PubMed publication ID

6 August 2017

Keiji Morokuma

4

1 reference

Europe PubMed Central

PubMed publication ID

6 August 2017

language of work or name

0 references

publication date

16 June 2011

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Europe PubMed Central

PubMed publication ID

6 August 2017

Inorganic Chemistry

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Europe PubMed Central

PubMed publication ID

6 August 2017

50

1 reference

Europe PubMed Central

PubMed publication ID

6 August 2017

14

1 reference

Europe PubMed Central

PubMed publication ID

6 August 2017

6637-6648

1 reference

Europe PubMed Central

PubMed publication ID

6 August 2017

Formation of the iron-oxo hydroxylating species in the catalytic cycle of aromatic amino acid hydroxylases.

1 reference

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Ferric superoxide and ferric hydroxide are used in the catalytic mechanism of hydroxyethylphosphonate dioxygenase: a density functional theory investigation

1 reference

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Reaction coordinate of isopenicillin N synthase: oxidase versus oxygenase activity

1 reference

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Hydrocarbon hydroxylation by cytochrome P450 enzymes

1 reference

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Spectroscopy and kinetics of wild-type and mutant tyrosine hydroxylase: mechanistic insight into O2 activation

1 reference

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Demonstration of a peroxide shunt in the tetrahydropterin-dependent aromatic amino acid monooxygenases

1 reference

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The mechanism for isopenicillin N synthase from density-functional modeling highlights the similarities with other enzymes in the 2-His-1-carboxylate family

1 reference

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Axial ligand tuning of a nonheme iron(IV)-oxo unit for hydrogen atom abstraction

1 reference

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The road to non-heme oxoferryls and beyond

1 reference

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Non-heme Fe(IV)-oxo intermediates

1 reference

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Reactivity of high-valent iron-oxo species in enzymes and synthetic reagents: a tale of many states

1 reference

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High-valent iron(IV)-oxo complexes of heme and non-heme ligands in oxygenation reactions

1 reference

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Structure and chemistry of cytochrome P450.

1 reference

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9 July 2018

Mechanism of oxidation reactions catalyzed by cytochrome p450 enzymes.

1 reference

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Mechanism of dioxygen cleavage in tetrahydrobiopterin-dependent amino acid hydroxylases

1 reference

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9 July 2018

Heme-Containing Oxygenases

1 reference

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Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

1 reference

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Structure of isopenicillin N synthase complexed with substrate and the mechanism of penicillin formation

1 reference

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VMD: visual molecular dynamics

1 reference

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Horseradish peroxidase His-42 --> Ala, His-42 --> Val, and Phe-41 --> Ala mutants. Histidine catalysis and control of substrate access to the heme iron

1 reference

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Near-stoichiometric conversion of H(2)O(2) to Fe(IV)=O at a nonheme iron(II) center. Insights into the O-O bond cleavage step

1 reference

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1 reference

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A two-state reactivity rationale for counterintuitive axial ligand effects on the C-H activation reactivity of nonheme FeIV=O oxidants

1 reference

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Hydrogen peroxide decomposition by a non-heme iron(III) catalase mimic: a DFT study.

1 reference

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Proton-shuffle mechanism of O-O activation for formation of a high-valent oxo-iron species of bleomycin.

1 reference

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1 reference

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1 reference

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1 reference

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Quantum mechanical continuum solvation models.

1 reference

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Theory favors a stepwise mechanism of porphyrin degradation by a ferric hydroperoxide model of the active species of heme oxygenase.

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1 reference

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1 reference

https://pubmed.ncbi.nlm.nih.gov/21678930

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based on heuristic

inferred from PubMed ID database lookup

Catalytic activities and structural properties of horseradish peroxidase distal His42 --> Glu or Gln mutant

1 reference

https://pubmed.ncbi.nlm.nih.gov/21678930

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based on heuristic

inferred from PubMed ID database lookup

DFT study of the active intermediate in the Fenton reaction

1 reference

https://pubmed.ncbi.nlm.nih.gov/21678930

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A thiolate-ligated nonheme oxoiron(IV) complex relevant to cytochrome P450

1 reference

https://pubmed.ncbi.nlm.nih.gov/21678930

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inferred from PubMed ID database lookup

Proton-coupled electron transfer

1 reference

https://pubmed.ncbi.nlm.nih.gov/21678930

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

The stereochemistry of peroxidase catalysis

1 reference

https://pubmed.ncbi.nlm.nih.gov/21678930

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Identifiers

10.1021/IC200522R

1 reference

Europe PubMed Central

PubMed publication ID

6 August 2017

PMC publication ID

1 reference

Europe PubMed Central

PubMed publication ID

6 August 2017

PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

6 August 2017

ResearchGate publication ID

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