Exchange-enhanced reactivity in bond activation by metal-oxo enzymes and synthetic reagents (Q82901219)

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18 January 2020

title

Exchange-enhanced reactivity in bond activation by metal-oxo enzymes and synthetic reagents (English)

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18 January 2020

3

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18 January 2020

author name string

Sason Shaik

series ordinal

1

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18 January 2020

Hui Chen

series ordinal

2

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18 January 2020

publication date

15 December 2010

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18 January 2020

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18 January 2020

volume

3

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18 January 2020

issue

1

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18 January 2020

page(s)

19-27

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https://scigraph.springernature.com/pub.10.1038/nchem.943

18 January 2020

exact match

0 references

cites work

Two-state reactivity in alkane hydroxylation by non-heme iron-oxo complexes

1 reference

12 December 2020

P450 enzymes: their structure, reactivity, and selectivity-modeled by QM/MM calculations

1 reference

12 December 2020

(Salen)Mn(III)-catalyzed epoxidation reaction as a multichannel process with different spin states. Electronic tuning of asymmetric catalysis: a theoretical study

1 reference

12 December 2020

Spin forbidden chemical reactions of transition metal compounds. New ideas and new computational challenges

1 reference

12 December 2020

Mechanism of dioxygen cleavage in tetrahydrobiopterin-dependent amino acid hydroxylases

1 reference

12 December 2020

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

1 reference

12 December 2020

Spectroscopic and electronic structure studies of aromatic electrophilic attack and hydrogen-atom abstraction by non-heme iron enzymes

1 reference

12 December 2020

Finding intermediates in the O2 activation pathways of non-heme iron oxygenases.

1 reference

12 December 2020

The fundamental role of exchange-enhanced reactivity in C-H activation by S=2 oxo iron(IV) complexes

1 reference

12 December 2020

Origin of the correlation of the rate constant of substrate hydroxylation by nonheme iron(IV)-oxo complexes with the bond-dissociation energy of the C-H bond of the substrate.

1 reference

12 December 2020

Characterization of manganese(V)-oxo polyoxometalate intermediates and their properties in oxygen-transfer reactions

1 reference

12 December 2020

Spectroscopic and computational evaluation of the structure of the high-spin Fe(IV)-oxo intermediates in taurine: alpha-ketoglutarate dioxygenase from Escherichia coli and its His99Ala ligand variant.

1 reference

12 December 2020

What is the Active Species of Cytochrome P450 during Camphor Hydroxylation? QM/MM Studies of Different Electronic States of Compound I and of Reduced and Oxidized Iron−Oxo Intermediates

1 reference

12 December 2020

Experiment and theory reveal the fundamental difference between two-state and single-state reactivity patterns in nonheme Fe(IV)=O versus Ru(IV)=O oxidants

1 reference

12 December 2020

Two-state reactivity as a new concept in organometallic chemistry

1 reference

12 December 2020

Substrate trafficking and dioxygen activation in bacterial multicomponent monooxygenases.

1 reference

12 December 2020

Electronic structure and reactivity of isomeric oxo-Mn(V) porphyrins: effects of spin-state crossing and pKa modulation.

1 reference

12 December 2020

Transition-State Energy and Position along the Reaction Coordinate in an Extended Activation Strain Model

1 reference

12 December 2020

Million-fold activation of the [Fe(2)(micro-O)(2)] diamond core for C-H bond cleavage

1 reference

12 December 2020

The valence bond way: reactivity patterns of cytochrome P450 enzymes and synthetic analogs

1 reference

12 December 2020

Quantum chemical studies of C–H activation reactions by high-valent nonheme iron centers

1 reference

12 December 2020

The road to non-heme oxoferryls and beyond

1 reference

12 December 2020

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

1 reference

12 December 2020

Spin surface crossing in chromium-mediated olefin epoxidation with O(2).

1 reference

12 December 2020

The rebound mechanism in catalytic C-H oxidation by MnO(tpp)Cl from DFT studies: electronic nature of the active species

1 reference

12 December 2020

Chromium-salen-mediated alkene epoxidation: a theoretical and experimental study indicates the importance of spin-surface crossing and the presence of a discrete intermediate

1 reference

12 December 2020

Steric hindrance effect of the equatorial ligand on Fe(IV)O and Ru(IV)O complexes: a density functional study.

1 reference

12 December 2020

Analysis of Reaction Channels for Alkane Hydroxylation by Nonheme Iron(IV)-Oxo Complexes

1 reference

12 December 2020

Two states and two more in the mechanisms of hydroxylation and epoxidation by cytochrome P450.

1 reference

12 December 2020

Synthesis, characterization, and reactivities of manganese(V)-oxo porphyrin complexes

1 reference

12 December 2020

Non-heme Fe(IV)-oxo intermediates

1 reference

12 December 2020

Theoretical investigation of C--H hydroxylation by (N4Py)Fe(IV)=O(2+): an oxidant more powerful than P450?

1 reference

12 December 2020

What singles out the FeO2+ moiety? A density-functional theory study of the methane-to-methanol reaction catalyzed by the first row transition-metal oxide dications MO(H2O)(p)2+, M = V-Cu

1 reference

12 December 2020

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

1 reference

12 December 2020

C-H bond activation in transition metal species from a computational perspective

1 reference

12 December 2020

Propene activation by the oxo-iron active species of taurine/alpha-ketoglutarate dioxygenase (TauD) enzyme. How does the catalysis compare to heme-enzymes?

1 reference

12 December 2020

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

1 reference

12 December 2020

Redox potential and C-H bond cleaving properties of a nonheme Fe(IV)=O complex in aqueous solution.

1 reference

12 December 2020

What factors influence the ratio of C-H hydroxylation versus C=C epoxidation by a nonheme cytochrome P450 biomimetic?

1 reference

12 December 2020

Theoretical predictions of a highly reactive non-heme Fe(IV)=O complex with a high-spin ground state.

1 reference

12 December 2020

Spectroscopic and quantum chemical studies on low-spin FeIV=O complexes: Fe-O bonding and its contributions to reactivity

1 reference

12 December 2020

A Molecular Orbital Theory of Reactivity in Aromatic Hydrocarbons

1 reference

Crossref

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7 January 2021

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Insertion of Sc+ into H2: The First Example of Cluster-Mediated .sigma.-Bond Activation by a Transition Metal Center

1 reference

Crossref

https://api.crossref.org/works/10.1038%2FNCHEM.943

7 January 2021

inferred from DOI database lookup

Multiple Low-Lying States for Compound I of P450cam and Chloroperoxidase Revealed from Multireference Ab Initio QM/MM Calculations

1 reference

Crossref

https://api.crossref.org/works/10.1038%2FNCHEM.943

7 January 2021