ArticleCurrent opinion in chemical biology2009
Quantum chemical studies of C-H activation reactions by high-valent nonheme iron centers.
Article in Current opinion in chemical biology, 2009. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 27 papers.
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Who cites it
27 citing papers in PubMed, 127 citations in OpenAlex.
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- 10-Fold Increase in Hydrogen Atom Transfer Reactivity for a Series ofJournal of the American Chemical Society · 2025Article
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- The Unique Role of the Second Coordination Sphere to Unlock and Control Catalysis in Nonheme Fe(II)/2-Oxoglutarate Histone Demethylase KDM2A.Inorganic chemistry · 2024Article
- Spectroscopic and computational studies of a bifunctional iron- and 2-oxoglutarate dependent enzyme, AsqJ.Methods in enzymology · 2024Article
- Synergistic Binding of the Halide and Cationic Prime Substrate of l-Lysine 4-Chlorinase, BesD, in Both Ferrous and Ferryl States.Biochemistry · 2023Article
- Synergistic Binding of the Halide and Cationic Prime Substrate of the l-Lysine 4-Chlorinase, BesD, in Both Ferrous and Ferryl States.bioRxiv : the preprint server for biology · 2023Article
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- Non-Heme-Iron-Mediated Selective Halogenation of Unactivated Carbon-Hydrogen Bonds.Chemistry (Weinheim an der Bergstrasse, Germany) · 2022Article
- Unmasking Steps in Intramolecular Aromatic Hydroxylation by a Synthetic Nonheme Oxoiron(IV) Complex.Angewandte Chemie (International ed. in English) · 2021Article
- Catalysis by the Non-Heme Iron(II) Histone Demethylase PHF8 Involves Iron Center Rearrangement and Conformational Modulation of Substrate Orientation.ACS catalysis · 2020Article
- Chemoselectivity in the Oxidation of Cycloalkenes with a Non-Heme Iron(IV)-Oxo-Chloride Complex: Epoxidation vs. Hydroxylation Selectivity.Journal of the American Society for Mass Spectrometry · 2019Article
- Reduction of COChemical science · 2019Article
- How to tame a palladium terminal oxo.Chemical science · 2018Article
- High-Spin Iron Imido Complexes Competent for C-H Bond Amination.Journal of the American Chemical Society · 2017Article
- VTST/MT studies of the catalytic mechanism of C-H activation by transition metal complexes with [CuJournal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry · 2017Review
- Applications of density functional theory to iron-containing molecules of bioinorganic interest.Frontiers in chemistry · 2014Review
- Do Spin State and Spin Density Affect Hydrogen Atom Transfer Reactivity?Chemical science · 2014Article
- High-Valent Nonheme Iron Oxidants in Biology: Lessons from Synthetic FeBulletin of Japan Society of Coordination Chemistry · 2013Article
- Measuring 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.The journal of physical chemistry. B · 2013Article
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2 authors at 1 institution in 1 country.
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No grant is acknowledged in the PubMed record.
Abstract
Activation of unactivated C-H bonds is an important process in nature and organic synthesis. Nature employs a wide range of metalloproteins to efficiently catalyze such reactions. Quantum chemistry can be used to explore the reactivity of such systems. Atomic level insight into the catalytic mechanisms can be gained through the calculation of reaction energies, barriers, isotope effects, and-where available-spectroscopic properties. This approach is illustrated for the case of the H-atom abstraction reaction performed by the quintet iron(IV)-oxo intermediate in the nonheme iron enzyme taurine-alpha-ketoglutarate dioxygenase (TauD). The careful analysis of the electronic structure of the reactant, transition state, and product indicates that the reaction involves a preparatory step in which an iron(III)-oxyl species is produced that is the active species in the actual C-H bond activation process.
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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.