A Thioether-Ligated Cupric Superoxide Model with Hydrogen Atom Abstraction Reactivity. [PDF]
J Am Chem Soc, 2021 The central role of cupric superoxide intermediates proposed in hormone and neurotransmitter biosynthesis by noncoupled binuclear copper monooxygenases like dopamine-β-monooxygenase has drawn significant attention to the unusual methionine ligation of ...
Mayukh Bhadra +14 more
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Nuclear Resonance Vibrational Spectroscopic Definition of the Facial Triad FeIV═O Intermediate in Taurine Dioxygenase: Evaluation of Structural Contributions to Hydrogen Atom Abstraction. [PDF]
J Am Chem Soc, 2020 The α-ketoglutarate (αKG)-dependent oxygenases catalyze a diverse range of chemical reactions using a common high-spin FeIV═O intermediate that, in most reactions, abstract a hydrogen atom from the substrate.
Martin Srnec +13 more
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Beyond the classical thermodynamic contributions to hydrogen atom abstraction reactivity [PDF]
Proc Natl Acad Sci U S A, 2018 Significance Hydrogen atom abstraction reactivity is a key property of many important biological and synthetic compounds that depends on their proton-coupled reduction potentials.
Daniel Bím +3 more
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Chemical Kinetics of Hydrogen Atom Abstraction from Propargyl Sites by Hydrogen and Hydroxy Radicals [PDF]
Int J Mol Sci, 2019 Hydrogen atom abstraction from propargyl C-H sites of alkynes plays a critical role in determining the reactivity of alkyne molecules and understanding the formation of soot precursors.
Quan‐De Wang +3 more
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A Nonheme Thiolate-Ligated Cobalt Superoxo Complex: Synthesis and Spectroscopic Characterization, Computational Studies, and Hydrogen Atom Abstraction Reactivity. [PDF]
J Am Chem Soc, 2019 The synthesis and characterization of a Co(II) dithiolato complex Co(Me3TACN)(S2SiMe2) (1) are reported. Reaction of 1 with O2 generates a rare thiolate-ligated cobalt-superoxo species Co(O2)(Me3TACN)(S2SiMe2) (2) that was characterized spectroscopically
Jesse B. Gordon +5 more
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Fast Hydrogen Atom Abstraction by a Hydroxo Iron(III) Porphyrazine. [PDF]
J Am Chem Soc, 2017 A reactive hydroxoferric porphyrazine complex, [(PyPz)FeIII(OH) (OH2)]4+ (1, PyPz = tetramethyl-2,3-pyridino porphyrazine), has been prepared via one-electron oxidation of the corresponding ferrous species [(PyPz)FeII(OH2)2]4+ (2).
Hongxin Gao, J. Groves
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Hydrogen Atom Abstraction from Hydrocarbons by a Copper(III)-Hydroxide Complex [PDF]
J Am Chem Soc, 2015 With the aim of understanding the basis for the high rate of hydrogen atom abstraction (HAT) from dihydroanthracene (DHA) by the complex LCuOH (1; L = N,N′-bis(2,6-diisopropylphenyl)-2,6-pyridinedicarboxamide), the bond dissociation enthalpy of the ...
Debanjan Dhar, W. Tolman
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Mechanistic Studies of the Radical S-Adenosyl-L-methionine Enzyme 4-Demethylwyosine Synthase Reveal the Site of Hydrogen Atom Abstraction. [PDF]
Biochemistry, 2015 TYW1 catalyzes the formation of 4-demethylwyosine via the condensation of N-methylguanosine (m¹G) with carbons 2 and 3 of pyruvate. In this study, labeled transfer ribonucleic acid (tRNA) and pyruvate were utilized to determine the site of hydrogen atom ...
A. Young, V. Bandarian
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Establishing Thermodynamic Graphs of Nitrogenous Radical Cations Abstracting Hydrogen Atoms and Their Applications in Photoredox Reactions [PDF]
MoleculesNitrogenous compounds have been extensively utilized as hydrogen atom transfer (HAT) catalysts in photoredox reactions, with nitrogenous radical cations being the actual hydrogen atom abstractors. Building upon our previous work, 120 thermodynamic graphs
Xia Zhao +6 more
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Mechanistic insights and atmospheric implications of the degradation reaction of 3-methoxy-1-propanol by reaction with hydroxyl radicals and identification of the end products in the presence of O2/NO [PDF]
Scientific ReportsThe study investigated the degradation of 3-methoxy-1-propanol (3M1P) by OH• using the M06-2X/6-311++G(d, p) level, with CCSD(T) single-point corrections. We focused on hydrogen atom abstraction from various alkyl groups within the molecule.
Abolfazl Shiroudi +2 more
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