Hydrogen Atom Abstraction and Reduction Study of 21-Thiaporphyrin and 21,23-Dithiaporphyrin [PDF]
MoleculesThe metal-free porphyrins protonation has gained interest over five decades because its structure modification and hardly monoacid intermediate isolation.
Xiao-Rui Ren +6 more
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DFT Investigation of Hydrogen Atom Abstraction from NHC-Boranes by Methyl, Ethyl and Cyanomethyl Radicals—Composition and Correlation Analysis of Kinetic Barriers [PDF]
Molecules, 2020 Understanding the hydrogen atom abstraction (HAA) reactions of N-heterocyclic carbene (NHC)-boranes is essential for extending the practical applications of boron chemistry.
Hong-jie Qu +4 more
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Rapid RNA strand scission following C2'-hydrogen atom abstraction. [PDF]
J Am Chem Soc, 2015 C2'-Nucleotide radicals have been proposed as key intermediates in direct strand break formation in RNA exposed to ionizing radiation. Uridin-2'-yl radical (1) was independently generated in single- and double-stranded RNA via photolysis of a ketone precursor.
Paul R, Greenberg MM.
europepmc +6 more sources
DNA double strand cleavage via interstrand hydrogen atom abstraction. [PDF]
J Am Chem Soc, 2013 Double strand breaks (DSBs) are the most deleterious form of DNA damage. Natural products that produce them are potent cytotoxic agents. Designing molecules that produce DSBs via a single chemical event is challenging. We determined that formation of a C4'-nucleotide radical in duplex DNA under aerobic conditions gives rise to a DSB.
Taverna Porro ML, Greenberg MM.
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Molecular Design of H2 Storage/Release Devices: A Direct Ab Initio MD Study [PDF]
NanomaterialsTo advance a hydrogen-based energy society, the development of efficient hydrogen storage materials is essential. In particular, such materials are expected to be lightweight and chemically stable.
Hiroto Tachikawa
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A Thioether-Ligated Cupric Superoxide Model with Hydrogen Atom Abstraction Reactivity. [PDF]
J Am Chem Soc, 2021 Bhadra M +14 more
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Anharmonic effect in the hydrogen atom abstraction reaction kinetics of amino radicals and methanol
Applications in Energy and Combustion ScienceThe combustion of the ammonia/methanol blends has attracted much attention due to the potential to reduce carbon emissions. Some previous research had pointed out the importance of involving cross-reactions in the combustion simulation of the ammonia ...
Peng Guo, Xuefei Xu
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Role of Microsolvation and Quantum Effects in the Accurate Prediction of Kinetic Isotope Effects: The Case of Hydrogen Atom Abstraction in Ethanol by Atomic Hydrogen in Aqueous Solution. [PDF]
J Chem Theory Comput, 2020 Kannath S +5 more
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Catalytic Ammonia Oxidation to Dinitrogen by Hydrogen Atom Abstraction
Angewandte Chemie International Edition, 2019 AbstractCatalysts for the oxidation of NH3 are critical for the utilization of NH3 as a large‐scale energy carrier. Molecular catalysts capable of oxidizing NH3 to N2 are rare. This report describes the use of [Cp*Ru(PtBu2NPh2)(15NH3)][BArF4], (PtBu2NPh2=1,5‐di(phenylaza)‐3,7‐di(tert‐butylphospha)cyclooctane; ArF=3,5‐(CF3)2C6H3), to catalytically ...
Papri Bhattacharya +5 more
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Visible Light-Mediated Dearomative Hydrogen Atom Abstraction/ Cyclization Cascade of Indoles. [PDF]
Angew Chem Int Ed Engl, 2022 Xiong Y, Großkopf J, Jandl C, Bach T.
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