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Mechanisms of Damage to DNA Labeled with Electrophilic Nucleobases Induced by Ionizing or UV Radiation.
Hypoxia--a hallmark of solid tumors--makes hypoxic cells radioresistant. On the other hand, DNA, the main target of anticancer therapy, is not sensitive to the near UV photons and hydrated electrons,Expand
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How to Find Out Whether a 5‑Substituted Uracil Could Be a Potential DNA Radiosensitizer
Incorporated into genomic DNA, 5-substituted uracils could be employed in human cancer radiotherapy if they could be sensitized to dissociate upon reaction with hydrated electrons. Using theExpand
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Electron-induced elimination of the bromide anion from brominated nucleobases. A computational study.
The enhancement of radiodamage to DNA labeled with halonucleobases is attributed to the reactive radical produced from a halonucleobase by the attachment of an electron. We examined at theExpand
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A first-principles study of electron attachment to the fully hydrated bromonucleobases
Degradation mechanism of four brominated nucleobases (BrX), potential DNA radiosensitizers, is studied in explicit water solution, using ab initio molecular dynamics. Several fs long dynamics isExpand
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Electron-induced degradation of 8-bromo-2'-deoxyadenosine 3',5'-diphosphate, a DNA radiosensitizing nucleotide.
The phosphodiester bond cleavage in 8-bromo-2'-deoxyadenosine 3',5'-diphosphate (BrdADP), as a model of electron induced single strand break (SSB) in labeled DNA, was investigated at theExpand
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Electron induced single strand break and cyclization: a DFT study on the radiosensitization mechanism of the nucleotide of 8-bromoguanine.
Cleavage of the O-P bond in 8-bromo-2'-deoxyguanosine-3',5'-diphosphate (BrdGDP), considered as a model of single strand break (SSB) in labelled double-stranded DNA (ds DNA), is investigated at theExpand
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Valence anions of N-acetylproline in the gas phase: computational and anion photoelectron spectroscopic studies.
We report the photoelectron spectrum of anionic N-acetylproline, (N-AcPro)(-), measured with 3.49 eV photons. This spectrum, which consists of a band centered at an electron binding energy of 1.4 eVExpand
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Electron-induced single strand break in the nucleotide of 5- and 6-bromouridine. A DFT study
Abstract We studied electron-induced O–P bond breakage in 5- and 6-bromo-2′-deoxyuridine 3′,5′-diphosphates at the B3LYP/6-31++G** level of theory. Electron attachment to the 6-bromo derivativeExpand
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Reactivity of damaged pyrimidines: formation of a Schiff base intermediate at the glycosidic bond of saturated dihydrouridine.
DNA glycosylases catalyze the first step of the base excision repair (BER) pathway. The chemistry used by these enzymes for deglycosylation has been largely considered as the chemistry of theExpand
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Synthesis, redox properties, and basicity of substituted 1-aminoanthraquinones: spectroscopic, electrochemical, and computational studies in acetonitrile solutions
Abstract1-Amino-, 1-ethylamino-, and 1-(diethylamino)-anthraquinone were characterized by UV–Vis spectroscopy, acid–base titration, electrochemical methods, and quantum-chemical (QM) calculations atExpand
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