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Statements

Subject Item
n2:RIV%2F61388963%3A_____%2F14%3A00437492%21RIV15-GA0-61388963
rdf:type
n14:Vysledek skos:Concept
dcterms:description
8-Oxoguanine is one of the key products of indirect radiation damage to DNA by reactive oxygen species. Here, we describe ionization of this damaged nucleobase and the corresponding nucleoside and nucleotide in aqueous phase, modeled by the nonequilibrium polarizable continuum model, establishing their lowest vertical ionization energies of 6.8-7.0 eV. We thus confirm that 8-oxoguanine has even lower ionization energy than the parental guanine, which is the canonical nucleobase with the lowest ionization energy. Therefore, it can act as a trap for the cationic hole formed by ionizing radiation and thus protect DNA from further radiation damage. We also model using time-dependent density functional theory and measure by liquid jet photoelectron spectroscopy the valence photoelectron spectrum of 8-oxoguanine in water. We show that the calculated higher lying ionization states match well the experiment which, however, is not sensitive enough to capture the electron signal corresponding to the lowest ionization process due to the low solubility of 8-oxoguanine in water. 8-Oxoguanine is one of the key products of indirect radiation damage to DNA by reactive oxygen species. Here, we describe ionization of this damaged nucleobase and the corresponding nucleoside and nucleotide in aqueous phase, modeled by the nonequilibrium polarizable continuum model, establishing their lowest vertical ionization energies of 6.8-7.0 eV. We thus confirm that 8-oxoguanine has even lower ionization energy than the parental guanine, which is the canonical nucleobase with the lowest ionization energy. Therefore, it can act as a trap for the cationic hole formed by ionizing radiation and thus protect DNA from further radiation damage. We also model using time-dependent density functional theory and measure by liquid jet photoelectron spectroscopy the valence photoelectron spectrum of 8-oxoguanine in water. We show that the calculated higher lying ionization states match well the experiment which, however, is not sensitive enough to capture the electron signal corresponding to the lowest ionization process due to the low solubility of 8-oxoguanine in water.
dcterms:title
DNA lesion can facilitate base ionization: vertical ionization energies of aqueous 8-oxoguanine and its nucleoside and nucleotide DNA lesion can facilitate base ionization: vertical ionization energies of aqueous 8-oxoguanine and its nucleoside and nucleotide
skos:prefLabel
DNA lesion can facilitate base ionization: vertical ionization energies of aqueous 8-oxoguanine and its nucleoside and nucleotide DNA lesion can facilitate base ionization: vertical ionization energies of aqueous 8-oxoguanine and its nucleoside and nucleotide
skos:notation
RIV/61388963:_____/14:00437492!RIV15-GA0-61388963
n3:aktivita
n13:P n13:I
n3:aktivity
I, P(GBP208/12/G016)
n3:cisloPeriodika
48
n3:dodaniDat
n11:2015
n3:domaciTvurceVysledku
n4:2135078 n4:2793911 n4:5127750
n3:druhVysledku
n15:J
n3:duvernostUdaju
n5:S
n3:entitaPredkladatele
n18:predkladatel
n3:idSjednocenehoVysledku
11998
n3:idVysledku
RIV/61388963:_____/14:00437492
n3:jazykVysledku
n17:eng
n3:klicovaSlova
8-oxoguanine; aqueous solution; ionization; ab initio calculations; photoelectron spectroscopy
n3:klicoveSlovo
n8:aqueous%20solution n8:photoelectron%20spectroscopy n8:ionization n8:ab%20initio%20calculations n8:8-oxoguanine
n3:kodStatuVydavatele
US - Spojené státy americké
n3:kontrolniKodProRIV
[85BD4BE16AF2]
n3:nazevZdroje
Journal of Physical Chemistry B
n3:obor
n16:CF
n3:pocetDomacichTvurcuVysledku
3
n3:pocetTvurcuVysledku
5
n3:projekt
n6:GBP208%2F12%2FG016
n3:rokUplatneniVysledku
n11:2014
n3:svazekPeriodika
118
n3:tvurceVysledku
Jungwirth, Pavel Unger, I. Winter, B. Palivec, Vladimír Pluhařová, Eva
n3:wos
000345891500006
s:issn
1520-6106
s:numberOfPages
5
n10:doi
10.1021/jp5111086