VUV photophysics and dissociative photoionization of pyrimidine, purine, imidazole and benzimidazole in the 7–18eV photon energy range

Schwell, Martin; Jochims, H.‐W.; Baumgärtel, H.; Leach, Sydney

doi:10.1016/j.chemphys.2008.08.009

Cited by 57 publications

(87 citation statements)

References 101 publications

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“…Ionization-induced fragmentation of different biomolecules has been studied quite extensively using various techniques: ion-and electron bombardment, [2][3][4][5][6] electrospray ionization, 7,8 and photoionization [9][10][11] to name few. Gas phase studies have mostly concentrated on small free molecules, due to the difficulties in introducing larger molecules into the gas phase intact.…”

Section: Introductionmentioning

confidence: 99%

Gas-phase study on uridine: Conformation and X-ray photofragmentation

Itälä

Kooser

Rachlew

et al. 2015

The Journal of Chemical Physics

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Fragmentation of RNA nucleoside uridine, induced by carbon 1s core ionization, has been studied. The measurements by combined electron and ion spectroscopy have been performed in gas phase utilizing synchrotron radiation. As uridine is a combination of d-ribose and uracil, which have been studied earlier with the same method, this study also considers the effect of chemical environment and the relevant functional groups. Furthermore, since in core ionization the initial core hole is always highly localized, charge migration prior to fragmentation has been studied here. This study also demonstrates the destructive nature of core ionization as in most cases the C 1s ionization of uridine leads to concerted explosions producing only small fragments with masses ≤43 amu. In addition to fragmentation patterns, we found out that upon evaporation the sugar part of the uridine molecule attains hexagonal form. C 2015 AIP Publishing LLC. [http://dx

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Section: Introductionmentioning

confidence: 99%

Gas-phase study on uridine: Conformation and X-ray photofragmentation

Itälä

Kooser

Rachlew

et al. 2015

The Journal of Chemical Physics

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“…Extensive experimental efforts [5][6][7][8][9][10][11] have been made since the 1970's to measure the photoelectron properties of DNA and RNA bases. Meanwhile, theoretical calculations on their ionization potentials and electron affinities have been carried out using density-functional theory (DFT) and high-level quantum chemistry methods 8,10,[12][13][14][15] .…”

mentioning

confidence: 99%

Photoelectron properties of DNA and RNA bases from many-body perturbation theory

2011

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The photoelectron properties of DNA and RNA bases are studied using many-body perturbation theory within the GW approximation, together with a recently developed Lanczos-chain approach. Calculated vertical ionization potentials, electron affinities, and total density of states are in good agreement with experimental values and photoemission spectra. Convergence benchmark demonstrates the importance of using an optimal polarizability basis in the GW calculations. A detailed analysis of the role of exchange and correlation in both many-body and density-functional theory calculations shows that while self-energy corrections are strongly orbital-dependent, they nevertheless remain almost constant for states that share the same bonding character. Finally, we report on the inverse lifetimes of DNA and RNA bases, that are found to depend linearly on quasi-particle energies for all deep valence states. In general, our G0W0-Lanczos approach provides an efficient yet accurate and fully-converged description of quasiparticle properties of five DNA and RNA bases.

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“…The loss of HCN moieties, which is thermodynamic stable, was reported to be a general feature in fragmentation processes of nitrogen heterocycles [37,42]. Mass 54 amu is assigned to the HCN fragment including the 13 C or 15 N isotope.…”

Section: Pyrimidinementioning

confidence: 99%

Ion induced fragmentation cross-sections of DNA constituents

et al. 2015

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Abstract. Proton collision with chemical analogs for the base, the sugar and the phosphor residue of the DNA, namely pyrimidine, tetrahydrofuran and trimethyl phosphate, respectively, has been investigated. The impact energies ranged from 300 keV up to 16 MeV. For the first time, relative fragmentation crosssections for proton impact are reported for tetrahydrofuran and trimethyl phosphate; previously reported cross sections for pyrimidine are extended for energies beyond 2500 keV. Ionization of tetrahydrofuran leads to a ring break in about 80% of all events, trimethyl phosphate predominantly fragments by bond cleavage to one of the three methyl-groups and for pyrimidine the parent ion has the highest abundance. Such comparison supports earlier findings that the sugar is the weak spot for strand breaks.

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VUV photophysics and dissociative photoionization of pyrimidine, purine, imidazole and benzimidazole in the 7–18eV photon energy range

Cited by 57 publications

References 101 publications

Gas-phase study on uridine: Conformation and X-ray photofragmentation

Gas-phase study on uridine: Conformation and X-ray photofragmentation

Photoelectron properties of DNA and RNA bases from many-body perturbation theory

Ion induced fragmentation cross-sections of DNA constituents

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