Cross sections for ionization of tetrahydrofuran by protons at energies between 300 and 3000 keV

Wang, Mingjie; Rudek, Benedikt; Bennett, Daniel; Vera, Pablo de; Bug, Marion U.; Buhr, T.; Baek, Woon Yong; Hilgers, G.; Rabus, Hans

doi:10.1103/physreva.93.052711

Cited by 9 publications

(13 citation statements)

References 53 publications

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“…6b. The experimental data for ionization of adenine [15], uracil [19], pyrimidine [23], and THF [25] by proton impact in Fig. 6b seems to corroborate the new scaling.…”

Section: Cdw-based Scalingsupporting

confidence: 68%

“…The comparison with the experimental data available shows . Experiments: proton impact on ○ adenine [15], △ uracil [19], ▽ pyrimidine [23] and THF [25]; electron impact on ⊳ pyrimidine [24], and ⊲, [26,27] THF. C2H7N, CH5N, methane and ammonia [28], ☀ ammonia and H2 [29], and • water [30].…”

Section: Cdw-based Scalingmentioning

confidence: 99%

“…Reduced CDW ionization cross section by the impact of multicharged ions. Experiments: proton impact on △ uracil[19], ▽ pyrimidine[23] and THF[25]. Impact of ⊖ C 4+ , ⊕ C 6+ , O 6+ , F 6+ , and ⊗ O 8+ , F 8+ on uracil[20,21].…”

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confidence: 99%

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Ionization of biological molecules by multicharged ions using the stoichiometric model

Mendez

Montanari

Miraglia

2020

J. Phys. B: At. Mol. Opt. Phys.

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In the present work, we investigate the ionization of molecules of biological interest by the impact of multicharged ions in the intermediate to high energy range. We performed full non-perturbative distorted-wave calculations (CDW) for thirty-six collisional systems composed by six atomic targets: H, C, N, O, F and S -which are the constituents of most of the DNA and biological molecules-and six charged projectiles (antiprotons, H, He, B, C, and O). On account of the radiation damage caused by secondary electrons, we inspect the energy and angular distributions of the emitted electrons from the atomic targets. We examine seventeen molecules: DNA and RNA bases, DNA backbone, pyrimidines, tetrahydrofuran (THF), and CnHn compounds. We show that the simple stoichiometric model (SSM), which approximates the molecular ionization cross sections as a linear combination of the atomic ones, gives reasonably good results for complex molecules. We also inspect the extensively used Toburen scaling of the total ionization cross sections of molecules with the number of weakly bound electrons. Based on the atomic CDW results, we propose new active electron numbers, which improves significantly scaling for all the targets and ions studied here in the intermediate to the high energy region. The new scaling describes well the available experimental data for proton impact, including small molecules. We perform full molecular calculations for five nucleobases and test a modified stoichiometric formula based on the Mulliken charge of the composite atoms. The difference introduced by the new stoichiometric formula is less than 3%, which indicates the reliability of the SSM to deal with this type of molecules. The results of the extensive ion-target examination included in the present study allow us to assert that the SSM and the CDW-based scaling will be useful tools in this area.

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“…6b. The experimental data for ionization of adenine [15], uracil [19], pyrimidine [23], and THF [25] by proton impact in Fig. 6b seems to corroborate the new scaling.…”

Section: Cdw-based Scalingsupporting

confidence: 68%

Section: Cdw-based Scalingmentioning

confidence: 99%

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Ionization of biological molecules by multicharged ions using the stoichiometric model

Mendez

Montanari

Miraglia

2020

J. Phys. B: At. Mol. Opt. Phys.

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“…Such rules, which are closely related to the Bragg's additivity rule, 85 have been shown useful for analysing and compiling electron and ion cross-sections for biomolecules. 16,86 However, recently it has been pointed out that the number of valence electrons may not be the proper quantity for scaling the TICS, 59 which instead should be better scaled as a function of the ''effective'' number of molecular electrons. Effective electrons were empirically defined in ref.…”

Section: Scaling Rules For the Total Cross Sectionsmentioning

confidence: 99%

Excitation and ionisation cross-sections in condensed-phase biomaterials by electrons down to very low energy: application to liquid water and genetic building blocks

Vera

Abril

García-Molina

2021

Phys. Chem. Chem. Phys.

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“…for biomolecules [17,88]. However, recently it has been pointed out that the number of valence electrons may not be the proper quantity for scaling the TICS [61], which instead should be better scaled as a function of the effective number of molecular electrons (i.e., those participating in the ionising collision).…”

Section: Resultsmentioning

confidence: 99%

Excitation and ionisation cross-sections in condensed-phase biomaterials by electrons down to very low energy: application to liquid water and genetic building blocks

de Vera,

Abril,

Garcia-Molina

2020

Preprint

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Electronic excitations and ionisations produced by electron impact are key processes in the radiation-induced damage mechanisms in materials of biological relevance, underlying important medical and technological applications, including radiotherapy, radiation protection in manned space missions and nanodevice fabrication techniques. However, experimentally measuring all the necessary electronic interaction cross-sections for every relevant material is an arduous task, so it is necessary having predictive models, sufficiently accurate yet easily implementable. In this work we present a model, based on the dielectric formalism, to provide reliable ionisation and excitation cross-sections for electron-impact on complex biomolecular media, taking into account their condensed-phase nature. We account for the indistinguishability and exchange between the primary beam and excited electrons, for the molecular electronic structure effects in the electron binding, as well as for higher-order corrections to the first Born approximation. The resulting approach yields total ionisation cross-sections, energy distributions of secondary electrons, and total electronic excitation cross-sections for condensed-phase biomaterials, once the electronic excitation spectrum is known, either from experiments or from a predictive model. The results of this methodology are compared with the available experimental data in water and DNA/RNA molecular building blocks, showing a very good agreement and a great predictive power in a wide range of electron incident energies, from the large values characteristic of electron beams down to excitation threshold. The proposed model constitutes a very useful procedure for computing the electronic interaction crosssections for arbitrary biological materials in a wide range of electron incident energies.

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Cross sections for ionization of tetrahydrofuran by protons at energies between 300 and 3000 keV

Cited by 9 publications

References 53 publications

Ionization of biological molecules by multicharged ions using the stoichiometric model

Ionization of biological molecules by multicharged ions using the stoichiometric model

Excitation and ionisation cross-sections in condensed-phase biomaterials by electrons down to very low energy: application to liquid water and genetic building blocks

Excitation and ionisation cross-sections in condensed-phase biomaterials by electrons down to very low energy: application to liquid water and genetic building blocks

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