Cross-section calculations for positron scattering from pyrimidine over an energy range from 0.1 to 10000 eV

Sanz, A.; Fuß, Martina; Blanco, F.; Mašín, Zdeněk; Gorfinkiel, Jimena D.; McEachran, R P; Brunger, M. J.; García, Gustavo

doi:10.1103/physreva.88.062704

Cited by 29 publications

(44 citation statements)

References 85 publications

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“…These results can then be incorporated into our IAM SCAR calculation in an incoherent way, just by adding up the cross sections as independent channels. The complete approach has already been described in detail [58] and proved to be quite successful when applied to some polar molecules [30,68].…”

Section: Theoretical Calculationsmentioning

confidence: 99%

“…The IAM SCAR method developed by Blanco and Garcia [54] has been recently employed to calculate the cross sections for electron (see, for instance, [55][56][57]) and positron (see, e.g., [27,30,58,59]) scattering from a variety of large polyatomic molecules and over an extensive energy range, typically from 1 to 1000 eV. Hence, we only briefly reiterate the salient features of that approach here.…”

Section: Theoretical Calculationsmentioning

confidence: 99%

“…However, the situation with respect to positron scattering is somewhat poorer, with only a limited number of measurements [20,[25][26][27] and calculations [27][28][29][30] being available. In particular, we note that both the experimental and theoretical effort was largely dedicated to the investigation of the pyrimidine bases, such as pyrimidine itself [20,26,30] and uracil [25,27]. Indeed, there is only one computation for positron impact with the purine bases [29], namely, adenine and guanine, and no measurements to validate that calculation.…”

Section: Introductionmentioning

confidence: 99%

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Cross sections for positron and electron collisions with an analog of the purine nucleobases: Indole

et al. 2015

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Quantitative information about positron and electron collisions with nucleobases is required in charged-particle track simulations to accurately model and assess any radiation damage at the subcellular level in biological systems. However, scattering experiments have so far been restricted to the pyrimidine nucleobases. In this paper we report on total-cross-section measurements for positron impact on indole, a parent molecule of the purine nucleobases, at impact energies between 1 and 25 eV. We also present theoretical cross sections for elastic and total scattering, positronium formation, electronic excitations, and direct ionization between 1 and 500 eV, as calculated with the independent-atom model with the screening-corrected additivity rule. Rotational excitation cross sections are additionally calculated within a Born framework over that same energy range. A significant discrepancy is found between the measured and computed total cross sections, which cannot be entirely accounted for by the lack of forward-angle-scattering discrimination in the experiment. The present results are also compared to the available theoretical cross sections for the purine nucleobases. In addition, total cross sections for electron-indole collisions computed within our theoretical formalism are provided.

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Section: Theoretical Calculationsmentioning

confidence: 99%

Section: Theoretical Calculationsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Cross sections for positron and electron collisions with an analog of the purine nucleobases: Indole

et al. 2015

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“…These results can then be incorporated into our IAM-SCAR calculation in an incoherent way, just by adding up the cross sections as independent channels. The complete approach has already been described in detail (Chiari et al, 2014b) and proved to be quite successful when applied to some polar molecules (see, e.g., Sanz et al, 2013b andChiari et al, 2013b).…”

Section: Theory and Computational Detailsmentioning

confidence: 99%

“…The IAM-SCAR method was developed by Blanco and García (2009) and has been recently applied to numerous calculations of electron (see, e.g., Chiari et al, 2013a;2014a;and Sieradzka et al, 2014) and positron (e.g., Sanz et al, 2013b;Anderson et al, 2014;and Chiari et al, 2015) scattering cross sections from a variety of large polyatomic molecules and over an extensive impact energy range, typically from 1 to 1000 eV. Therefore, here we only briefly summarize the prominent aspects of this approach.…”

Section: Theory and Computational Detailsmentioning

confidence: 99%

Experimental and theoretical cross sections for positron scattering from the pentane isomers

Chiari

Zecca

Blanco

et al. 2016

The Journal of Chemical Physics

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Isomerism is ubiquitous in chemistry, physics, and biology. In atomic and molecular physics, in particular, isomer effects are well known in electron-impact phenomena; however, very little is known for positron collisions. Here we report on a set of experimental and theoretical cross sections for low-energy positron scattering from the three structural isomers of pentane: normal-pentane, isopentane, and neopentane. Total cross sections for positron scattering from normal-pentane and isopentane were measured at the University of Trento at incident energies between 0.1 and 50 eV. Calculations of the total cross sections, integral cross sections for elastic scattering, positronium formation, and electronic excitations plus direct ionization, as well as elastic differential cross sections were computed for all three isomers between 1 and 1000 eV using the independent atom model with screening corrected additivity rule. No definitive evidence of a significant isomer effect in positron scattering from the pentane isomers appears to be present.

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Simulation of positron and electron elastic mean free path and diffusion angle on DNA nucleobases from 10 eV to 100 keV

Aouina

Chaoui

2018

Surface & Interface Analysis

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Funding informationDirection generale des enseignements et de la formation superieur, Grant/Award Number: CNEPRU ,project CNEPRU D01220140090 Positron and electron interaction collisions in living cells are efficiently simulated by Monte Carlo (MC) codes where huge data tables are needed. Present study provides detailed results of charged particles elastic interactions needed in MC on DNA nucleobases (adenine, thymine, cytosine and guanine, deoxyribose, and phosphoric acid). Indeed, electron and positron elastic cross sections, elastic mean free paths, and elastic angular distributions P(θ) are calculated from 10 eV to 100 keV using a corrected form of the independent atom method taking into account the geometry of the biomolecule. Our calculated results are compared with theoretical data available in the literature in absence of experimental data, in particular for positron. Moreover, our numerical results are presented in analytic format modeled to be used for fast sampling in the MC simulation of elastic collisions; particularly, we provide a useful analytic expression for sampling the elastic diffusion angle. For positron collisions on adenine, the relative error between numerical and analytic elastic diffusion angles is not exceeding 2% in the energy full range 10 eV to 100 keV. KEYWORDS angular distribution for elastic collision in DNA nucleobases, charged particles interaction with DNA nucleobases, cross section for Monte Carlo simulations, e − and e + ECS and EMFP from DNA nucleobases, fast sampling in elastic collisions

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Cross-section calculations for positron scattering from pyrimidine over an energy range from 0.1 to 10000 eV

Cited by 29 publications

References 85 publications

Cross sections for positron and electron collisions with an analog of the purine nucleobases: Indole

Cross sections for positron and electron collisions with an analog of the purine nucleobases: Indole

Experimental and theoretical cross sections for positron scattering from the pentane isomers

Simulation of positron and electron elastic mean free path and diffusion angle on DNA nucleobases from 10 eV to 100 keV

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