Total cross sections for ionizing processes induced by proton impact on molecules of biological interest: A classical trajectory Monte Carlo approach

Lekadir, H.; Abbas, I.; Champion, C.; Hanssen, J.

doi:10.1016/j.nimb.2009.02.044

Cited by 27 publications

(22 citation statements)

References 26 publications

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“…Since the mid-1990s, the Cold Target Recoil Ion Momentum Spectroscopy (COLTRIMS) [4][5][6] technique has provided a kinematically complete insight on collision processes involving photons, ions and electrons. Different theoretical studies such as the classical trajectory Monte-Carlo (CTMC) method [7][8][9][10], the first order Coulomb Born approximation (CB1) [11][12][13][14] and continuum distorted wave-Eikonal initial state (CDW-EIS) [15][16][17][18][19] have been developed to study the electron loss by a fast-bare ion in biological molecule. Two main processes which contribute to the single electron loss from atomic/molecular targets are the electron capture and the electron ionization dominating at low and high impact velocities, respectively.…”

Section: Introductionmentioning

confidence: 99%

Electron-capture Process Induced by Bare Ion Impact on Biological Targets

Samaddar¹,

Purkait²,

Halder³

et al. 2019

JEPE

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Within the framework of independent electron approach, the prior form of boundary corrected continuum intermediate state (BCCIS) approximation is employed to calculate the cross sections for total single electron capture in collision of bare ions (H + , He 2+ and Li 3+ ) with biological molecules in the intermediate to high energy regimes. With a suitable choice of the distorting potential, the boundary condition is satisfied with a proper account of the intermediate continuum states. The cross sections have been calculated from 25 keV/amu to 10 MeV/amu. We have approximated the cross sections for molecular targets by the linear combination of atomic cross sections weighted by the effective occupation electron number. Furthermore, the multi-electronic problem is reduced to a mono-electronic one using a version of the independent electron approximation. A detailed analysis on the contributions from different molecular orbitals to total cross sections is reported. In the present investigation, we observe clearly the importance of the core contribution in the change of slope of the TCS curves. Moreover, analysis has been made on the cross section per target electron resulting in achievement of a 'universal' cross section. However, some negligible discrepancies are observed for the case of the CH 4 molecule. The present computed results in prior from of BCCIS method have been compared with the available theoretical and experimental results. We found that our computed results are in good agreement with the experimental findings.

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Section: Introductionmentioning

confidence: 99%

Electron-capture Process Induced by Bare Ion Impact on Biological Targets

Samaddar¹,

Purkait²,

Halder³

et al. 2019

JEPE

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“…A more accurate description of the various fragmentation channels can be given when multielectron transitions are also taken into account [24]. Multiple-ionization and electron-capture processes in ion-H 2 O collisions are considered in [25,26] using the classical trajectory Monte Carlo (CTMC) treatment and in [27,28] using the basis generator method (BGM).…”

Section: Introductionmentioning

confidence: 99%

Single and multiple electron removal and fragmentation in collisions of protons with water molecules

et al. 2016

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Single and multiple electron removal processes (capture and ionization) in proton-H 2 O collisions have been investigated applying the continuum distorted wave with eikonal initial-state model within the framework of independent electron approach. Probabilities and cross sections for electron capture are derived from the same quantities evaluated for ionization using the continuity of transition quantities across the ionization threshold. Dissociation and fragmentation cross sections for the H 2 O q+ (q = 1-3) ions have been evaluated by considering branching ratios that include the effect of multiple electron removal transitions. The results are compared with experimental and other theoretical data in the range of impact energies from 30 kev to 5 MeV. Generally, the evaluated cross sections and fragmentation yields show good agreement with experiments at impact energies above 100-150 keV.

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“…Theoretical investigations have also been performed extensively for nucleic-acid-base molecules [12][13][14][15][16] and water [17][18][19][20].…”

Section: Introductionmentioning

confidence: 99%

Absolute doubly differential cross sections for ionization of adenine by 1.0-MeV protons

et al. 2011

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Double-differential ionization cross sections of adenine (C 5 H 5 N 5 ) by 1.0-MeV protons have been measured using a vapor-phase adenine target. Ejected electrons were analyzed by a 45 • parallel-plate electrostatic spectrometer in an electron energy range from 1 to 1000 eV at electron emission angles from 15 • to 165 • . The effective target thickness of adenine was determined by a Rutherford forward scattering method and a vapor deposition method. Present data are in good agreement with recent calculations. Comparisons were made with other data on various hydrocarbon molecules. It was found that the ionization cross sections of these molecules can be scaled fairly well in terms of the total number of valence electrons.

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Total cross sections for ionizing processes induced by proton impact on molecules of biological interest: A classical trajectory Monte Carlo approach

Cited by 27 publications

References 26 publications

Electron-capture Process Induced by Bare Ion Impact on Biological Targets

Electron-capture Process Induced by Bare Ion Impact on Biological Targets

Single and multiple electron removal and fragmentation in collisions of protons with water molecules

Absolute doubly differential cross sections for ionization of adenine by 1.0-MeV protons

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