Calculation of electron scattering cross sections for Anthracene, Pyridine and Warfarin molecules over energy range 10–30000 eV

Gholami, Nasim; Hajivaliei, Mahdi; Samei, Mohammad Esmael

doi:10.1016/j.apradiso.2019.05.017

Cited by 5 publications

(8 citation statements)

References 31 publications

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“…The IAM-SCAR elastic DCS at 90 eV is supposed to be accurate to within 10%, as deduced from comparisons with accurate DCS measurements for different aromatic molecules and other halogenated compounds [24,25]. We have not found any experimental DCS data for pyridine at around 100 eV, but the recent calculation from Gholami et al [26] shows a reasonable agreement with the present calculation at 100 eV. Assuming that the calculated IAM-SCAR DCS at 90 eV are correct, a possible reason for the discrepancy between the experimental and simulated electron transport results in Figure 10 may be lack of effectiveness of the magnetic field to confining the electron beam at that relatively high energy.…”

Section: Discussionmentioning

confidence: 63%

A Complete Cross Section Data Set for Electron Scattering by Pyridine: Modelling Electron Transport in the Energy Range 0–100 eV

Costa

Traoré-Dubuis

Álvarez

et al. 2020

IJMS

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Electron scattering cross sections for pyridine in the energy range 0–100 eV, which we previously measured or calculated, have been critically compiled and complemented here with new measurements of electron energy loss spectra and double differential ionization cross sections. Experimental techniques employed in this study include a linear transmission apparatus and a reaction microscope system. To fulfill the transport model requirements, theoretical data have been recalculated within our independent atom model with screening corrected additivity rule and interference effects (IAM-SCAR) method for energies above 10 eV. In addition, results from the R-matrix and Schwinger multichannel with pseudopotential methods, for energies below 15 eV and 20 eV, respectively, are presented here. The reliability of this complete data set has been evaluated by comparing the simulated energy distribution of electrons transmitted through pyridine, with that observed in an electron-gas transmission experiment under magnetic confinement conditions. In addition, our representation of the angular distribution of the inelastically scattered electrons is discussed on the basis of the present double differential cross section experimental results.

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Section: Discussionmentioning

confidence: 63%

A Complete Cross Section Data Set for Electron Scattering by Pyridine: Modelling Electron Transport in the Energy Range 0–100 eV

Costa

Traoré-Dubuis

Álvarez

et al. 2020

IJMS

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“…This optical potential generally takes into account four potentials namely: electrostatic interaction potential, exchange potential, correlation-polarization potential and imaginary absorption potential. The procedures used for calculating these interaction potentials are described elsewhere [2].…”

Section: Electron Scatteringmentioning

confidence: 99%

“…Various radiation sources could be used in radiotherapy, in some cases electrons as incident beams are utilized [1]. The interaction of these electrons with the DNA bases could eventually lead to single and double-strand breaks in DNA, therefore, such types of radiation are used in radiotherapy to destroy cancer cells [2]. In this research, we intended to combine these two therapy methods in a physical approach.…”

Section: Introductionmentioning

confidence: 99%

Simulational and theoretical study of electron scattering cross section by Chlormethine-DNA complex

Ashouri,

Hajivaliei,

Gholami

et al. 2023

Phys. Scr.

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Studying phenomena happening in therapies to conquer cancer has been the aim of extensive research projects in recent years. One of the most practical treatments is utilizing electrons as interacting particles in body tissues. So, studying electron interactions with biological molecules is highly important. Chlormethine as an alkylating agent has always been used since the initial era of cancer chemotherapy. The drug makes interstrand and intrastrand covalent cross-links between two constituents in DNA. In this paper the physical interaction of electrons with Chlormethine drug was reported for the first time. Molecular dynamic (MD) simulations and free energy calculations were carried out to investigate near approach binding of the drug with DNA. Electron scattering cross sections on the system of DNA bases along with Chlormethine as an anticancer drug taken from MD simulations are studied in this paper. Calculations include relativistic Dirac partial-wave which is combined with a local interaction potential. Electron scattering is modelled by the independent atom model (IAM) considering a screening corrected coefficient over an energy range.

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“…Assuming the interactions between electron and the local free-electron gas as binary collisions, the cross section σ bc (E L , ρ e , Δ) accounts for these collisions involving energy transfer greater than a certain energy gap Δ [47]. If a projectile loses its energy larger than the first inelastic threshold then excitation of the target atom is possible, which is the reason to take into account the energy gap Δ [40,46].…”

Section: Theoretical Approachmentioning

confidence: 99%

Dirac partial wave calculation for electron scattering cross section by nucleic acid bases

Ashouri¹,

Hajivaliei²,

Gholami³

2022

Phys. Scr.

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Differential, total, elastic and inelastic scattering cross sections due to the electron impact on the primary nucleic acid bases, are calculated with relativistic Dirac partial-wave considering a local interaction potential known as spherical complex optical potential model. The electron scattering is modeled by implementing screening-corrected additivity rule, a modified form of independent atom model, over an energy range of 10-20000 eV. Comparisons of results obtained in this work with other theoretical and experimental approaches are also presented.

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Calculation of electron scattering cross sections for Anthracene, Pyridine and Warfarin molecules over energy range 10–30000 eV

Cited by 5 publications

References 31 publications

A Complete Cross Section Data Set for Electron Scattering by Pyridine: Modelling Electron Transport in the Energy Range 0–100 eV

A Complete Cross Section Data Set for Electron Scattering by Pyridine: Modelling Electron Transport in the Energy Range 0–100 eV

Simulational and theoretical study of electron scattering cross section by Chlormethine-DNA complex

Dirac partial wave calculation for electron scattering cross section by nucleic acid bases

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Calculation of electron scattering cross sections for Anthracene, Pyridine and Warfarin molecules over energy range 10–30000 eV

Cited by 5 publications

References 31 publications

A Complete Cross Section Data Set for Electron Scattering by Pyridine: Modelling Electron Transport in the Energy Range 0–100 eV

A Complete Cross Section Data Set for Electron Scattering by Pyridine: Modelling Electron Transport in the Energy Range 0–100 eV

Simulational and theoretical study of electron scattering cross section by Chlormethine-DNA complex

Dirac partial wave calculation for electron scattering cross section by nucleic acid bases

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Product

Resources

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Calculation of electron scattering cross sections for Anthracene, Pyridine and Warfarin molecules over energy range 10–30000 eV