Absolute total ionization cross sections of uracil (C4H4N2O2) in collisions with MeV energy highly charged carbon, oxygen and fluorine ions

Agnihotri, A. N.; Kasthurirangan, S; Nandi, Saikat; Kumar, Ajay; Champion, C.; Lekadir, H.; Hanssen, J.; Weck, Philippe F.; Galassi, M E; Rivarola, R D; Fojón, O A; Tribedi, Lokesh C.

doi:10.1088/0953-4075/46/18/185201

Cited by 33 publications

(40 citation statements)

References 48 publications

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“…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]. Symbols ⊳[24], ⊲[26], and[27] for electron impact with equivelocity conversion.…”

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confidence: 99%

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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confidence: 99%

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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“…Also due to the size and di culty of isolation, measurements are currently limited with respect to biological molecules in their native (aqueous) environment. Currently most of our understanding comes from studies in the gas phase, where the e↵ects of proton and other ion collisions on small molecules have been investigated [5,8,[33][34][35][36][37][38][39][40][41]. The resulting fragments can then be used to determine the most common fragmentation channels for a given particle energy.…”

Section: Introductionmentioning

confidence: 99%

Time-dependent density-functional-theory investigation of the collisions of protons and α particles with uracil and adenine

et al. 2017

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Time-dependent density functional theory was employed to study the e↵ects of proton and ↵-particle radiation on uracil and adenine. This method has the advantage of treating nuclear motion and electronic motion simultaneously, allowing for the study of electronic excitation, charge transfer, ionization, and nuclear motion. Particle energies were surveyed in the range of 15-500 keV for protons and 100-2000 keV for ↵-particles in conjunction with impact points both on and o↵ carbon bonds in order to investigate the electron and nuclear dynamics of irradiated molecules and the form and quantity of transferred energy. The stopping power, energy transferred, and ionization were found and the relationship between incident particle energy and electron density of to the target molecule was characterized for proton and ↵-particle radiation incident on adenine and uracil.

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“…Till date, a number of theoretical and experimental investigations have been carried out using photons, 1-5 electrons, [6][7][8] and heavy ions [9][10][11][12] as probes to understand the breakup dynamics of molecules including, large biomolecules [13][14][15][16] or even free fullerene. [17][18][19][20][21] To tackle the complexity involved in the molecular break-up processes, it is necessary to have sophisticated, state-of-the-art, theoretical models and highly differential experimental measurements.…”

Section: Introductionmentioning

confidence: 99%

A recoil ion momentum spectrometer for molecular and atomic fragmentation studies

Khan

Tribedi

Misra

2015

Review of Scientific Instruments

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We report the development and performance studies of a newly built recoil ion momentum spectrometer for the study of atomic and molecular fragmentation dynamics in gas phase upon the impact of charged particles and photons. The present design is a two-stage Wiley-McLaren type spectrometer which satisfies both time and velocity focusing conditions and is capable of measuring singly charged ionic fragments up-to 13 eV in all directions. An electrostatic lens has been introduced in order to achieve velocity imaging. Effects of the lens on time-of-flight as well as on the position have been investigated in detail, both, by simulation and in experiment. We have used 120 keV proton beam on molecular nitrogen gas target. Complete momentum distributions and kinetic energy release distributions have been derived from the measured position and time-of-flight spectra. Along with this, the kinetic energy release spectra of fragmentation of doubly ionized nitrogen molecule upon various projectile impacts are presented.

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Absolute total ionization cross sections of uracil (C₄H₄N₂O₂) in collisions with MeV energy highly charged carbon, oxygen and fluorine ions

Cited by 33 publications

References 48 publications

Ionization of biological molecules by multicharged ions using the stoichiometric model

Ionization of biological molecules by multicharged ions using the stoichiometric model

Time-dependent density-functional-theory investigation of the collisions of protons and α particles with uracil and adenine

A recoil ion momentum spectrometer for molecular and atomic fragmentation studies

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