Electron-Impact Ionization of Tyrosine and Threonine Amino Acid Molecules

Authors

  • V.S. Vukstich Institute of Electron Physics, Nat. Acad. of Sci. of Ukraine
  • H.G. Bohachov Institute of Electron Physics, Nat. Acad. of Sci. of Ukraine
  • O.V. Vasiliev Institute of Electron Physics, Nat. Acad. of Sci. of Ukraine
  • E.Yu. Remeta Institute of Electron Physics, Nat. Acad. of Sci. of Ukraine

DOI:

https://doi.org/10.15407/ujpe67.7.473

Keywords:

amino acid, ionization potential, molecular orbital, ionization cross-section

Abstract

For a tyrosine amino acid molecule, the energy dependence of the electron-impact singleionization cross-section is measured, and its threshold is determined. By normalizing the experimental relative cross-section values by the theoretical ones, the absolute cross-section values are determined. The ionization potentials of tyrosine and threonine molecules are evaluated theoretically on the basis of the binding energies of their highest occupied orbitals. The characteristics of molecular orbitals are calculated using the Hartree–Fock and density functional theory methods. The cross-sections of the single-ionization of the D- and L-forms of examined molecules are evaluated in the framework of the Binary–Encounter–Bethe model and using the Gryzinski formula.

References

J.D. Gorfinkiel, S. Ptasinska. Electron scattering from molecules and molecular aggregates of biological relevance. J. Phys. B 50, 182001 (2017).

https://doi.org/10.1088/1361-6455/aa8572

I.I. Shafranyosh, Y.Yu. Svida, M.I. Sukhoviya, M.I. Shafranyosh, B.F. Minaev, G.V. Baryshnikov, V.A. Minaev. Absolute effective electron-impact ionization cross-sections of adenine and guanine molecules. Zh. Tekhn. Fiz. 85, No. 10, 16 (2015) (in Russian).

https://doi.org/10.1134/S1063784215100278

A.N. Zavilopulo, A.I. Bulgakova. Mass spectrometry of glutamic acid and glutamine molecules in the gas phase. Pis'ma Zh. Tekhn. Fiz. 45, No. 24, 36 (2019) (in Russian).

https://doi.org/10.1134/S1063785019120290

L. Baliulyt'e. Quantum chemical investigations of the fragmentation of amino acids by low energy electrons. Dr. Sci. thesis (Vilnius, 2020).

P. Mozejko, L. Sanche. cross-section calculations for electron scattering from DNA and RNA bases. Radiat. Environ. Biophys. 42, 201 (2003).

https://doi.org/10.1007/s00411-003-0206-7

J. Tamulien'e, L. Romanova, V. Vukstich, A. Papp, S. Shkurin, L. Baliulyt'e, A. Snegursky. On the influence of low-energy ionizing radiation on the amino acid molecule: proline. Eur. Phys. J. D 70. 143 (2016).

https://doi.org/10.1140/epjd/e2016-70171-0

J. Tamulien'e, L. Romanova, V. Vukstich, A. Papp, S. Shkurin, L. Baliulyt'e, A. Snegursky. On the influence of low-energy ionizing radiation on the amino acid molecule: Valine case. Lith. J. Phys. 58, 135 (2018).

https://doi.org/10.3952/physics.v58i2.3743

J. Tamulien'e, L. Romanova, V. Vukstich, A. Papp, S. Shkurin, L. Baliulyt'e, A. Snegursky. The impact of low-energy ionizing radiation on glutamine. Int. J. Mass Spectr. 444, 116185 (2019).

https://doi.org/10.1016/j.ijms.2019.116185

J. Tamulien'e, L. Romanova, V. Vukstich, A. Papp, S. Shkurin, L. Baliulyt'e, A. Snegursky. Fragmentation of threonine under low-energy electron impact. Eur. Phys. J. D 75, 31 (2021).

https://doi.org/10.1140/epjd/s10053-021-00042-6

J. Tamulien'e, L. Romanova, V. Vukstich, A. Papp, S. Shkurin, L. Baliulyt'e, A. Snegursky. Fragmentation of tyrosine by low-energy electron impact. Eur. Phys. J. D 75, 246 (2021).

https://doi.org/10.1140/epjd/s10053-021-00258-6

O.V. Vasiliev, Sh.Sh. Demesh, E.Yu. Remeta. Singleionization of threonine and tyrosine amino acids. In Materials of International Conference of Young Scientists and Graduate Students, Uzhgorod, May 26-28, 2021; p. 140 (in Ukrainian).

O.V. Vasiliev, Sh.Sh. Demesh, E.Yu. Remeta. Single-ionization of complex biomolecules. In Materials of International Conference of Young Scientists and Graduate Students, Uzhgorod, May 26-28, 2021; p. 142 (in Ukrainian).

A. Zavilopulo, A. Bulhakova, S. Demes, E. Remeta. Ionization of some amino acid molecules. POSMOL 2021. Book of Abstracts (2021), p. 37.

S. Demes, A.N. Zavilopulo, O.B. Shpenik, E.Yu. Remeta. Fragment appearance energies in dissociative ionization of a sulfur hexafluoride molecule by electron impact. Tech. Phys. 60, 830 (2015).

https://doi.org/10.1134/S1063784215060067

S. Demes, E.Yu. Remeta. Ion appearance energies at electron-impact dissociative ionization of sulfur hexafluoride molecule and its fragments. Eur. Phys. J. D 69, 168 (2015).

https://doi.org/10.1140/epjd/e2015-50636-4

S. Demes, E.Yu. Remeta. Ab initio study of energy characteristics of small polyatomic molecules in threshold electron-impact dissociative ionization processes. J. Phys.: Conf. Ser. 1412, 152065 (2020).

https://doi.org/10.1088/1742-6596/1412/15/152065

V.S. Vukstich, A.I. Imre, A.V. Snegursky. Modernization of the MI1201 mass spectrometer for studying the electronmolecule interaction processes at low electron energies. Instr. Exper. Tech. 54, 207 (2011).

https://doi.org/10.1134/S0020441211020205

G. Hanel, B. Gstir, T. Fiegele, F. Hagelberg, K. Becker, P. Scheier, A. Snegursky, T.D. Maerk. Isotope effects in the electron-impact ionization of H2/D2, H2O/D2O and C6H6/C6D6 near threshold. J. Chem. Phys. 116, 2456 (2002).

https://doi.org/10.1063/1.1428341

K. Yong-Ki, M.E. Rudd. Binary-encounter-dipole model for electron-impact ionization. Phys. Rev. A 50, 3954 (1994).

https://doi.org/10.1103/PhysRevA.50.3954

K. Yong-Ki, K.K. Irikura, M.A. Ali. Electron-impact total ionization cross-sections of molecular ions. J. Res. Nat. Inst. Stand. Technol. 105, No. 2, 285 (2000).

https://doi.org/10.6028/jres.105.032

H. Tanaka, M.J. Brunger, L. Campbell, H. Kato, M. Hoshino, A.R.P. Rau. Scaled plane-wave Born cross-sections for atoms and molecules. Rev. Mod. Phys. 88, 025004 (2016).

https://doi.org/10.1103/RevModPhys.88.025004

M. Gryzinski. Classical theory of atomic collisions. I. Theory of inelastic collisions. Phys. Rev. 138, A336 (1965).

https://doi.org/10.1103/PhysRev.138.A336

Sh.Sh. Demesh, O.V. Vasiliev, E.Yu. Remeta. Description of the single-ionization process of complex molecules. Nauk. Visn. Uzhgorod. Univ. Ser. Fiz. 47, 101 (2020) (in Ukrainian).

M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb et al. Gaussian 09 Revision E.1 (Gaussian Inc., Wallingford, CT, 2009).

A.M. Zavilopulo, Sh.Sh. Demesh, E.Yu. Remeta, A.I. Bulgakova. Electron-impact ionization of the glutamic acid and glutamine molecules. Ukr. J. Phys. 66, 745 (2021).

Published

2022-11-26

How to Cite

Vukstich, V., Bohachov, H., Vasiliev, O., & Remeta, E. (2022). Electron-Impact Ionization of Tyrosine and Threonine Amino Acid Molecules. Ukrainian Journal of Physics, 67(7), 473. https://doi.org/10.15407/ujpe67.7.473

Issue

Section

Optics, atoms and molecules

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