Electron-Impact Ionization of Tyrosine and Threonine Amino Acid Molecules
DOI:
https://doi.org/10.15407/ujpe67.7.473Keywords:
amino acid, ionization potential, molecular orbital, ionization cross-sectionAbstract
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).
Downloads
Published
How to Cite
Issue
Section
License
Copyright Agreement
License to Publish the Paper
Kyiv, Ukraine
The corresponding author and the co-authors (hereon referred to as the Author(s)) of the paper being submitted to the Ukrainian Journal of Physics (hereon referred to as the Paper) from one side and the Bogolyubov Institute for Theoretical Physics, National Academy of Sciences of Ukraine, represented by its Director (hereon referred to as the Publisher) from the other side have come to the following Agreement:
1. Subject of the Agreement.
The Author(s) grant(s) the Publisher the free non-exclusive right to use the Paper (of scientific, technical, or any other content) according to the terms and conditions defined by this Agreement.
2. The ways of using the Paper.
2.1. The Author(s) grant(s) the Publisher the right to use the Paper as follows.
2.1.1. To publish the Paper in the Ukrainian Journal of Physics (hereon referred to as the Journal) in original language and translated into English (the copy of the Paper approved by the Author(s) and the Publisher and accepted for publication is a constitutive part of this License Agreement).
2.1.2. To edit, adapt, and correct the Paper by approval of the Author(s).
2.1.3. To translate the Paper in the case when the Paper is written in a language different from that adopted in the Journal.
2.2. If the Author(s) has(ve) an intent to use the Paper in any other way, e.g., to publish the translated version of the Paper (except for the case defined by Section 2.1.3 of this Agreement), to post the full Paper or any its part on the web, to publish the Paper in any other editions, to include the Paper or any its part in other collections, anthologies, encyclopaedias, etc., the Author(s) should get a written permission from the Publisher.
3. License territory.
The Author(s) grant(s) the Publisher the right to use the Paper as regulated by sections 2.1.1–2.1.3 of this Agreement on the territory of Ukraine and to distribute the Paper as indispensable part of the Journal on the territory of Ukraine and other countries by means of subscription, sales, and free transfer to a third party.
4. Duration.
4.1. This Agreement is valid starting from the date of signature and acts for the entire period of the existence of the Journal.
5. Loyalty.
5.1. The Author(s) warrant(s) the Publisher that:
– he/she is the true author (co-author) of the Paper;
– copyright on the Paper was not transferred to any other party;
– the Paper has never been published before and will not be published in any other media before it is published by the Publisher (see also section 2.2);
– the Author(s) do(es) not violate any intellectual property right of other parties. If the Paper includes some materials of other parties, except for citations whose length is regulated by the scientific, informational, or critical character of the Paper, the use of such materials is in compliance with the regulations of the international law and the law of Ukraine.
6. Requisites and signatures of the Parties.
Publisher: Bogolyubov Institute for Theoretical Physics, National Academy of Sciences of Ukraine.
Address: Ukraine, Kyiv, Metrolohichna Str. 14-b.
Author: Electronic signature on behalf and with endorsement of all co-authors.