Іонізація молекул амінокислот тирозину та треоніну електронним ударом

• Datum: 2022
• Hauptverfasser: Vukstich, V.S., Bohachov, H.G., Vasiliev, O.V., Remeta, E.Yu.
• Format: Artikel
• Sprache: English; Ukrainian
• Veröffentlicht: Publishing house "Academperiodika" 2022
• Schlagworte: амiнокислота; потенцiал iонiзацiї; молекулярна орбiталь; перерiз iонiзацiї
• Online Zugang: https://ujp.bitp.kiev.ua/index.php/ujp/article/view/2022410
• Назва журналу: Ukrainian Journal of Physics

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.