Abstract
New experimental data on the fragmentation of the tyrosine amino acid molecule (\(\hbox {C}_{9} \hbox {H}_{11} \hbox {NO}_{3})\) are presented being related to the formation of the ionized products due to the low-energy electron impact. The resulting fragments have been identified and analyzed using an extensive DFT theory approach. The results allowed the main pathways of the electron-impact tyrosine molecule fragmentation to be suggested. The absolute appearance energies for several fragments have been measured experimentally and calculated theoretically, compared and analyzed.
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Data Availability Statement
This manuscript has no associated data or the data will not be deposited. [Authors’ comment: The datasets generated during and analysed during the current study are available from the corresponding author on reasonable request.].
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Acknowledgements
The authors are grateful to the CA18212—Molecular Dynamics in the GAS phase COST Action and the Ukrainian National Research Fund (Grant No. 2020.01/0009 Influence of ionizing radiation on the structure of amino acid molecules) for financial support. We appreciate greatly the high-performance computing resources provided by the Information Technology Open Access Centre of Vilnius University.
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The authors contributed to this paper in the following proportions: Jelena Tamuliene (theoretical calculations, discussion of results)—40%, Liudmila Romanova (discussion of results)—20%, Vasyl Vukstich (experimental measurements)—20%, Alexander Snegursky (discussion of results)—20%.
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Tamuliene, J., Romanova, L., Vukstich, V. et al. 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
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DOI: https://doi.org/10.1140/epjd/s10053-021-00258-6