Giacomozzi L, D'Angelo G, Diaz-Tendero S, de Ruette N, Stockett M H, Alcamí M, Cederquist H, Schmidt H T, Zettergren H
Department of Physics, Stockholm University, Stockholm SE-106 91, Sweden.
Departamento de Química, Módulo 13, Universidad Autónoma de Madrid, 28049 Madrid, Spain.
J Chem Phys. 2019 Jul 28;151(4):044306. doi: 10.1063/1.5109963.
We have measured fragment mass spectra and total destruction cross sections for protonated and deprotonated adenine following collisions with He at center-of-mass energies in the 20-240 eV range. Classical and ab initio molecular dynamics simulations are used to provide detailed information on the fragmentation pathways and suggest a range of alternative routes compared to those reported in earlier studies. These new pathways involve, for instance, losses of HNC molecules from protonated adenine and losses of NH or CHN from deprotonated adenine. The present results may be important to advance the understanding of how biomolecules may be formed and processed in various astrophysical environments.
我们测量了质子化和去质子化腺嘌呤与氦在质心能量为20 - 240 eV范围内碰撞后的碎片质谱和总破坏截面。采用经典和从头算分子动力学模拟来提供关于碎片化途径的详细信息，并提出了一系列与早期研究报道不同的替代途径。这些新途径包括，例如，质子化腺嘌呤损失HNC分子以及去质子化腺嘌呤损失NH或CHN。目前的结果对于推进理解生物分子在各种天体物理环境中如何形成和处理可能具有重要意义。
