Dynamics of Halogenated Biomolecules Transient Ions

• Grant number: 12/14294-3
• Support Opportunities: Scholarships in Brazil - Doctorate
• Start date: October 01, 2012
• End date: February 29, 2016
• Field of knowledge: Physical Sciences and Mathematics - Physics - Atomic and Molecular Physics
• Principal Investigator: Márcio Teixeira do Nascimento Varella
• Grantee: Fábris Kossoski
• Host Institution: Instituto de Física (IF). Universidade de São Paulo (USP). São Paulo , SP, Brazil

Abstract

5-halouracils are biomolecules used as sensitizers in radiotherapy. Its great radiosensitivity arises from the interaction with low energy electrons (up to 20 eV), which are the most abundant secondary species generated by ionizing radiation in the biological medium. Electron attachment to molecules gives rise to transient anions, which may undergo dissociation. However, the underlying mechanisms are not yet fully undrestood. In this project, we intend to investigate dissociative electron attachment in 5-halouracils, where the halogen atom may be fluorine, chlorine or bromine. The transient anion states (shape resonance spectra) will be obtained from fixed-nuclei elastic electron scattering calculations employing the Schwinger multichannel method implemented with pseudopotentials. In a subsequent step, studies of vibrational dynamics of these anions will be performed using the Feshbach projection operator formalism and the resonance potentials obtained from the scattering calculations. One and tworeactive coordinates will be considered, thus allowing for the description of both direct and indirect dissociation mechanisms, along withvibrational excitation.

Academic Publications

(References retrieved automatically from State of São Paulo Research Institutions)

KOSSOSKI, Fábris. Dynamics of halogenated biomolecules transient ions. 2016. Doctoral Thesis - Universidade de São Paulo (USP). Instituto de Física (IF/SBI) São Paulo.