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Resonant Auger Decay in Benzene.
J Phys Chem A
January 2025
Department of Chemistry, University of Southern California, Los Angeles, California 90089, United States.
We present ab initio calculations of the resonant Auger spectrum of benzene. In the resonant process, Auger decay ensues following the excitation of a core-level electron to a virtual orbital. Hence, resonant Auger decay gives rise to higher-energy Auger electrons compared to nonresonant decay.
View Article and Find Full Text PDFThe effects of cell displacement on DNA damages in targeted radiation therapy using Geant4-DNA.
Sci Rep
December 2024
Faculty of Science, Department of Physics, University of Guilan, Namjoo Avenue, P.O. Box 41635 - 1914, Rasht, 4193833697, Iran.
Charged particle radiation can, directly and indirectly, affect cells by breaking DNA strands. This effect includes DNA single-strand breaks (SSB) and DNA double-strand breaks (DSB), which may cause cell death and mitotic failure. Thus, using short-range charged particles such as Auger electrons (AEs) not only leads to the destruction of the target cell but also prevents the nearby healthy cells from exposing to ionizing radiation.
View Article and Find Full Text PDFThe potential of targeted radionuclide therapy to treat hypoxic tumor cells.
Nucl Med Biol
November 2024
Department of Medical Imaging, Nuclear Medicine, Radboudumc, Nijmegen, the Netherlands. Electronic address:
Tumor hypoxia contributes to cancer progression and therapy resistance. Several strategies have been investigated to relieve tumor hypoxia, of which some were successful. However, their clinical application remains challenging and therefore they are not used in daily clinical practice.
View Article and Find Full Text PDFAb initio calculations of molecular double Auger decay rates.
J Chem Phys
November 2024
Charles University, Faculty of Mathematics and Physics, Institute of Theoretical Physics, V Holešovičkách 2, 180 00 Prague, Czech Republic.
Article Synopsis
- The Fano-ADC(2,2) method is a new technique for calculating total and partial Auger decay widths in molecular core-hole states, including double Auger decay branching ratios.
- This method uses intermediate state representation for constructing many-electron wave functions and is applicable to different systems like atoms and molecules.
- The results show high accuracy, with a 30% average error in double Auger decay branching ratios compared to experiments, which is considered excellent given the method's complexity and assumptions.
Experimental and theoretical investigation of the Auger electron spectra of isothiocyanic acid, HNCS.
Phys Chem Chem Phys
November 2024
Institut für Physikalische und Theoretische Chemie, Universität Tübingen, Auf der Morgenstelle 18, 72076 Tübingen, Germany.
We investigate isothiocyanic acid, HNCS, by resonant and nonresonant Auger electron spectroscopy at the K-edge of carbon and nitrogen, and the L-edge of sulfur, employing soft X-ray synchrotron radiation. The C1s and N1s ionization energies as well as the S2s and S2p ionization energies are determined and X-ray absorption spectra reveal the transitions from the core to the virtual orbitals. Final states for all normal Auger electron spectra and the resonant ones recorded at the carbon and nitrogen edge are assigned and rationalized with theoretical spectra obtained with a wave-function based protocol.
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