Modelling dissociative dynamics of biosystems after metastable electron attachment: the sugar backbones

被引:10
作者
Baccarelli, I. [1 ]
Sebastianelli, F. [2 ,3 ]
Gianturco, F. A. [2 ,3 ]
Sanna, N. [1 ]
机构
[1] CASPUR, Supercomp Consortium, I-00185 Rome, Italy
[2] Univ Roma La Sapienza, Dept Chem, I-00185 Rome, Italy
[3] Univ Roma La Sapienza, CNISM, I-00185 Rome, Italy
关键词
TIME-DELAY MATRIX; SLOW-ELECTRONS; SCATTERING; RESONANCES; PHASE;
D O I
10.1140/epjd/e2008-00104-5
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
The damage induced by radiation in cells is currently described via low-energy attachment of electrons produced in the biological medium by the primary radiation. Therefore the corresponding metastable anionic states are obtained in this work from multichannel quantum calculations which, in the present study, involve beta-D-ribose and beta-D-deoxyribose molecular fragments from RNA and DNA structures. The scattering attributes associated with the resonant processes are derived from the computed total, elastic cross sections by means of a high-level Breit-Wigner analysis of the calculated phase shifts. The present procedure is shown to provide a powerful tool for extracting the resonance parameters from the scattering data even in the presence of broad, overlapping resonances which typically occur in the resonant dynamics of complicated biosystems after electron attachment effects.
引用
收藏
页码:131 / 136
页数:6
相关论文
共 34 条
[1]  
Abdoul-Carime H, 2001, RADIAT RES, V156, P151, DOI 10.1667/0033-7587(2001)156[0151:SSDIBT]2.0.CO
[2]  
2
[3]   Time-delay matrix analysis of several overlapping resonances: applications to the helium atom and the positronium negative ion [J].
Aiba, Keisuke ;
Igarashi, Akinori ;
Shimamura, Isao .
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 2007, 40 (02) :F9-F17
[4]  
ALTMAN SL, 1994, POINT GROUP THEORY T
[5]  
[Anonymous], 2017, J MOL STRUCT, DOI DOI 10.1016/J.MOLSTRUC.2017.03.014
[6]   Electron-driven molecular processes induced in biological systems by electromagnetic and other ionizing sources [J].
Baccarelli, I. ;
Gianturco, F. A. ;
Grandi, A. ;
Lucchese, R. R. ;
Sanna, N. .
ADVANCES IN QUANTUM CHEMISTRY, VOL 52, 2007, 52 :189-+
[7]  
BACCARELLI I, 2008, INT J QUANT IN PRESS
[8]  
BACCARELLI I, 2008, J PHYS B IN PRESS
[9]   Selective bond breaking in β-D-ribose by gas-phase electron attachment around 8 eV [J].
Baccarelli, Isabella ;
Gianturco, Franco A. ;
Grandi, Andrea ;
Sanna, Nico ;
Lucchese, Robert R. ;
Bald, Ilko ;
Kopyra, Janina ;
Illenberger, Eugen .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2007, 129 (19) :6269-6277
[10]  
Bohm D., 1951, Quantum Theory