Comprehensive analysis of DNA strand breaks at the guanosine site induced by low-energy electron attachment

Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
Jiande GuJerzy Leszczynski

Abstract

To elucidate the role of guanosine in DNA strand breaks caused by low-energy electrons (LEEs), theoretical investigations of the LEE attachment-induced C-O sigma-bonds and N-glycosidic bond breaking of 2'-deoxyguanosine-3',5'-diphosphate (3',5'-dGMP) were performed using the B3LYP/DZP++ approach. The results reveal possible reaction pathways in the gas phase and in aqueous solutions. In the gas phase LEEs could attach to the phosphate group adjacent to the guanosine to form a radical anion. However, the small vertical detachment energy (VDE) of the radical anion of guanosine 3',5'-diphosphate in the gas phase excludes either C-O bond cleavage or N-glycosidic bond breaking. In the presence of the polarizable surroundings, the solvent effects dramatically increase the electron affinities of the 3',5'-dGDP and the VDE of 3',5'-dGDP(-). Furthermore, the solvent-solute interactions greatly reduce the activation barriers of the C-O bond cleavage to 1.06-3.56 kcal mol(-1). These low-energy barriers ensure that either C(5')-O(5') or C(3')-O(3') bond rupture takes place at the guanosine site in DNA single strands. On the other hand, the comparatively high energy barrier of the N-glycosidic bond rupture implies that this reaction pathway...Continue Reading

References

Jul 18, 2001·Journal of the American Chemical Society·S S WesolowskiH F Schaefer
Jan 10, 2002·Chemical Reviews·Jonathan C Rienstra-KiracofeG Barney Ellison
Apr 10, 2003·Journal of the American Chemical Society·Michael A HuelsLeon Sanche
Jun 6, 2003·Physical Review Letters·X PanL Sanche
Jun 6, 2003·Physical Review Letters·G HanelT D Märk
Nov 6, 2003·Journal of the American Chemical Society·Xifeng LiLéon Sanche
Jan 30, 2004·Journal of the American Chemical Society·Yi ZhengLéon Sanche
Apr 1, 2004·Journal of the American Chemical Society·Nancy A RichardsonHenry F Schaefer III
May 20, 2004·Journal of the American Chemical Society·Joanna BerdysJack Simons
Aug 25, 2004·Physical Review Letters·Frédéric MartinLéon Sanche
Dec 24, 2004·Proceedings of the National Academy of Sciences of the United States of America·S G RayR Naaman
Jan 20, 2005·Journal of the American Chemical Society·Jiande GuHenry F Schaefer
Nov 25, 2005·Journal of the American Chemical Society·Yi ZhengJ Richard Wagner
Jan 26, 2006·Journal of the American Chemical Society·Jiande GuHenry F Schaefer
Feb 18, 2006·The Journal of Chemical Physics·Yi ZhengLéon Sanche
Apr 6, 2006·Proceedings of the National Academy of Sciences of the United States of America·Xiaoguang BaoJerzy Leszczynski
Jun 29, 2006·Radiation Research·Xifeng LiMichael D Sevilla
Jul 20, 2006·Journal of the American Chemical Society·Jiande GuJerzy Leszczynski
Oct 18, 2006·Accounts of Chemical Research·Jack Simons
Jul 31, 2007·Nucleic Acids Research·Jiande GuHenry F Schaefer
Sep 4, 2007·The Journal of Chemical Physics·Sarah T StokesKit H Bowen

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Citations

May 23, 2012·Journal of the American Chemical Society·Maeve Smyth, Jorge Kohanoff
Feb 4, 2012·The Journal of Physical Chemistry. a·Miroslav MelicherčíkMiroslav Urban
May 1, 2010·Nucleic Acids Research·Jiande GuJerzy Leszczynski
May 9, 2012·Radiation Protection Dosimetry·Elahe Alizadeh, Léon Sanche
Feb 26, 2016·Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry·Shoushan WangYuxiang Bu
Aug 13, 2015·The Journal of Physical Chemistry Letters·Maeve McAllisterJorge Kohanoff
Apr 6, 2012·Radiation Research·Yeunsoo ParkHyuck Cho
Jun 16, 2017·Journal of Physics. Condensed Matter : an Institute of Physics Journal·Jorge KohanoffBin Gu
Feb 19, 2019·Nucleic Acids Research·Pradip K Biswas, Sandipan Chakraborty
Jul 27, 2021·The Journal of Physical Chemistry. a·Piotr StoroniakKit H Bowen
Sep 4, 2014·The Journal of Physical Chemistry. B·Hsing-Yin ChenLi-Wenm Liao
Nov 1, 2011·The Journal of Physical Chemistry. B·Jiande GuJerzy Leszczynski

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