Abstract
A theoretical approach of the charge transfer dynamics induced by collision of C6+ ions with biological targets has been performed in a wide collision energy range by means of ab-initio quantum chemistry molecular methods. The process has been investigated for the target series thymine, uracil and 5-halouracil corresponding to similar molecules with different substituent on carbon C5. Such a study may be related to hadrontherapy treatments by C6+carbon ions and may provide, in particular, information on the radio-sensitivity of the different bases with regard to ion-induced radiation damage. The results have been compared to a previous analysis concerning the collision of C4+ carbon ions with the same biomolecular targets and significant charge effects have been pointed out.
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References
C. von Sonntag, in The Chemical Basis for Radiation Biology (Taylor and Francis, London, 1987)
B.D. Michael, P.D. O’Neill, Science 287, 1603 (2000)
B. Boudaiffa, P. Cloutier, D. Hunting, M.A. Huels, L. Sanche, Science 287, 1658 (2000)
X. Pan, P. Cloutier, D. Hunting, L. Sanche, Phys. Rev. Lett. 90, 208102 (2003)
F. Martin, P.D. Burrow, Z. Cai, P. Cloutier, D. Hunting, L. Sanche, Phys. Rev. Lett. 93, 068101 (2004)
H. Abdoul-Carime, M.A. Huels, E. Illenberger, L. Sanche, J. Am. Chem. Soc. 123, 5354 (2001)
J. de Vries, R. Hoekstra, R. Morgenstern, T. Schlathölter, J. Phys. B 35, 4373 (2002)
B. Coupier, B. Farizon, M. Farizon, M.J. Gaillard, F. Gobet, N.V. de Castro Faria, G. Jalbert, S. Ouaskit, M. Carré, B. Gstir, G. Hanel, S. Denifl, L. Feketeova, P. Scheier, T.D. Märk, Eur. Phys. J. D 20, 459 (2002)
J. de Vries, R. Hoekstra, R. Morgenstern, T. Schlathölter, Eur. Phys. J. D 24, 161 (2003)
M.C. Bacchus-Montabonel, M. Łabuda, Y.S. Tergiman, J.E. Sienkiewicz, Phys. Rev. A 72, 052706 (2005)
M.C. Bacchus-Montabonel, Y.S. Tergiman, Phys. Rev. A 74, 054702 (2006)
F. Alvarado, S. Bari, R. Hoekstra, T. Schlathölter, Phys. Chem. Chem. Phys. 8, 1922 (2006)
T. Schalhölter, F. Alvarado, S. Bari, A. Lecointre, R. Hoekstra, V. Bernigaud, B. Manil, J. Rangama, B. Huber, Chem. Phys. Chem. 7, 2339 (2006)
M.C. Bacchus-Montabonel, Y.S. Tergiman, D. Talbi, Phys. Rev. A 79, 012710 (2009)
S. Lacombe, C. Le Sech, V.A. Esaulov, Phys. Med. Biol. 49, N65 (2004)
A. Wambersie, in Atomic and Molecular Data for Radiotherapy and Radiation Research (IAEA, 1995), p. 7
G. Kraft, M. Scholtz, U. Bechthold, Radiat. Environ. Biophys. 38, 229 (1999)
Z. Deng, M. Imhoff, M.A. Huels, J. Chem. Phys. 123, 144509 (2005)
Z. Deng, I. Bald, E. Illenberger, M.A. Huels, Phys. Rev. Lett. 95, 153201 (2005)
M.C. Bacchus-Montabonel, Y.S. Tergiman, Chem. Phys. Lett. 503, 45 (2011)
M.C. Bacchus-Montabonel, Y.S. Tergiman, Phys. Chem. Chem. Phys. 13, 9761 (2011)
E. Bene, Á. Vibók, G.J. Halász, M.C. Bacchus-Montabonel, Chem. Phys. Lett. 455, 159 (2008)
E. Bene, P. Martínez, G.J. Halász, Á. Vibók, M.C. Bacchus-Montabonel, Phys. Rev. A 80, 012711 (2009)
M.C. Bacchus-Montabonel, Y.S. Tergiman, Comput. Theor. Chem. 990, 177 (2012)
S. Zamenhof, R. DeGiovanni, S. Greer, Nature 181, 827 (1958)
P. McLaughlin, W. Mancini, P. Stetson, H. Greenberg, N. Nguyen, H. Seabury, D. Heidorn, T.S. Lawrence, Int. J. Radiat. Oncol. Biol. Phys. 26, 637 (1993)
L. Salem, in Electrons in Chemical Reactions: First Principles (Wiley Interscience, New York, 1982)
M.C. Bacchus-Montabonel, D. Talbi, M. Persico, J. Phys. B 33, 955 (2000)
MOLPRO (version 2010.1) is a package ab initio programs written by H.-J. Werner, P.J. Knowles, F.R. Manby, M. Schütz, P. Celani, G. Knizia, T. Korona, R. Lindh, A. Mitrushenkov, G. Rauhut, T.B. Adler, R.D. Amos, A. Bernhardsson, A. Berning, D.L. Cooper, M.J.O. Deegan, A.J. Dobbyn, F. Eckert, E. Goll, C. Hampel, A. Hesselmann, G. Hetzer, T. Hrenar, G. Jansen, C. Köppl, Y. Liu, A.W. Lloyd, R.A. Mata, A.J. May, S.J. McNicholas, W. Meyer, M.E. Mura, A. Nicklaß, P. Palmieri, K. Pflüger, R. Pitzer, M. Reiher, T. Shiozaki, H. Stoll, A. J. Stone, R. Tarroni, T. Thorsteinsson, M. Wang, A. Wolf, www.molpro.net
M.C. Bacchus-Montabonel, N. Vaeck, B. Lasorne, M. Desouter-Lecomte, Chem. Phys. Lett. 374, 307 (2003)
M.C. Bacchus-Montabonel, F. Fraija, Phys. Rev. A 49, 5108 (1994)
P. Honvault, M. Gargaud, M.C. Bacchus-Montabonel, R. McCarroll, Astron. Astrophys. 302, 931 (1995)
P.C. Stancil, B. Zygelman, K. Kirby, in Photonic, Electronic, and Atomic Collisions, edited by F. Aumayr, H.P. Winter (World Scientific, Singapore, 1998), p. 537
A. Chenel, E. Mangaud, Y. Justum, D. Talbi, M.C. Bacchus-Montabonel, M. Desouter-Lecomte, J. Phys. B 43, 245701 (2010)
M.C. Bacchus-Montabonel, Y.S. Tergiman, Chem. Phys. Lett. 497, 18 (2010)
R.J. Allan, C. Courbin, P. Salas, P. Wahnon, J. Phys. B 23, L461 (1990)
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Bacchus-Montabonel, M.C. Theoretical study of charge transfer dynamics in collisions of C6+ carbon ions with pyrimidine nucleobases. Eur. Phys. J. D 66, 175 (2012). https://doi.org/10.1140/epjd/e2012-30022-8
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DOI: https://doi.org/10.1140/epjd/e2012-30022-8