TY - JOUR
T1 - Double proton transfer mechanism in the adenine-uracil base pair and spontaneous mutation in RNA duplex
AU - Cerón-Carrasco, José P.
AU - Requena, Alberto
AU - Perpète, Eric A.
AU - Michaux, Catherine
AU - Jacquemin, Denis
PY - 2009/12/8
Y1 - 2009/12/8
N2 - We study the mechanism of double proton transfer (DPT) in the adenine-uracil (AU) base pair, both in gas phase and under the influence of surrounding water molecules. According to our ab initio calculations, no stable proton transfer product exists in gas phase, while in solution, the DPT process may occur only through the catalysis of water molecules. Nevertheless, a thermodynamic analysis confirms that AU does not contribute to spontaneous mutation in RNA duplex, and thus guanine-cytosine (GC) would be the only base pair contributing to spontaneous mutation.
AB - We study the mechanism of double proton transfer (DPT) in the adenine-uracil (AU) base pair, both in gas phase and under the influence of surrounding water molecules. According to our ab initio calculations, no stable proton transfer product exists in gas phase, while in solution, the DPT process may occur only through the catalysis of water molecules. Nevertheless, a thermodynamic analysis confirms that AU does not contribute to spontaneous mutation in RNA duplex, and thus guanine-cytosine (GC) would be the only base pair contributing to spontaneous mutation.
UR - http://www.scopus.com/inward/record.url?scp=71849086447&partnerID=8YFLogxK
U2 - 10.1016/j.cplett.2009.11.004
DO - 10.1016/j.cplett.2009.11.004
M3 - Article
AN - SCOPUS:71849086447
SN - 0009-2614
VL - 484
SP - 64
EP - 68
JO - Chemical Physics Letters
JF - Chemical Physics Letters
IS - 1-3
ER -