TY - JOUR
T1 - Theoretical and experimental study of charge transfer through DNA
T2 - Impact of mercury mediated T-Hg-T base pair
AU - Kratochvílová, Irena
AU - Golan, Martin
AU - Vala, Martin
AU - Špérová, Miroslava
AU - Weiter, Martin
AU - Páv, Ondřej
AU - Šebera, Jakub
AU - Rosenberg, Ivan
AU - Sychrovský, Vladimír
AU - Tanaka, Yoshiyuki
AU - Bickelhaupt, F. Matthias
N1 - Copyright:
Copyright 2014 Elsevier B.V., All rights reserved.
PY - 2014/5/22
Y1 - 2014/5/22
N2 - DNA-Hg complexes may play an important role in sensing DNA defects or in detecting the presence of Hg in the environment. A fundamental way of characterizing DNA-Hg complexes is to study the way the electric charge is transferred through the molecular chain. The main goal of this contribution was to investigate the impact of a mercury metal cation that links two thymine bases in a DNA T-T mismatched base pair (T-Hg-T) on charge transfer through the DNA molecule. We compared the charge transfer efficiencies in standard DNA, DNA with mismatched T-T base pairs, and DNA with a T-Hg(II)-T base pair. For this purpose, we measured the temperature dependence of steady-state fluorescence and UV-vis of the DNA molecules. The experimental results were confronted with the results obtained employing theoretical DFT methods. Generally, the efficiency of charge transfer was driven by mercury changing the spatial overlap of bases.
AB - DNA-Hg complexes may play an important role in sensing DNA defects or in detecting the presence of Hg in the environment. A fundamental way of characterizing DNA-Hg complexes is to study the way the electric charge is transferred through the molecular chain. The main goal of this contribution was to investigate the impact of a mercury metal cation that links two thymine bases in a DNA T-T mismatched base pair (T-Hg-T) on charge transfer through the DNA molecule. We compared the charge transfer efficiencies in standard DNA, DNA with mismatched T-T base pairs, and DNA with a T-Hg(II)-T base pair. For this purpose, we measured the temperature dependence of steady-state fluorescence and UV-vis of the DNA molecules. The experimental results were confronted with the results obtained employing theoretical DFT methods. Generally, the efficiency of charge transfer was driven by mercury changing the spatial overlap of bases.
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U2 - 10.1021/jp501986a
DO - 10.1021/jp501986a
M3 - Article
C2 - 24780102
AN - SCOPUS:84901310400
VL - 118
SP - 5374
EP - 5381
JO - Journal of Physical Chemistry B
JF - Journal of Physical Chemistry B
SN - 1520-6106
IS - 20
ER -