Abstract
The propensity of 5-formyluracil and 5-formylcytosine, i.e. oxidative lesions and epigenetic intermediates, in acting as intrinsic DNA photosensitizers is unraveled by using a combination of molecular modeling, simulation and spectroscopy. Exploration of potential energy surfaces and non-adiabatic dynamics confirm a higher intersystem crossing rate for 5-formyluracil, whereas the kinetic models evidence different equilibria in the excited states for both compounds.
Highlights
ISSN 1359-7345 COMMUNICATION Xiaohao Liu et al CH4 conversion over Ni/HZSM-5 catalyst in the absence of oxygen: decomposition or dehydroaromatization?
The propensity of 5-formyluracil and 5-formylcytosine, i.e. oxidative lesions and epigenetic intermediates, in acting as intrinsic DNA photosensitizers is unraveled by using a combination of molecular modeling, simulation and spectroscopy
Direct absorption of mainly UVB light leads to the dominant production of cyclobutane pyrimidine dimers (CPD), along with 6-4 photoproduct (64-PP) or 8-oxoguanine as minor components.[8,11,12,13,14,15]
Summary
ISSN 1359-7345 COMMUNICATION Xiaohao Liu et al CH4 conversion over Ni/HZSM-5 catalyst in the absence of oxygen: decomposition or dehydroaromatization?. 64-PP DNA photolesion can by itself act as a photosensitizer leading to triplet energy transfer to nearby thymine, in what has been styled the ‘‘Trojan Horse’’ effect.[27,28,29] The same concept has been extended to oxidative lesions such as 5-formyluracil (ForU, see Fig. 1),[30,31] that is the principal product of pyrimidine oxidation and is potentially mutagenic.[32,33,34] The photosensitizing properties of ForU have been confirmed in vitro by UVA irradiation of supercoiled DNA,[31] whereas molecular modeling and simulation has evidenced the possibility of ISC and a feasible energy transfer to thymine.[30] a Universite de Lorraine and CNRS, LPCT UMR 7019, F-54000 Nancy, France.
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