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Download fileTautomerization of Thymine Using Ultraviolet Light
journal contribution
posted on 2017-08-23, 00:00 authored by Jakob Vinje, Merete Falck, Federico Mazzola, Simon Phillip Cooil, Henrik Koch, Ida-Marie Høyvik, Justin WellsUltraviolet-light-induced
changes to the nucleobase thymine deposited
onto a MoS2 surface were studied using photoelectron spectroscopy
and first-principles calculations. These measurements suggest changes
in the molecular structure indicated by changes in core electron binding
energies. The experimental work has been interpreted by means of ab
initio calculations using coupled cluster singles and doubles (CCSD)
linear response theory. Contrary to the expected behavior, i.e., the
dimerization of two thymine molecules into a pyrimidine dimer, a shift
between two tautomeric forms was observed upon UV-exposure. Exposure
to ionizing radiation is known to induce damage in many biological
molecules, and the present work gives additional insight into its
effects on thymine, the interactions of the molecules, and finally
how certain UV photoproducts may be avoided.