Tautomerization of Thymine Using Ultraviolet Light

Ultraviolet-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 experim...

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Bibliographic Details
Published inLangmuir Vol. 33; no. 38; pp. 9666 - 9672
Main Authors Vinje, Jakob, Falck, Merete, Mazzola, Federico, Cooil, Simon Phillip, Koch, Henrik, Høyvik, Ida-Marie, Wells, Justin
Format Journal Article
LanguageEnglish
Published United States American Chemical Society 26.09.2017
Subjects
Dimerization
Electrons
Photoelectron Spectroscopy
Thymine - chemistry
Ultraviolet Rays
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Summary:Ultraviolet-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.
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ISSN:0743-7463
1520-5827
DOI:10.1021/acs.langmuir.7b02473