Interaction of adenine adducts with thymine: A computational study
Article Abstract:
The geometrical structures, energetic properties, as well as the hydrogen-bonding strengths of the various adenine DNA adducts and their interactions with thymine are studied by using various single-point energy calculations of the molecules. The results provide the fundamental understanding of the adenine adduct and thymine interaction at the molecular level, which further demonstrates the several causes of the DNA damage.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2007
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Hydrogen-abstracted adenine-thymine radicals with interesting transferable properties
Article Abstract:
A study was conducted to theoretically explore the energetic and structural properties of the nine possible neutral radicals formed via hydrogen abstraction from the adenine-thymine base pair. Except for hydrogen bond length changes for some of the radicals, the A-T base pair geometry is resilient to formation of radicals through hydrogen abstraction.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2007
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The two-photon excitation cross section of 6MAP, a fluorescent adenine analogue
Article Abstract:
The two-photon excitation spectrum of 6MAP monomer in aqueous buffer is measured. A concentration-dependent quenching is observed for the one-photon excited fluorescence quantum yield but it is absent in the two-photo excitation (TPE) cross-section.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2005
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