Electronic coupling mediated by stacked [Thymine-Hg-Thymine] base pairs
Article Abstract:
Quantum mechanical calculations were carried out on double-stranded pi-stacks GXG, GXXG, and GXXXG, where X = [ThymineHg-Thymine] and stack GTnG of canonical base pairs to estimate the effect of such pairs on the efficiency of charge transfer through DNA. Results reveal that the valence orbitals of Hg atoms do not essentially participate in mediating the electronic coupling for hole transfer.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2006
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Electronic couplings in DNA pi-stacks: Multistate effects
Article Abstract:
A study reporting donor-acceptor electronic couplings in several DNA pi-stacks based on Hartree-Fock calculations is presented which employs a multistage generalized Mulliken-Hush (GMH) approach. The calculations show that the nature of adjacent base pairs external to the donor-bridge-acceptor unit has small effect on the coupling.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2005
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Electrochemical approach to the repair of oxetanes mimicking DNA (6-4) photoproducts
Article Abstract:
New insights into the repair mechanism by (6-4) photolyase are presented by studying oxetanes mimicking DNA (6-4) photoproducts. Both electrochemical oxidation and electrochemical reduction at carbon electrodes lead to the cleavage of the oxetanes in a retro-Parerno-Buchi sequence.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2006
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