On the geometry and electronic structure of the As-DNA backbone

Arnošt Mládek, Jiří Šponer, Bobby G. Sumpter, Miguel Fuentes-Cabrera, Judit E. Šponer

Research output: Contribution to journalArticlepeer-review

10 Scopus citations

Abstract

High-level quantum chemical calculations have been applied to investigate the geometry and electronic properties of the arsenate analogue of the DNA backbone. The optimized geometries as well as hyperconjugation effects along the C3′-O3′-X-O5′-C5′ linkage (X = P,As) exhibit a remarkable similarity for both arsenates and phosphates. This suggests that arsenates, if present, might serve as a potential substitute for phosphates in the DNA backbone.

Original languageEnglish
Pages (from-to)389-392
Number of pages4
JournalJournal of Physical Chemistry Letters
Volume2
Issue number5
DOIs
StatePublished - Mar 3 2011

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