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Quantum Chemistry

Differential stabilization of adenine quartets by anions and cations.

PubMed
Authors: van der Wijst T, Lippert B, Swart M, Guerra CF, Bickelhaupt FM

Year

2010

Paper ID

12424

Status

Peer-reviewed

Abstract Read

~2 min

Abstract Words

110

Citations

18

Abstract

We have investigated the structures and stabilities of four different adenine quartets with alkali and halide ions in the gas phase and in water, using dispersion-corrected density functional theory at the BLYP-D/TZ2P level. First, we examine the empty quartets and how they interact with alkali cations and halide anions with formation of adenine quartet-ion complexes. Second, we examine the interaction in a stack, in which a planar adenine quartet interacts with a cation or anion in the periphery as well as in the center of the quartet. Interestingly, for the latter situation, we find that both cations and anions can stabilize a planar adenine quartet in a stack.

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  • We have investigated the structures and stabilities of four different adenine quartets with alkali and halide ions in the gas phase and in water, using dispersion-corrected...

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References & Citation Signals

[1] DOI https://doi.org/10.1007/s00775-009-0611-8 [2] Publisher https://pubmed.ncbi.nlm.nih.gov/19943071/

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