B-DNA model systems in non-terran bio-solvents: Implications for structure, stability and replication

Trevor A. Hamlin, Jordi Poater*, Célia Fonseca Guerra, F. Matthias Bickelhaupt

*Corresponding author for this work

Research output: Contribution to JournalArticleAcademicpeer-review

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Abstract

We have computationally analyzed a comprehensive series of Watson-Crick and mismatched B-DNA base pairs, in the gas phase and in several solvents, including toluene, chloroform, ammonia, methanol and water, using dispersion-corrected density functional theory and implicit solvation. Our analyses shed light on how the molecular-recognition machinery behind life's genetic code depends on the medium, in order to contribute to our understanding of the possibility or impossibility for life to exist on exoplanetary bodies. Calculations show how a common non-terran environment like ammonia, less polar than water, exhibits stronger hydrogen-bonding affinities, although showing reduced selectivities towards the correct incorporation of Watson-Crick base pairs into the backbone. Thus, we prove the viability of DNA replication in a non-terran environment.

Original languageEnglish
Pages (from-to)16969-16978
Number of pages10
JournalPhysical Chemistry Chemical Physics - PCCP
Volume2017
Issue number26
Early online date24 Apr 2017
DOIs
Publication statusPublished - 2017

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