TY - JOUR
T1 - B-DNA model systems in non-terran bio-solvents
T2 - Implications for structure, stability and replication
AU - Hamlin, Trevor A.
AU - Poater, Jordi
AU - Fonseca Guerra, Célia
AU - Bickelhaupt, F. Matthias
PY - 2017
Y1 - 2017
N2 - 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.
AB - 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.
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U2 - 10.1039/c7cp01908d
DO - 10.1039/c7cp01908d
M3 - Article
AN - SCOPUS:85024490735
SN - 1463-9076
VL - 2017
SP - 16969
EP - 16978
JO - Physical Chemistry Chemical Physics - PCCP
JF - Physical Chemistry Chemical Physics - PCCP
IS - 26
ER -