Acetylene as an essential building block for prebiotic formation of pyrimidine bases on Titan

Physical Chemistry Chemical Physics : PCCP
Yassin A JeilaniMinh Tho Nguyen

Abstract

Prebiotic building blocks for the formation of biomolecules are important in understanding the abiotic origin of biomolecules. However, there is a limited choice of the building blocks as precursors for the biomolecules. Acetylene (HCCH) is found in Titan's atmosphere and is an abiotic-precursor of pyrimidine bases. HCCH reacts with urea to form both cytosine and uracil. The mechanisms for the formation of both cytosine and uracil were studied by density functional theory at B3LYP/6-311G(d,p) level. Ethynyl radicals (˙CCH) are relevant for the chemistry of Titan's atmosphere therefore both HCCH and ˙CCH were evaluated as carbon sources. The pathways, for both HCCH and ˙CCH, lead to intermediates with an unsaturated-group that facilitate the formation of the six-membered ring of the pyrimidine bases. The predicted structures for cytosine and uracil were compared with labeled cytosine and uracil that were formed from the reaction of DCCD with urea. The results suggest that cytosine is formed from HCCH while uracil is formed from ˙CCH. The mechanisms are energetically feasible and there is no conclusive evidence for the preferred pathway (HCCH or ˙CCH). The pathways were further extended for the formation of both uric acid and 8-o...Continue Reading

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Citations

May 26, 2016·Physical Chemistry Chemical Physics : PCCP·Yassin Aweis JeilaniMinh Tho Nguyen
Jan 26, 2018·Physical Chemistry Chemical Physics : PCCP·Mayank Saraswat, Sugumar Venkataramani
Dec 4, 2020·The Journal of Physical Chemistry. B·Yassin Aweis Jeilani, Minh Tho Nguyen

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