Abstract
According to synthonic theory of the formation of proteinogenic amino acids and of corresponding polypeptides, starting from three synthons (methylene, nitrene and carbon monoxide), four proteinogenic amino acids have been constructed: valine, leucine, isoleucine and methionine. This paper represents a theoretical, thermodynamic and reactivity study on the formation of the four previously mentioned amino acids at low temperatures. All the intermediates involved in the formation of these amino acids as well as the final products obtained by contact with water, an essential component of the Earth`s primary atmosphere, are specified. Quantitative data, formation enthalpies, reaction enthalpies and free energies were obtained in principle by DTF (B88-LYP) calculations.
Highlights
According to the synthon theory [1,2,3] on the formation of proteinogenic amino acids and of corresponding polypeptides at low temperatures, aziridinone would have been formed from three synthons: methylene, nitrene and carbon monoxide
In previous works [6, 7], we have shown how the following proteinogenic amino acids can be obtained: glycine, alanine, serine, cysteine, aspartic acid, asparagine and threonine
The C-methyl-aziridinonyl radical is intermediate, a starting point for all four proteinogenic amino acids studied in this work
Summary
According to the synthon theory [1,2,3] on the formation of proteinogenic amino acids and of corresponding polypeptides at low temperatures, aziridinone would have been formed from three synthons: methylene, nitrene and carbon monoxide This one, in contact with these three synthons, somewhere outside the Earth's atmosphere, would form the precursor of radical structures. Among the many reactions that would form the aforementioned amino acids, we chose those “open shell” transformations, which involve radical intermediates and photochemical-radical reaction pathways In these transformations, we have a continuous decrease of the energies of the reaction systems in the transitions from the initial products to the final reaction products. The computational part used is the Cache Work System Library, version 7.5.0.85 [10]
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