Abstract
Three synthons: methylene, nitrene and carbon monoxide form aziridinone in the presence of molecular nitrogen at low temperatures. This one, in contact with the same three synthons could form the precursors of the first proteinogenic amino acids. This paper is a theoretical, thermodynamically and reactivity study concerning the formation of the three previously named amino acids at low temperature conditions. The key intermediates are identified in the formation of the three amino acids: aziridinone, aziridinonil and methyl-aziridinonil radicals. The quantitative results, enthalpies of formation, reaction enthalpies and free energies were taken from quantum mechanical calculations acquired by density functional method (DFT): B88-LYP.
Highlights
In previous papers [1, 2] we have shown that three syntons: methylene, nitrene and carbon monoxide at low temperature in molecular nitrogen could form aziridinone, a key compound in the formation of the first proteinogenic amino acids and of the first polypeptides
The chemical transformations that start with combining of the three syntons previously named and that end with the formation of proteinogenic amino acids precursors should produce only through cascade pattern [3,4,5,6] seemingly without transition states, reactions that involve a continuous decreasing of reactions systems energies, which are involved in the transition from initial states to final states
Several conclusions can be highlighted: - Formation of the three proteinogenic amino acids: glycine, alanine and serine can occur through aziridinone. -Aziridinone, the most likely can be obtained starting from the three syntons: methylene, nitrene and carbon monoxide, first by forming of ketene, which will react with nitrene
Summary
Three synthons: methylene, nitrene and carbon monoxide form aziridinone in the presence of molecular nitrogen at low temperatures This one, in contact with the same three synthons could form the precursors of the first proteinogenic amino acids. In previous papers [1, 2] we have shown that three syntons: methylene, nitrene and carbon monoxide at low temperature in molecular nitrogen could form aziridinone, a key compound in the formation of the first proteinogenic amino acids and of the first polypeptides. The chemical transformations that start with combining of the three syntons previously named and that end with the formation of proteinogenic amino acids precursors should produce only through cascade pattern [3,4,5,6] seemingly without transition states, reactions that involve a continuous decreasing of reactions systems energies, which are involved in the transition from initial states to final states. In this paper we present the thermodynamic data and theoretical study of reactions by which can be obtained three nonessential proteinogenic amino acids [7]: glycine, alanine and serine
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