WSEAS Transactions on Biology and Biomedicine
Print ISSN: 1109-9518, E-ISSN: 2224-2902
Volume 16, 2019
A Computational Study of a Prebiotic Synthesis of L-Threonine
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Abstract: The magnesium ion metalloporphyrin complex is shown to bind the ligands propyne nitrile and propynimine in weak van der Waals complexes on the metal and nitrogen sites. Further reaction of the bound propynimine with carbon monoxide which is also bound to the complex as a high energy compound whose particular structure has been dictated by the magnetic vector of the exciting radiation, occurs to give a substituted aziridine-3-one that may easily cyclise to a bicyclic complex. Addition reactions involving hydrogenation followed by the addition of a molecule of water yield a 3-hydroxyethyl bicyclo complex that can be hydrolysed to the unique amino acid, L-threonine. The reactions have been shown to be feasible from the overall enthalpy changes in the ZKE approximation at the HF and MP2 /6-31G* level, and with acceptable activation energies.
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Pages: 138-146
WSEAS Transactions on Biology and Biomedicine, ISSN / E-ISSN: 1109-9518 / 2224-2902, Volume 16, 2019, Art. #16