Statistics – Computation
Scientific paper
Apr 2008
adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2008oleb...38..183j&link_type=abstract
Origins of Life and Evolution of Biospheres, Volume 38, Issue 2, pp.183-191
Statistics
Computation
Density Functional Computational Study, Formaldehyde, Glycine, Nonenzymatic Browning Reaction, Gaseous Phase Interstellar Medium
Scientific paper
The possibility of the occurrence of the nonenzymatic browning reaction in the gaseous phase in the interstellar medium has been investigated by using Density Functional Theory computations. Mechanisms for the reactions between formaldehyde ( Fald) + glycine ( Gly), Fald + NH 3 and Fald + methylamine ( MeAm) have been proposed, and the possibility of the formation of different compounds in the proposed mechanisms has been evaluated through calculating the Gibb's free energy changes for different steps of the reaction, by following the total mass balance. The Fald + Gly reaction under basic conditions is found as the most favorable for producing 1-methyl-amino methene or 1-methyl-amino methelene ( MAM). The reaction under acidic conditions is found to be the least favorable for producing MAM. The Fald + NH 3 reaction is found to be plausible for the production of MeAm, which can participate by reaction with Fald, resulting in the formation of MAM.
Jalbout Abraham F.
Shipar Abul Haider M.
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