Sodium cation complexes theoretical studies

This chapter summarizes the results of experimental and theoretical studies on the interactions of nucleic acid bases with minerals, water and sodium cation. The computational study to some extent supported experimentally proposed Wachtershauser s cycle (the production of acetic acid from CO and CH3SH) [9]. It was shown that Fe-Ni-S surface model as catalyst can partially catalyze this reaction through the creation of different coordination complexes [138]. But synthesis of formic acid from CO2 and H2S in the presence of pyrite was shown to be endergonic under modeled conditions. The simulations show that this reaction pathway does not lead to sufficient amount of the product in isolated systems and the cycle can possibly operate at low rates. But to make the final conclusion about the rates, the kinetic study based on reaction rates needs to be performed and inclusion of conditions close to those that occurred on the early Earth, are required to confirm feasibility of studied prebiotic reactions. 

Heaton AL, Ye SJ, Armentrout PB. Experimental and theoretical studies of sodium cation complexes of the deamidation and dehydration products of asparagine, glutamine, aspartic acid, and glirtamic acid. J Phys Chem A. 2008 112 3328 38. 

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