Numerical modeling vs experiment of formic acid and formate ion behavior under gamma radiation at several pH values: Implications on prebiotic chemistry.

Autor: Paredes-Arriaga A; Instituto de Ciencias Nucleares, Universidad Nacional Autónoma de México, Circuito Exterior s/n, Ciudad Universitaria, Coyoacán, CDMX, México.; Posgrado en Ciencias de la Tierra, Universidad Nacional Autónoma de México, Circuito Exterior s/n, Ciudad Universitaria, Coyoacán, CDMX, México., López-Islas A; Instituto de Ciencias Nucleares, Universidad Nacional Autónoma de México, Circuito Exterior s/n, Ciudad Universitaria, Coyoacán, CDMX, México., Frias D; Departamento de Ciências Exatas e da Terra, Universidade do Estado da Bahia (UNEB), Silveira Martins, Salvador, BA, Brazil., Rivera AL; Instituto de Ciencias Nucleares, Universidad Nacional Autónoma de México, Circuito Exterior s/n, Ciudad Universitaria, Coyoacán, CDMX, México.; Centro de Ciencias de la Complejidad, Universidad Nacional Autónoma de México, Circuito Exterior s/n, Ciudad Universitaria, Coyoacán, CDMX, México., Cordero-Tercero G; Instituto de Geofísica, Universidad Nacional Autónoma de México, Circuito Exterior s/n, Ciudad Universitaria, Coyoacán, CDMX, México., Ramos-Bernal S; Instituto de Ciencias Nucleares, Universidad Nacional Autónoma de México, Circuito Exterior s/n, Ciudad Universitaria, Coyoacán, CDMX, México., Negrón-Mendoza A; Instituto de Ciencias Nucleares, Universidad Nacional Autónoma de México, Circuito Exterior s/n, Ciudad Universitaria, Coyoacán, CDMX, México.
Jazyk: angličtina
Zdroj: PloS one [PLoS One] 2024 Dec 12; Vol. 19 (12), pp. e0315409. Date of Electronic Publication: 2024 Dec 12 (Print Publication: 2024).
DOI: 10.1371/journal.pone.0315409
Abstrakt: Formic acid is consistently produced and detected in prebiotic chemistry experiments, constituting a precursor of many carboxylic acids and amino acids. Its behavior with exposure to gamma radiation varies with the pH and solution concentration. This work aimed to model different environmental conditions for formic acid under ionizing radiation using a system of coupled differential equations based on chemical kinetics. An ensemble of radiolysis reaction mechanisms was generated for formic acid at pH 1.5 and formate ion at pH 9, both with radiation doses from 0 to 2 kGy. This was also done for systems with both species in equilibrium, using high molar concentrations, long irradiation times, and large irradiation doses (from 0 to 70 kGy). The results show that these systems can be modeled with a high statistical relationship between the computed solutions and the experimental data; furthermore, the synthesis and degradation of the radiolysis products can be followed. Another dimension of the issue of prebiotic environments was explored using ionizing radiation and analyzing the reactions at various pH values (acidic to basic media). These models allow one to gain insights into the behavior of molecules that are difficult to detect or analyze in the laboratory. Additionally, they offer the possibility of studying potential prebiotic environments.
Competing Interests: The authors have declared that no competing interests exist.
(Copyright: © 2024 Paredes-Arriaga et al. This is an open access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.)
Databáze: MEDLINE
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