Cargando…

The Effects of Iron on In Silico Simulated Abiotic Reaction Networks

Iron is one of the most abundant elements in the Universe and Earth’s surfaces, and undergoes a redox change of approximately 0.77 mV in changing between its +2 and +3 states. Many contemporary terrestrial organisms are deeply connected to inorganic geochemistry via exploitation of this redox change...

Descripción completa

Detalles Bibliográficos
Autores principales: Shahi, Sahil Rajiv, Cleaves, H. James
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9787479/
https://www.ncbi.nlm.nih.gov/pubmed/36558002
http://dx.doi.org/10.3390/molecules27248870
_version_ 1784858521564610560
author Shahi, Sahil Rajiv
Cleaves, H. James
author_facet Shahi, Sahil Rajiv
Cleaves, H. James
author_sort Shahi, Sahil Rajiv
collection PubMed
description Iron is one of the most abundant elements in the Universe and Earth’s surfaces, and undergoes a redox change of approximately 0.77 mV in changing between its +2 and +3 states. Many contemporary terrestrial organisms are deeply connected to inorganic geochemistry via exploitation of this redox change, and iron redox reactions and catalysis are known to cause significant changes in the course of complex abiotic reactions. These observations point to the question of whether iron may have steered prebiotic chemistry during the emergence of life. Using kinetically naive in silico reaction modeling we explored the potential effects of iron ions on complex reaction networks of prebiotic interest, namely the formose reaction, the complexifying degradation reaction of pyruvic acid in water, glucose degradation, and the Maillard reaction. We find that iron ions produce significant changes in the connectivity of various known diversity-generating reaction networks of proposed prebiotic significance, generally significantly diversifying novel molecular products by ~20%, but also adding the potential for kinetic effects that could allow iron to steer prebiotic chemistry in marked ways.
format Online
Article
Text
id pubmed-9787479
institution National Center for Biotechnology Information
language English
publishDate 2022
publisher MDPI
record_format MEDLINE/PubMed
spelling pubmed-97874792022-12-24 The Effects of Iron on In Silico Simulated Abiotic Reaction Networks Shahi, Sahil Rajiv Cleaves, H. James Molecules Article Iron is one of the most abundant elements in the Universe and Earth’s surfaces, and undergoes a redox change of approximately 0.77 mV in changing between its +2 and +3 states. Many contemporary terrestrial organisms are deeply connected to inorganic geochemistry via exploitation of this redox change, and iron redox reactions and catalysis are known to cause significant changes in the course of complex abiotic reactions. These observations point to the question of whether iron may have steered prebiotic chemistry during the emergence of life. Using kinetically naive in silico reaction modeling we explored the potential effects of iron ions on complex reaction networks of prebiotic interest, namely the formose reaction, the complexifying degradation reaction of pyruvic acid in water, glucose degradation, and the Maillard reaction. We find that iron ions produce significant changes in the connectivity of various known diversity-generating reaction networks of proposed prebiotic significance, generally significantly diversifying novel molecular products by ~20%, but also adding the potential for kinetic effects that could allow iron to steer prebiotic chemistry in marked ways. MDPI 2022-12-13 /pmc/articles/PMC9787479/ /pubmed/36558002 http://dx.doi.org/10.3390/molecules27248870 Text en © 2022 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Shahi, Sahil Rajiv
Cleaves, H. James
The Effects of Iron on In Silico Simulated Abiotic Reaction Networks
title The Effects of Iron on In Silico Simulated Abiotic Reaction Networks
title_full The Effects of Iron on In Silico Simulated Abiotic Reaction Networks
title_fullStr The Effects of Iron on In Silico Simulated Abiotic Reaction Networks
title_full_unstemmed The Effects of Iron on In Silico Simulated Abiotic Reaction Networks
title_short The Effects of Iron on In Silico Simulated Abiotic Reaction Networks
title_sort effects of iron on in silico simulated abiotic reaction networks
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9787479/
https://www.ncbi.nlm.nih.gov/pubmed/36558002
http://dx.doi.org/10.3390/molecules27248870
work_keys_str_mv AT shahisahilrajiv theeffectsofirononinsilicosimulatedabioticreactionnetworks
AT cleaveshjames theeffectsofirononinsilicosimulatedabioticreactionnetworks
AT shahisahilrajiv effectsofirononinsilicosimulatedabioticreactionnetworks
AT cleaveshjames effectsofirononinsilicosimulatedabioticreactionnetworks