Cited by 144Origins and Evolution of LifeAdvanced Physical and Chemical Molecular InteractionsChemical Reaction Mechanisms

Formamide reaction network in gas phase and solution via a unified theoretical approach: Toward a reconciliation of different prebiotic scenarios

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Pietrucci, Fabio, Saitta, Antonino Marco·2015·Proceedings of the National Academy of Sciences

Abstract

Significance: The qualitative and quantitative description of chemical reactions is a formidable problem. Determining pathways, energetics, and kinetics requires costly accurate quantum approaches. Typically, this amounts to a simplification of gas-phase reactions into elementary steps, which, in turn, are usually directly translated in solution. The topology-based method hereby presented allows instead an unbiased exploration of both gas-phase and aqueous-phase reactions. Its application to formamide, a centerpiece of prebiotic chemistry, unveils very different reaction networks between gas and solution regimes, indicating, in the liquid phase, new pathways, intermediates, and products. The new scheme allows us also to demonstrate the comparable relative stability of formamide, hydrogen cyanide, and formic acid, thus contributing insight to a heated current debate in the prebiotic chemistry community.

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Crossref · 10.1073/pnas.1512486112

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2 of 2 references verified0 citation errors · 0 not checkable

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  • Formamide and HCN are interconnected through a hydrolytic/dehydration process, which could have allowed alternating between both through a cycling physical process such as wetting-drying cycles.

    “Their methods of synthesis, abundance in the universe and reactivities are actually similar, mostly because they are interconnected through a hydrolytic/dehydration process (see Scheme 6),86 which could have allowed alternating between both through some kind of cycling physical process (e.g., wetting-drying cycles as a consequences of geological events).”

    From The protometabolic nature of prebiotic chemistry (2023) · cites this paper as [86]

  • Compared with HCN, formamide yields a wider variety of prebiotic biomolecules because the presence of oxygen allows an interplay of oxygenous and nitrogenous reactive species that is not possible in HCN oligomerization alone.

    “In comparison to the chemistry of HCN, the reasons why formamide yields a wider variety of prebiotic biomolecules are diverse.84–89 The presence of oxygen in its structure allows an interplay of oxygenous and nitrogenous reactive species that is not possible in the HCN oligomerization alone.”

    From The protometabolic nature of prebiotic chemistry (2023) · cites this paper as [86]

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Authors
Pietrucci, F., & Saitta, A. M.
Affiliations
Centre National de la Recherche Scientifique (FR)
Corresponding author
Pietrucci, Fabio
Venue
Proceedings of the National Academy of Sciences
Published
2015-11-23
Volume
112
Issue
49
Pages
15030-15035
ISSN
  • 0027-8424 (ISSN-L)
  • 1091-6490
OpenAlex
W2254133415
Cited by
144
References
2
Citations by year
2026: 8 · 2025: 9 · 2024: 12 · 2023: 13 · 2022: 13 · 2021: 21 · 2020: 19 · 2019: 18 · 2018: 13 · 2017: 7 · 2016: 11
FWCI
5.88
Type
journal article
Language
en
Open access
Locations
  • Proceedings of the National Academy of Sciences (publishedVersion)
  • Europe PMC (PubMed Central) (publishedVersion)
  • PubMed Central (publishedVersion)
  • PubMed (publishedVersion)
Funders
  • Université Pierre et Marie Curie
  • Grand Équipement National De Calcul Intensif
Topics
  • Physical Sciences › Physics and Astronomy › Astronomy and Astrophysics › Origins and Evolution of Life
  • Physical Sciences › Chemistry › Physical and Theoretical Chemistry › Advanced Physical and Chemical Molecular Interactions
  • Physical Sciences › Chemistry › Organic Chemistry › Chemical Reaction Mechanisms
Keywords
formamide, prebiotic chemistry, reaction networks, hydrogen cyanide, reaction mechanism, solvent effects, gas-phase reactions, solution-phase reactions, metadynamics, collective variables, formic acid, ammonium formate, ab initio molecular dynamics
MeSH terms
Ammonia, Carbon Monoxide, Formamides, Formates, Solutions, Prebiotics

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