ArticleChemical science2020
Mechanochemical synthesis of glycine oligomers in a virtual rotational diamond anvil cell.
Article in Chemical science, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 5 papers.
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Who cites it
5 citing papers in PubMed, 40 citations in OpenAlex.
- Prebiotic Roles of Formaldehyde as an Activating Agent and a Building Block in Solid-State Peptide Modification.ACS bio & med chem Au · 2025Article
- Quantum Simulations of Radiation Damage in a Molecular Polyethylene Analog.Macromolecular rapid communications · 2024Article
- Tensorial stress-plastic strain fields in α - ω Zr mixture, transformation kinetics, and friction in diamond-anvil cell.Nature communications · 2023Article
- Frontiers in Prebiotic Chemistry and Early Earth Environments.Origins of life and evolution of the biosphere : the journal of the International Society for the Study of the Origin of Life · 2022Article
- Tribochemistry, Mechanical Alloying, Mechanochemistry: What is in a Name?Frontiers in chemistry · 2021Review
Corrections and comments
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Authors and funding
4 authors at 1 institution in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Mechanochemistry of glycine under compression and shear at room temperature is predicted using quantum-based molecular dynamics (QMD) and a simulation design based on rotational diamond anvil cell (RDAC) experiments. Ensembles of high throughput semiempirical density functional tight binding (DFTB) simulations are used to identify chemical trends and bounds for glycine chemistry during rapid shear under compressive loads of up to 15.6 GPa. Significant chemistry is found to occur during compressive shear above 10 GPa. Recovered products consist of small molecules such as water, structural analogs to glycine, heterocyclic molecules, large oligomers, and polypeptides including the simplest polypeptide glycylglycine at up to 4% mass fraction. The population and size of oligomers generally increases with pressure. A number of oligomeric polypeptide precursors and intermediates are also identified that consist of two or three glycine monomers linked together through C-C, C-N, and/or C-O bridges. Even larger oligomers also form that contain peptide C-N bonds and exhibit branched structures. Many of the product molecules exhibit one or more chiral centers. Our simulations demonstrate that athermal mechanical compressive shearing of glycine is a plausible prebiotic route to forming polypeptides.
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Registered trials
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