Insights into Early Steps of Decanoic Acid Self-Assemblies under Prebiotic Temperatures Using Molecular Dynamics Simulations

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dc.contributor.authorSepulveda, Romina V.
dc.contributor.authorSbarbaro, Christopher
dc.contributor.authorOpazo, Ma Cecilia
dc.contributor.authorDuarte, Yorley
dc.contributor.authorGonzález-Nilo, Fernando
dc.contributor.authorAguayo, Daniel
dc.date.accessioned2023-08-21T17:40:11Z
dc.date.available2023-08-21T17:40:11Z
dc.date.issued2023-04
dc.descriptionIndexación: Scopuses
dc.description.abstractThe origin of life possibly required processes in confined systems that facilitated simple chemical reactions and other more complex reactions impossible to achieve under the condition of infinite dilution. In this context, the self-assembly of micelles or vesicles derived from prebiotic amphiphilic molecules is a cornerstone in the chemical evolution pathway. A prime example of these building blocks is decanoic acid, a short-chain fatty acid capable of self-assembling under ambient conditions. This study explored a simplified system made of decanoic acids under temperatures ranging from 0 °C to 110 °C to replicate prebiotic conditions. The study revealed the first point of aggregation of decanoic acid into vesicles and examined the insertion of a prebiotic-like peptide in a primitive bilayer. The information gathered from this research provides critical insights into molecule interactions with primitive membranes, allowing us to understand the first nanometric compartments needed to trigger further reactions that were essential for the origin of life. © 2023 by the authors.es
dc.description.urihttps://www.mdpi.com/2077-0375/13/5/469
dc.identifier.citationMembranes Volume 13, Issue 5May 2023 Article number 469es
dc.identifier.doi10.3390/membranes13050469
dc.identifier.issn2077-0375
dc.identifier.urihttps://repositorio.unab.cl/xmlui/handle/ria/52677
dc.language.isoenes
dc.publisherMDPIes
dc.rights.licenseAtribución 4.0 Internacional (CC BY 4.0)
dc.rights.urihttps://creativecommons.org/licenses/by/4.0/deed.es
dc.subjectDecanoic acidses
dc.subjectMolecular dynamics simulationses
dc.subjectPeptide–membrane interactionses
dc.subjectPrebiotic membraneses
dc.titleInsights into Early Steps of Decanoic Acid Self-Assemblies under Prebiotic Temperatures Using Molecular Dynamics Simulationses
dc.typeArtículoes
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