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

Sepulveda, Romina V.; Sbarbaro, Christopher; Opazo, Ma Cecilia; Duarte, Yorley; Gonzalez-Nilo, Fernando; Aguayo, Daniel

Abstract

The 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 degrees C to 110 degrees 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.

Más información

Título según WOS: ID WOS:000996637300001 Not found in local WOS DB
Título de la Revista: MEMBRANES
Volumen: 13
Número: 5
Editorial: MDPI
Fecha de publicación: 2023
DOI:

10.3390/membranes13050469

Notas: ISI