Insights into Early Steps of Decanoic Acid Self-Assemblies under Prebiotic Temperatures Using Molecular Dynamics Simulations
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...
| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
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MDPI AG
2023-04-01
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| Series: | Membranes |
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| Online Access: | https://www.mdpi.com/2077-0375/13/5/469 |
| _version_ | 1797599148178931712 |
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| author | Romina V. Sepulveda Christopher Sbarbaro Ma Cecilia Opazo Yorley Duarte Fernando González-Nilo Daniel Aguayo |
| author_facet | Romina V. Sepulveda Christopher Sbarbaro Ma Cecilia Opazo Yorley Duarte Fernando González-Nilo Daniel Aguayo |
| author_sort | Romina V. Sepulveda |
| collection | DOAJ |
| description | 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 °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. |
| first_indexed | 2024-03-11T03:30:38Z |
| format | Article |
| id | doaj.art-b04f9b512f934ba2b1f71bc973331f4f |
| institution | Directory Open Access Journal |
| issn | 2077-0375 |
| language | English |
| last_indexed | 2024-03-11T03:30:38Z |
| publishDate | 2023-04-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Membranes |
| spelling | doaj.art-b04f9b512f934ba2b1f71bc973331f4f2023-11-18T02:23:49ZengMDPI AGMembranes2077-03752023-04-0113546910.3390/membranes13050469Insights into Early Steps of Decanoic Acid Self-Assemblies under Prebiotic Temperatures Using Molecular Dynamics SimulationsRomina V. Sepulveda0Christopher Sbarbaro1Ma Cecilia Opazo2Yorley Duarte3Fernando González-Nilo4Daniel Aguayo5Center for Bioinformatics and Integrative Biology, Facultad de Ciencias de la Vida, Universidad Andres Bello, Av. República 330, Santiago 8370146, ChileCenter for Bioinformatics and Integrative Biology, Facultad de Ciencias de la Vida, Universidad Andres Bello, Av. República 330, Santiago 8370146, ChileInstituto de Ciencias Naturales, Facultad de Medicina Veterinaria y Agronomía, Universidad de Las Américas, Manuel Montt 948, Providencia 7500000, ChileCenter for Bioinformatics and Integrative Biology, Facultad de Ciencias de la Vida, Universidad Andres Bello, Av. República 330, Santiago 8370146, ChileCenter for Bioinformatics and Integrative Biology, Facultad de Ciencias de la Vida, Universidad Andres Bello, Av. República 330, Santiago 8370146, ChileCenter for Bioinformatics and Integrative Biology, Facultad de Ciencias de la Vida, Universidad Andres Bello, Av. República 330, Santiago 8370146, ChileThe 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.https://www.mdpi.com/2077-0375/13/5/469prebiotic membranesdecanoic acidspeptide–membrane interactionsmolecular dynamics simulations |
| spellingShingle | Romina V. Sepulveda Christopher Sbarbaro Ma Cecilia Opazo Yorley Duarte Fernando González-Nilo Daniel Aguayo Insights into Early Steps of Decanoic Acid Self-Assemblies under Prebiotic Temperatures Using Molecular Dynamics Simulations Membranes prebiotic membranes decanoic acids peptide–membrane interactions molecular dynamics simulations |
| title | Insights into Early Steps of Decanoic Acid Self-Assemblies under Prebiotic Temperatures Using Molecular Dynamics Simulations |
| title_full | Insights into Early Steps of Decanoic Acid Self-Assemblies under Prebiotic Temperatures Using Molecular Dynamics Simulations |
| title_fullStr | Insights into Early Steps of Decanoic Acid Self-Assemblies under Prebiotic Temperatures Using Molecular Dynamics Simulations |
| title_full_unstemmed | Insights into Early Steps of Decanoic Acid Self-Assemblies under Prebiotic Temperatures Using Molecular Dynamics Simulations |
| title_short | Insights into Early Steps of Decanoic Acid Self-Assemblies under Prebiotic Temperatures Using Molecular Dynamics Simulations |
| title_sort | insights into early steps of decanoic acid self assemblies under prebiotic temperatures using molecular dynamics simulations |
| topic | prebiotic membranes decanoic acids peptide–membrane interactions molecular dynamics simulations |
| url | https://www.mdpi.com/2077-0375/13/5/469 |
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