{"title":"Simulation of Capsule Formation from Amino Acid ThermalHeterocomplex Polymers by Autocatalytic Reaction Mechanism","authors":"S. Ito, S. Sakurazawa","doi":"10.2477/jccj.2020-0027","DOIUrl":null,"url":null,"abstract":"Amino acid thermal heterocomplex molecules are primitive macromolecules synthesized by thermally polymer-izing amino acids. Amino acid thermal heterocomplex molecules microspheres form capsules in response to changes in the surrounding environment, but the mechanism has not been clarified. In this study, we hypothesized that the auto catalytic properties of amino acid thermal heterocomplex molecules is a main factor in capsule formation and integrated a self- catalytic cluster formation mechanism into Brownian dynamics and tried to verify it. It was clarified that when cluster formation was incorporated, high-density regions were formed. this result suggests that the clusters in the high-density region grow further to form a capsule-like structure. From this result, amino acid thermal heterocomplex molecules, which is primitive macromolecules, has the function of the formation of physical compartment that is thought to have contributed to the origin of life, which is derived from the autocatalytic association process of the amino acid thermal heterocomplex molecules.","PeriodicalId":41909,"journal":{"name":"Journal of Computer Chemistry-Japan","volume":"205 1","pages":""},"PeriodicalIF":0.1000,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Computer Chemistry-Japan","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.2477/jccj.2020-0027","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0
Abstract
Amino acid thermal heterocomplex molecules are primitive macromolecules synthesized by thermally polymer-izing amino acids. Amino acid thermal heterocomplex molecules microspheres form capsules in response to changes in the surrounding environment, but the mechanism has not been clarified. In this study, we hypothesized that the auto catalytic properties of amino acid thermal heterocomplex molecules is a main factor in capsule formation and integrated a self- catalytic cluster formation mechanism into Brownian dynamics and tried to verify it. It was clarified that when cluster formation was incorporated, high-density regions were formed. this result suggests that the clusters in the high-density region grow further to form a capsule-like structure. From this result, amino acid thermal heterocomplex molecules, which is primitive macromolecules, has the function of the formation of physical compartment that is thought to have contributed to the origin of life, which is derived from the autocatalytic association process of the amino acid thermal heterocomplex molecules.