Journal of Computer Chemistry, Japan
Online ISSN : 1347-3824
Print ISSN : 1347-1767
ISSN-L : 1347-1767
General Paper
Simulation of Capsule Formation from Amino Acid ThermalHeterocomplex Polymers by Autocatalytic Reaction Mechanism
Shunsuke ITOShigeru SAKURAZAWA
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2021 Volume 20 Issue 1 Pages 10-13


Amino acid thermal heterocomplex molecules are primitive macromolecules synthesized by thermally polymerizing 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 autocatalytic 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.

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© 2021 Society of Computer Chemistry, Japan
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