Simulation of Capsule Formation from Amino Acid ThermalHeterocomplex Polymers by Autocatalytic Reaction Mechanism

IF 0.1 Q4 CHEMISTRY, MULTIDISCIPLINARY
S. Ito, S. Sakurazawa
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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.
氨基酸热杂络合物自催化反应机理模拟胶囊形成
氨基酸热杂络合物分子是由氨基酸热聚合合成的原始大分子。氨基酸热杂络合物分子微球响应周围环境的变化形成囊状,但其机制尚不清楚。本研究假设氨基酸热杂络合物分子的自催化性质是胶囊形成的主要因素,并将自催化簇形成机制整合到布朗动力学中,并试图对其进行验证。澄清的是,当纳入集群形成时,形成了高密度区域。这一结果表明,高密度区域的簇进一步生长,形成胶囊状结构。由此可见,氨基酸热杂合分子作为一种原始大分子,具有形成物理隔室的功能,这被认为是促成生命起源的原因之一,它来源于氨基酸热杂合分子的自催化缔合过程。
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来源期刊
Journal of Computer Chemistry-Japan
Journal of Computer Chemistry-Japan CHEMISTRY, MULTIDISCIPLINARY-
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