Emergence Simulation of Biological Cell-like Shapes Satisfying the Conditions of Life Using a Lattice-Type Multiset Chemical Model

SIMPLE SUMMARY: One of the great challenges in science is determining when, where, why, and how life first arose as well as the form taken by this life. In the present study, life was assumed to be (1) bounded, (2) replicating, (3) able to inherit information, and (4) able to metabolize energy. The various existing hypotheses provide little explanation of how these four conditions for life were established. Indeed, “how” a chemical process that simultaneously satisfies all four conditions emerged after the materials for life were in place is not always clear. In this study, a multiset chemical lattice model, which allows for virtual molecules of multiple types to be placed in each cell on a two-dimensional space, was considered. Using only the processes of molecular diffusion, reaction, and polymerization and modeling the chemical reactions of 15 types of molecules and 2 types of polymerized molecules, as well as using the morphogenesis rule of the Turing model, the process of emergence of a cell-like form with all three conditions except evolution ability was modeled and demonstrated. ABSTRACT: Although numerous reports using methods such as molecular dynamics, cellular automata, and artificial chemistry have clarified the process connecting non-life and life on protocell simulations, none of the models could simultaneously explain the emergence of cell shape, continuous self-replication, and replication control solely from molecular reactions and diffusion. Herein, we developed a model to generate all three conditions, except evolution ability, from hypothetical chains of chemical and molecular polymerization reactions. The present model considers a 2D lattice cell space, where virtual molecules are placed in each cell, and molecular reactions in each cell are based on a multiset rewriting rule, indicating stochastic transition of molecular species. The reaction paths of virtual molecules were implemented by replacing the rules of cellular automata that generate Turing patterns with molecular reactions. The emergence of a cell-like form with all three conditions except evolution ability was modeled and demonstrated using only molecular diffusion, reaction, and polymerization for modeling the chemical reactions of 15 types of molecules and 2 types of polymerized molecules. Furthermore, controlling self-replication is possible by changing the initial arrangement of a specific molecule. In summary, the present model is capable of investigating and refining existing hypotheses on the emergence of life.