Assembly theory is used to map molecular and gene assembly pathways exploring evolutionary trajectories looking for novelty.

Here we show how a simple inorganic salt can spontaneously form autocatalytic sets of replicating inorganic molecules that work via molecular recognition based on the {PMo ₁₂ } ≡ [PMo ₁₂ O ₄₀ ] ^3– Keggin ion, and {Mo ₃₆ } ≡ [H ₃ Mo ₅₇ M ₆ (NO) ₆ O ₁₈₃ (H ₂ O) ₁₈ ] ^22– cluster. These small clusters are able to catalyze their own formation via an autocatalytic network, which subsequently template the assembly of gigantic molybdenum-blue wheel {Mo ₁₅₄ } ≡ [Mo ₁₅₄ O ₄₆₂ H ₁₄ (H ₂ O) ₇₀ ] ^14– , {Mo ₁₃₂ } ≡ [Mo ^VI ₇₂ Mo ^V ₆₀ O ₃₇₂ (CH ₃ COO) ₃₀ (H ₂ O) ₇₂ ] ^42– ball-shaped species containing 154 and 132 molybdenum atoms, and a {PMo ₁₂ }⊂{Mo ₁₂₄ Ce ₄ } ≡ [H ₁₆ Mo ^VI ₁₀₀ Mo ^V ₂₄ Ce ₄ O ₃₇₆ (H ₂ O) ₅₆ (PMo ^VI ₁₀ Mo ^V ₂ O ₄₀ )(C ₆ H ₁₂ N ₂ O ₄ S ₂ ) ₄ ] ^5– nanostructure. Kinetic investigations revealed key traits of autocatalytic systems including molecular recognition and kinetic saturation. A stochastic model confirms the presence of an autocatalytic network involving molecular recognition and assembly processes, where the larger clusters are the only products stabilized by the cycle, isolated due to a critical transition in the network.

Studying biochemical networks at a planetary scale reveals a deeper level of organization than what has been understood so far.

It is well known that life on Earth alters its environment over evolutionary and geological timescales. An important open question is whether this is a result of evolutionary optimization or a universal feature of life. In the latter case, the origin of life would be coincident with a shift in environmental conditions. Here we present a model for the emergence of life in which replicators are explicitly coupled to their environment through the recycling of a finite supply of resources. The model exhibits a dynamic, first-order phase transition from nonlife to life , where the life phase is distinguished by selection on replicators. We show that environmental coupling plays an important role in the dynamics of the transition. The transition corresponds to a redistribution of matter in replicators and their environment, driven by selection on replicators, exhibiting an explosive growth in diversity as replicators are selected. The transition is accurately tracked by the mutual information shared between replicators and their environment. In the absence of successfully repartitioning system resources, the transition fails to complete, leading to the possibility of many frustrated trials before life first emerges. Often, the replicators that initiate the transition are not those that are ultimately selected. The results are consistent with the view that life's propensity to shape its environment is indeed a universal feature of replicators, characteristic of the transition from nonlife to life. We discuss the implications of these results for understanding life's emergence and evolutionary transitions more broadly. Key Words: Origin of life—Prebiotic evolution—Astrobiology—Biopolymers—Life. Astrobiology 17, 266–276.

Cooperation is essential for evolution of biological complexity. Recent work has shown game theoretic arguments, commonly used to model biological cooperation, can also illuminate the dynamics of chemical systems. Here we investigate the types of cooperation possible in a real RNA system based on the Azoarcus ribozyme, by constructing a taxonomy of possible cooperative groups. We construct a computational model of this system to investigate the features of the real system promoting cooperation. We find triplet interactions among genotypes are intrinsically biased towards cooperation due to the particular distribution of catalytic rate constants measured empirically in the real system. For other distributions cooperation is less favored. We discuss implications for understanding cooperation as a driver of complexification in the origin of life.