The search for the chemical origins of life represents a long-standing and continuously debated enigma. Despite its exceptional complexity, in the last decades the field has experienced a revival, also owing to the exponential growth of the computing power allowing for efficiently simulating the behavior of matter-including its quantum nature-under disparate conditions found, e.g., on the primordial Earth and on Earth-like planetary systems (i.e., exoplanets). In this minireview, we focus on some advanced computational methods capable of efficiently solving the Schro¨dinger equation at different levels of approximation (i.e., density functional theory)-such as ab initio molecular dynamics-and which are capable to realistically simulate the behavior of matter under the action of energy sources available in prebiotic contexts. In addition, recently developed metadynamics methods coupled with first-principles simulations are here reviewed and exploited to answer to old enigmas and to propose novel scenarios in the exponentially growing research field embedding the study of the chemical origins of life.

• Klíčová slova
• ab initio molecular dynamics, astrobiology, density functional theory, metadynamics, origins of life, prebiotic chemistry,
• Publikační typ
• časopisecké články MeSH
• přehledy MeSH

Molecular Darwinian evolution is an intrinsic property of reacting pools of molecules resulting in the adaptation of the system to changing conditions. It has no a priori aim. From the point of view of the origin of life, Darwinian selection behavior, when spontaneously emerging in the ensembles of molecules composing prebiotic pools, initiates subsequent evolution of increasingly complex and innovative chemical information. On the conservation side, it is a posteriori observed that numerous biological processes are based on prebiotically promptly made compounds, as proposed by the concept of Chemomimesis. Molecular Darwinian evolution and Chemomimesis are principles acting in balanced cooperation in the frame of Systems Chemistry. The one-pot synthesis of nucleosides in radical chemistry conditions is possibly a telling example of the operation of these principles. Other indications of similar cases of molecular evolution can be found among biogenic processes.

• Klíčová slova
• Chemomimesis, Molecular Darwinism, origin of life, systems chemistry,
• Publikační typ
• časopisecké články MeSH
• přehledy MeSH

A short history of Campbell's primordial soup: In this essay we try to disclose some of the historical connections between the studies that have contributed to our current understanding of the emergence of catalytic RNA molecules and their components from an inanimate matter.

• Klíčová slova
• RNA, nucleosides, nucleotides, oligonucleotides, prebiotic chemistry,
• MeSH
• nukleosidy chemie   MeSH
• nukleotidy chemie   MeSH
• prebiotika * MeSH
• ribozomy metabolismus   MeSH
• RNA katalytická metabolismus   MeSH
• RNA metabolismus   MeSH
• Publikační typ
• časopisecké články MeSH
• práce podpořená grantem MeSH
• přehledy MeSH
• Názvy látek
• nukleosidy MeSH
• nukleotidy MeSH
• prebiotika * MeSH
• RNA katalytická MeSH
• RNA MeSH