Structural and Energetic Compatibility: The Driving Principles of Molecular Evolution

Area of Science:

• Origin of Life Studies
• Geochemistry
• Biochemistry

Background:

• Understanding the transition from non-living geochemistry to self-organizing biological systems is a fundamental question.
• Albert Eschenmoser posed a key question regarding this geochemical-to-biological organization bridge.

Purpose of the Study:

• To investigate the thermodynamic and entropic factors governing the formation of nucleotides and their oligomers.
• To propose a mechanism for the emergence of self-organization in primordial chemical systems.

Main Methods:

• Analysis of free-energy profiles for key prebiotic reactions.
• Evaluation of thermodynamic control versus entropic control in reaction pathways.

Main Results:

• The pathway to nucleotides is primarily energy-driven.
• The subsequent formation of nucleotide oligomers is significantly influenced by entropic control, specifically structural compatibility.
• Thermodynamics must align with intermolecular interactions for entropic control.

Conclusions:

• Emergence of self-organization in early geochemistry relies on structural compatibility.
• The birth of modern metabolism is facilitated by the interplay between reaction thermodynamics and stabilizing intermolecular forces.
• This work provides insights into the geochemical conditions enabling the transition to self-organizing systems.