Predicting Prebiotic Origins of Polypeptides and Solid-State Chemistry on Titan

This project will utilize quantum mechanical calculations to evaluate two bold hypotheses concerning hydrogen cyanide (HCN)´s role in prebiotic chemistry.

Our investigation will focus on whether hydrolysis of HCN-based polymers could enable the abiotic formation of polypeptides—key components in the machinery of life whose origins remain unexplained.

Furthermore, we will predict whether HCN´s solid-state lattice can support chemical reactions at cryogenic temperatures, which might impact astrochemistry on planetary scales.

Spanning five years, this research will leverage a first of its kind combination of state-of-the-art quantum chemistry, crystal structure prediction and surface chemistry modelling to evaluate reaction pathways that may be of importance to the origin of life.

Computational assessment of specific reaction hypotheses is here ideal because it provides mechanistic insight, while enabling us to evaluate principal feasibility in the absence of experimental limitations, such as time and reaction yield. This research will proceed in collaboration with planetary scientists and experts in cryogenic experimentation.

Its importance is especially pronounced within the context of Saturn’s moon Titan, an exoplanet and early-Earth proxy targeted by NASA’s upcoming Dragonfly mission.