Login / Signup

Unravelling the prebiotic origins of the simplest α-ketoacids in cometary ices: a computational investigation.

Soumya Ranjan DashRinu PandyaGeetika SinghHimanshu SharmaTamal DasHritwik HaldarSrinivas HothaKumar Vanka
Published in: Chemical communications (Cambridge, England) (2024)
We have employed the ab initio nanoreactor (AINR) and DFT calculations to explore how the soft impact of comets entering early earth's dense atmosphere could induce chemical reactions in trapped interstellar ice components, leading to the origin of glyoxylic and pyruvic acids the simplest α-ketoacids essential for prebiotic metabolic cycles.
Keyphrases
  • density functional theory
  • molecular dynamics
  • molecular dynamics simulations
  • molecular docking
  • monte carlo