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Glycine at the Water / Pyrite Interface Under Extreme Pressure / Temperature Conditions

  • C. Boehme
  • E. Schreiner
  • D. Marx
Conference paper

Abstract

We present ab initio molecular dynamics (MD) simulations of the simplest amino acid, glycine, at the water / pyrite interface under extreme pressure / temperature conditions. These simulations are aimed to contribute to the discussion of the “iron-sulfur world” (ISW) scenario, an intriguing proposal in the controversial field of “Origin of Life” research. The simulations show that glycine easily desorbs from a water / pyrite interface through hydrogen-bond assistance. The retention time is only of the order of a picosecond and the surface bonding is best understood as a relatively weak electrostatic interaction. However, we have found indications of glycine activation due to the interaction with the surface, and thus for a possible reaction with a suitable anchor molecule.

Keywords

Electron Localization Function Extreme Pressure Pyrite Surface Simple Amino Acid Free Electron Pair 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

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Copyright information

© Springer-Verlag Berlin Heidelberg 2005

Authors and Affiliations

  • C. Boehme
    • 1
  • E. Schreiner
    • 1
  • D. Marx
    • 1
  1. 1.Lehrstuhl für Theoretische ChemieRuhr-Universität BochumBochum

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