Does silica surface catalyse peptide bond formation? New insights from first-principles calculations.

@article{Rimola2006DoesSS,
  title={Does silica surface catalyse peptide bond formation? New insights from first-principles calculations.},
  author={Albert Rimola and Sergio Tosoni and Mariona Sodupe and Piero Ugliengo},
  journal={Chemphyschem : a European journal of chemical physics and physical chemistry},
  year={2006},
  volume={7 1},
  pages={157-63}
}
The role that silica surface could have played in prebiotic chemistry as a catalyst for peptide bond formation has been addressed at the B3LYP/6-31+G(d,p) level for a model reaction involving glycine and ammonia on a silica cluster mimicking an isolated terminal silanol group present at the silica surface. Hydrogen-bond complexation between glycine and the silanol is followed by the formation of the mixed surface anhydride Si(surf)-O-C(=O)-R, which has been suggested in the literature to… CONTINUE READING