Miller experiments in atomistic computer simulations (Articolo in rivista)

Type

• Prodotto della ricerca (Classe)
• Articolo in rivista (Classe)

Label

• Miller experiments in atomistic computer simulations (Articolo in rivista) (literal)

Anno

• 2014-01-01T00:00:00+01:00 (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi

• 10.1073/pnas.1402894111 (literal)

Alternative label

• Saitta, Antonino Marco; Saija, Franz (2014)
  Miller experiments in atomistic computer simulations
  in Proceedings of the National Academy of Sciences of the United States of America; NATIONAL ACADEMY OF SCIENCES, WASHINGTON (Stati Uniti d'America)
  (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori

• Saitta, Antonino Marco; Saija, Franz (literal)

Pagina inizio

• 13768 (literal)

Pagina fine

• 13773 (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#altreInformazioni

• Questo articolo ha ricevuto molta attenzione da parte della stampa sia scientifica sia divulgativa: http://www.altmetric.com/details.php?domain=www.pnas.org&citation_id=2665951 (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#url

• http://www.pnas.org/content/111/38/13768.abstract?sid=71dd55c9-68ab-4e6a-9404-1f9fc73e9871 (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume

• 111 (literal)

Rivista

• Proceedings of the National Academy of Sciences of the United States of America (Rivista)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#pagineTotali

• 6 (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroFascicolo

• 38 (literal)

Note

• ISI Web of Science (WOS) (literal)
• Scopu (literal)
• Google Scholar (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni

• Pierre & Marie Curie University - Paris 6; Centre National de la Recherche Scientifique (CNRS); Istituto per i Processi Chimico-Fisici - Consiglio Nazionale delle Ricerche (CNR) (literal)

Titolo

• Miller experiments in atomistic computer simulations (literal)

Abstract

• The celebrated Miller experiments reported on the spontaneous formation of amino acids from a mixture of simple molecules reacting under an electric discharge, giving birth to the research field of prebiotic chemistry. However, the chemical reactions involved in those experiments have never been studied at the atomic level. Here we report on, to our knowledge, the first ab initio computer simulations of Miller-like experiments in the condensed phase. Our study, based on the recent method of treatment of aqueous systems under electric fields and on metadynamics analysis of chemical reactions, shows that glycine spontaneously forms from mixtures of simple molecules once an electric field is switched on and identifies formic acid and formamide as key intermediate products of the early steps of the Miller reactions, and the crucible of formation of complex biological molecules. (literal)

Editore

• NATIONAL ACADEMY OF SCIENCES (Editore)

Prodotto di

• Istituto per i processi chimico-fisici (IPCF) (Istituto)
• Sistemi macromolecolari, polimeri e fluidi complessi (MD.P01.014.001) (Modulo)

Autore CNR

• FRANZ SAIJA (Unità di personale interno)

Incoming links:

Prodotto

• Istituto per i processi chimico-fisici (IPCF) (Istituto)
• Sistemi macromolecolari, polimeri e fluidi complessi (MD.P01.014.001) (Modulo)

Autore CNR di

• FRANZ SAIJA (Unità di personale interno)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#rivistaDi

• Proceedings of the National Academy of Sciences of the United States of America (Rivista)

Editore di

• NATIONAL ACADEMY OF SCIENCES (Editore)