Miller experiments in atomistic computer simulations

Antonino Marco Saitta; Franz Saija

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Miller experiments in atomistic computer simulations

机译：Miller experiments in atomistic computer simulations

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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.

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《Proceedings of the National Academy of Sciences of the United States of America》 |2014年第38期|13768-13773|共6页
作者
Antonino Marco Saitta; Franz Saija;
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作者单位

Sorbonne Universités, Université Pierre et Marie Curie Paris 06, Institut de Minéralogie, de Physique des Matériaux et de Cosmochimie, Unité Mixte de Recherche 7590, 75005 Paris, France;

CNR-Istituto per i Processi Chimico-Fisici, V. le F. Stagno d’Alcontres 37, 98158 Messina, Italy;

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收录信息美国《科学引文索引》(SCI);美国《生物学医学文摘》(MEDLINE);美国《化学文摘》(CA);
原文格式 PDF
正文语种英语
中图分类自然科学总论;
关键词
experiments; computer; simulations;

Miller experiments in atomistic computer simulations

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