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甲酰胺的高能化学反应:一种更简单的碱基形成方式。

High-energy chemistry of formamide: a simpler way for nucleobase formation.

机构信息

J. Heyrovský Institute of Physical Chemistry, Academy of Sciences of the Czech Republic , Dolejškova 3, 18223 Prague 8, Czech Republic.

出版信息

J Phys Chem A. 2014 Jan 30;118(4):719-36. doi: 10.1021/jp411415p. Epub 2014 Jan 17.

Abstract

The formation of nucleobases from formamide during a high-energy density event, i.e., the impact of an extraterrestrial body into the planetary atmosphere, was studied by irradiation of formamide ice and liquid samples with a high-power laser in the presence of potential catalysts. FTIR spectroscopy, time-resolved emission spectroscopy, and GC-MS were subsequently used to monitor the dissociation of this molecule into stable molecular fragments (HCN, H2O, HNCO, H2, CO, and NH3) and unstable species (HNC, •CN, and •NH). The kinetic and thermodynamic models of the high-energy density event molecular dynamics have been suggested together with the reaction routes leading from the dissociation products to the nucleobases. In addition, using theoretical calculations, we propose a simple new reaction pathway for the formation of both pyrimidine and purine nucleobases involving •CN radical chemistry.

摘要

在高能密度事件(即,外星物体撞击行星大气层)中,由甲酰胺形成核碱基的过程,通过在高能激光存在下辐照甲酰胺冰和液体样品,并使用潜在的催化剂进行了研究。随后使用傅里叶变换红外光谱法、时间分辨发射光谱法和 GC-MS 来监测该分子分解为稳定分子片段(HCN、H2O、HNCO、H2、CO 和 NH3)和不稳定物质(HNC、•CN 和 •NH)。提出了高能密度事件分子动力学的动力学和热力学模型,以及从离解产物到核碱基的反应途径。此外,我们还通过理论计算,提出了一种涉及 •CN 自由基化学的嘧啶和嘌呤核碱基形成的简单新反应途径。

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