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磁场下辐照甘氨酸的计算机模拟与实验自组装:其在生命起源前化学中的可能意义

Computer simulation and experimental self-assembly of irradiated glycine amino acid under magnetic fields: Its possible significance in prebiotic chemistry.

作者信息

Heredia Alejandro, Colín-García María, Puig Teresa Pi I, Alba-Aldave Leticia, Meléndez Adriana, Cruz-Castañeda Jorge A, Basiuk Vladimir A, Ramos-Bernal Sergio, Mendoza Alicia Negrón

机构信息

Instituto de Ciencias Nucleares, Universidad Nacional Autónoma de México, Ciudad Universitaria, Circuito Exterior S/N, Coyoacán, C.P. 04510 Ciudad de México, D.F, Mexico.

Instituto de Geología, Universidad Nacional Autónoma de México, Instituto de Geología, Ciudad Universitaria, Circuito Exterior S/N, Coyoacán, C.P. 04510 Ciudad de México, D.F, Mexico.

出版信息

Biosystems. 2017 Dec;162:66-74. doi: 10.1016/j.biosystems.2017.08.008. Epub 2017 Aug 26.

DOI:10.1016/j.biosystems.2017.08.008
PMID:28851657
Abstract

Ionizing radiation may have played a relevant role in chemical reactions for prebiotic biomolecule formation on ancient Earth. Environmental conditions such as the presence of water and magnetic fields were possibly relevant in the formation of organic compounds such as amino acids. ATR-FTIR, Raman, EPR and X-ray spectroscopies provide valuable information about molecular organization of different glycine polymorphs under static magnetic fields. γ-glycine polymorph formation increases in irradiated samples interacting with static magnetic fields. The increase in γ-glycine polymorph agrees with the computer simulations. The AM1 semi-empirical simulations show a change in the catalyst behavior and dipole moment values in α and γ-glycine interaction with the static magnetic field. The simulated crystal lattice energy in α-glycine is also affected by the free radicals under the magnetic field, which decreases its stability. Therefore, solid α and γ-glycine containing free radicals under static magnetic fields might have affected the prebiotic scenario on ancient Earth by causing the oligomerization of glycine in prebiotic reactions.

摘要

电离辐射可能在古代地球上益生元生物分子形成的化学反应中发挥了重要作用。诸如水和磁场的存在等环境条件可能与氨基酸等有机化合物的形成有关。衰减全反射傅里叶变换红外光谱(ATR-FTIR)、拉曼光谱、电子顺磁共振(EPR)和X射线光谱提供了关于静态磁场下不同甘氨酸多晶型物分子结构的有价值信息。在与静态磁场相互作用的辐照样品中,γ-甘氨酸多晶型物的形成增加。γ-甘氨酸多晶型物的增加与计算机模拟结果一致。AM1半经验模拟显示,在α-和γ-甘氨酸与静态磁场相互作用时,催化剂行为和偶极矩值发生了变化。磁场下的自由基也会影响α-甘氨酸中模拟的晶格能,从而降低其稳定性。因此,静态磁场下含有自由基的固态α-和γ-甘氨酸可能通过在益生元反应中促使甘氨酸寡聚化,从而影响了古代地球的益生元环境。

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