在太空中从氨基酸酸中形成甘氨酸的机制
1Department of Chemistry, Dongguk University-Seoul, Seoul 04620, Republic of Korea. jcchoe@dongguk.edu.
Physical chemistry chemical physics : PCCP
|June 5, 2023
概括
在星际空间中,通过氨基乙 (NH2CH2CN) 与基 (̇OH) 和水反应,有可能形成甘氨酸 (Gly). 这条通道的激活屏障很低,这表明在冰冷的颗粒表面上形成热.
科学领域:
- 天体化学是天体化学.
- 计算化学的计算化学
- 天体生物学 天体生物学
背景情况:
- 氨基氨基 (NH2CH2CN) 是糖氨酸 (Gly) 的前体,是一种具有生物学意义的氨基酸.
- 了解星际环境中甘氨酸的形成途径对于天体生物学至关重要.
研究的目的:
- 为了确定从氨基酸酸中形成甘氨酸的潜在能量表面.
- 在星际条件下调查糖氨酸合成的反应机制和激活障碍.
主要方法:
- 使用CBS-QB3计算计算来建模反应路径.
- 分析了在各种反应条件下从氨基酸酸中形成的甘氨酸及其前体.
主要成果:
- 确定了导致甘氨酸或其前体的特定反应途径.
- 发现涉及NHCH2CN,NH2CHCN或NH2CH2CN + OH + H2O的反应产生甘氨酸作为主要产物.
- 确定了分别为229,216和118kJmol-1的激活障碍.
- 发现了从NH2CH2CN + ̇OH + H2O与催化H2O形成甘氨酸的无障碍途径.
结论:
- 甘氨酸可以从星际介质中的冰冷粒表面的氨基基和基热形成.
- 鉴定到的无障碍途径强烈支持星际甘氨酸合成的可行性.
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