Ab initio molecular dynamics study of meteorite impact-induced production of essential reductive molecules of life
| Project/Area Number |
16K17782
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| Research Category |
Grant-in-Aid for Young Scientists (B)
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| Allocation Type | Multi-year Fund |
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| Research Field |
Biological physics/Chemical physics/Soft matter physics
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| Research Institution | Kobe University |
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Principal Investigator |
Shimamura Kohei 神戸大学, システム情報学研究科, 助教 (60772647)
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| Project Period (FY) |
2016-04-01 – 2019-03-31
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| Project Status |
Completed (Fiscal Year 2018)
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| Budget Amount *help |
¥4,030,000 (Direct Cost: ¥3,100,000、Indirect Cost: ¥930,000)
Fiscal Year 2018: ¥1,430,000 (Direct Cost: ¥1,100,000、Indirect Cost: ¥330,000)
Fiscal Year 2017: ¥1,300,000 (Direct Cost: ¥1,000,000、Indirect Cost: ¥300,000)
Fiscal Year 2016: ¥1,300,000 (Direct Cost: ¥1,000,000、Indirect Cost: ¥300,000)
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| Keywords | 第一原理分子動力学法 / 隕石の海洋衝突シミュレーション / 還元的炭素・窒素源分子生成 / 生命の起源 / 後期重爆撃期 / 鉄隕石による還元作用 / 衝撃波シミュレーション / 隕石の海洋衝突 / 還元的窒素・炭素源分子生成機構 / アンモニア生成機構 / 原初地球 / 生物物理 / 計算物理 |
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| Outline of Final Research Achievements |
We have investigated the iron-bearing meteorite impact-induced production processes of reductive molecules such as ammonia, carboxylic acid, and hydrocarbons, which are precursors of amino acids, from nitrogen, carbon dioxide, and water by means of ab initio molecular dynamics simulations. It has been elucidated that ammonia was produced from nitrogen in a large amount by the different three atomic mechanisms during shock compression. On the other hand, bicarbonate formed from carbon dioxide played an important role in production of the hydrocarbon and carboxylic acid because the by-products at its formation became the former materials, and itself did the latter material. In the expansion process after compression, although it is a qualitative result, we have obtained a suggestion that even under standard condition, these reductive molecules remain in water.
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| Academic Significance and Societal Importance of the Research Achievements |
現生命は全てアミノ酸を主として構成されている。化石検証から生命誕生は38億年前と見積られているが多数の鉄隕石が飛来したと思われる後期重爆撃期の終焉時期でもあり、当時を模擬した実験でアミノ酸の生成が確認されたため、生命の起源との深い関わりが示唆されていた。我々の原子論的手法に基づくミクロな視点からの調査は観測が困難な隕石衝突時に起こっている化学反応の一つ一つを明らかにした。全容を明らかにしたとは言えずアミノ酸を持続的に生成し得る機構を発見出来なかったものの当時の過酷な酸化的環境を生命の住みやすい還元的なものに塗り替える重要な役割を隕石衝突が担った可能性を示すデータを得ることができたと考えている。
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Report
(4 results)
Research Products
(13 results)
