| アイテムタイプ |
itemtype_ver1(1) |
| 公開日 |
2024-12-10 |
| タイトル |
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タイトル |
Computational analysis of the thermodynamic stability and isomeric composition of cholestane |
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言語 |
en |
| 著者 |
Nukumi, Yuki
Sato, Hirofumi
Saito, Ryosuke
Higashi, Masahiro
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| アクセス権 |
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アクセス権 |
embargoed access |
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アクセス権URI |
http://purl.org/coar/access_right/c_f1cf |
| 権利 |
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|
権利情報 |
© 2024. This manuscript version is made available under the CC-BY-NC-ND 4.0 license http://creativecommons.org/licenses/by-nc-nd/4.0/ |
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言語 |
en |
| 内容記述 |
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内容記述タイプ |
Abstract |
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内容記述 |
Cholestane is produced by diagenesis of cholesterol in the geosphere being known to have four main stereoisomers. The abundance ratios of these stereoisomers are important indicators of the geospheric thermal history. However, it has been unclear whether the isomeric ratios are caused by kinetic or thermodynamic dominance. In this study, we analyzed the isomeric ratios of cholestane under thermodynamic dominance using the density functional theory. The calculated isomeric ratios are in good agreement with the limit values in the geosphere, indicating that the isomeric ratios in the geosphere can be obtained under thermodynamic control. We also discussed the factors contributing to their stabilities. |
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言語 |
en |
| 出版者 |
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出版者 |
Elsevier |
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言語 |
en |
| 言語 |
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言語 |
eng |
| 資源タイプ |
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資源タイプresource |
http://purl.org/coar/resource_type/c_6501 |
|
タイプ |
journal article |
| 出版タイプ |
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|
出版タイプ |
AM |
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出版タイプResource |
http://purl.org/coar/version/c_ab4af688f83e57aa |
| 関連情報 |
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関連タイプ |
isVersionOf |
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識別子タイプ |
DOI |
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関連識別子 |
https://doi.org/10.1016/j.orggeochem.2024.104841 |
| 収録物識別子 |
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収録物識別子タイプ |
PISSN |
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収録物識別子 |
01466380 |
| 書誌情報 |
en : Organic Geochemistry
巻 195,
p. 104841,
発行日 2024-09
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| ファイル公開日 |
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日付 |
2026-09-01 |
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日付タイプ |
Available |
manuscript_revised.pdf (429 KB)
