書誌事項
- タイトル別名
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- Structural Analysis of Iron(III) Complexes Relevant to Carcinogenicity
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説明
Some iron(III) complexes, including [Fe2(μ-O)(nta)2(H2O)2]2– and [Fe2(μ-O)(ida)2(H2O)4], are considered to be significant carcinogens to cause renal injuries from the result of previous animal experiments. On the other hand, similar iron(III) complex [Fe2(μ-O)(pac)2(H2O)2] is not considered to be a carcinogen. In order to clarify the differences in carcinogenicity, conformational analyses have been conducted for four dinuclear iron(III) complexes, [Fe2(μ-O)(nta)2(H2O)2]2–, [Fe2(μ-O)(edda)2(H2O)2], [Fe2(μ-O)(ida)2(H2O)4], and [Fe2(μ-O)(pac)2(H2O)2], where nitrilotriacetate [(nta)3–], ethylenediamine-N,N'-diacetate [(edda)2–], iminodiacetate [(ida)2–], and N-(2-pyridylmethyl)iminodiacetate [(pac)2–] are the chelating ligands (chelators). Based on the DFT computation, two-point interaction with hydrogen peroxide or α-helix was found to be possible for carcinogenic iron(III) complexes, [Fe2(μ-O)(nta)2(H2O)2]2– and [Fe2(μ-O)(ida)2(H2O)4], whereas the interaction was not found to be possible for non-carcinogenic iron(III) complex, [Fe2(μ-O)(pac)2(H2O)2].
収録刊行物
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- Journal of Computer Chemistry, Japan
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Journal of Computer Chemistry, Japan 13 (6), 317-318, 2015
日本コンピュータ化学会
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詳細情報 詳細情報について
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- CRID
- 1390001205181127552
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- NII論文ID
- 130004933672
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- ISSN
- 13473824
- 13471767
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- 本文言語コード
- ja
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- データソース種別
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- JaLC
- Crossref
- CiNii Articles
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- 抄録ライセンスフラグ
- 使用不可
