Density Functional Theory Study on the Cross-Linking of Mussel Adhesive Proteins
文献类型：期刊论文
| 作者 | Matin, MA; Chitumalla, RK; Lim, M; Gao, XF; Jang, J; Gao XF(高兴发)
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| 刊名 | JOURNAL OF PHYSICAL CHEMISTRY B
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| 出版日期 | 2015 |
| 卷号 | 119期号:17页码:5496-5504 |
| 英文摘要 | The water-resistant adhesion of mussel adhesive proteins (MAPs) to a wet surface requires a cross-linking step, where the catecholic ligands of MAPs coordinate to various transition-metal ions. Fe(III), among the range of metal ions, induces particularly strong cross-linking. The molecular details underlying this cross-linking mediated by transition-metal ions are largely unknown. Of particular interest is the metalligand binding energy, which is the molecular origin of the mechanical properties of cross-linked MAPs. Using density functional theory, this study examined the structures and binding energies of various trivalent metal ions (TiGa) forming coordination complexes with a polymeric ligand similar to a MAP. These binding energies were 1 order of magnitude larger than the physisorption energy of a catechol molecule on a metallic surface. On the other hand, the coordination strength of Fe(III) with the ligand was not particularly strong compared to the other metal ions studied. Therefore, the strong cross-linking in the presence of Fe(III) is ascribed to its additional ability as an oxidant to induce covalent cross-linking of the catecholic groups of MAPs. |
| 学科主题 | Chemistry |
| 类目[WOS] | Chemistry, Physical |
| 收录类别 | SCI ; EI |
| WOS记录号 | WOS:000353931000018 |
| 公开日期 | 2016-05-03 |
| 源URL | [http://ir.ihep.ac.cn/handle/311005/228509]  |
| 专题 | 中国科学院高能物理研究所 |
| 推荐引用方式 GB/T 7714 | Matin, MA,Chitumalla, RK,Lim, M,et al. Density Functional Theory Study on the Cross-Linking of Mussel Adhesive Proteins[J]. JOURNAL OF PHYSICAL CHEMISTRY B,2015,119(17):5496-5504. |
| APA | Matin, MA,Chitumalla, RK,Lim, M,Gao, XF,Jang, J,&高兴发.(2015).Density Functional Theory Study on the Cross-Linking of Mussel Adhesive Proteins.JOURNAL OF PHYSICAL CHEMISTRY B,119(17),5496-5504. |
| MLA | Matin, MA,et al."Density Functional Theory Study on the Cross-Linking of Mussel Adhesive Proteins".JOURNAL OF PHYSICAL CHEMISTRY B 119.17(2015):5496-5504. |
入库方式： OAI收割
来源：高能物理研究所
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