Interactions between Al12X (X = Al, C, N and P) nanoparticles and DNA nucleobases/base pairs: implications for nanotoxicity
文献类型：期刊论文
| 作者 | Jin, Peng1,2; Chen, Yongsheng3; Zhang, Shengbai B.4; Chen, Zhongfang1 |
| 刊名 | JOURNAL OF MOLECULAR MODELING
 |
| 出版日期 | 2012-02-01 |
| 卷号 | 18期号:2页码:559-568 |
| 关键词 | Aluminum cluster DNA Nucleobase Base pair Density functional theory Interaction Nanotoxicity |
| 英文摘要 | The interactions between neutral Al12X(I (h) ) (X = Al, C, N and P) nanoparticles and DNA nucleobases, namely adenine (A), thymine (T), guanine (G) and cytosine (C), as well as the Watson-Crick base pairs (BPs) AT and GC, were investigated by means of density functional theory computations. The Al12X clusters can tightly bind to DNA bases and BPs to form stable complexes with negative binding Gibbs free energies at room temperature, and considerable charge transfers occur between the bases/BPs and the Al12X clusters. These strong interactions, which are also expected for larger Al nanoparticles, may have potentially adverse impacts on the structure and stability of DNA and thus cause its dysfunction. |
| WOS标题词 | Science & Technology ; Life Sciences & Biomedicine ; Physical Sciences ; Technology |
| 类目[WOS] | Biochemistry & Molecular Biology ; Biophysics ; Chemistry, Multidisciplinary ; Computer Science, Interdisciplinary Applications |
| 研究领域[WOS] | Biochemistry & Molecular Biology ; Biophysics ; Chemistry ; Computer Science |
| 关键词[WOS] | NUCLEIC-ACID BASES ; WALLED CARBON NANOTUBE ; MOLECULAR-DYNAMICS ; DENSITY FUNCTIONALS ; ENHANCED STABILITY ; GUANINE-CYTOSINE ; AB-INITIO ; IN-VITRO ; ALUMINUM ; TOXICITY |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000299769700014 |
| 公开日期 | 2015-07-14 |
| 源URL | [http://ir.wipm.ac.cn/handle/112942/1555]  |
| 专题 | 武汉物理与数学研究所_理论与交叉研究部 |
| 作者单位 | 1.Univ Puerto Rico, Dept Chem, Rio Piedras, PR 00931 USA 2.Chinese Acad Sci, Wuhan Inst Phys & Math, Wuhan Ctr Magnet Resonance, State Key Lab Magnet Resonance & Atom & Mol Phys, Wuhan 430071, Peoples R China 3.Georgia Inst Technol, Sch Civil & Environm Engn, Atlanta, GA 30332 USA 4.Rensselaer Polytech Inst, Dept Phys Appl Phys & Astron, Troy, NY 12180 USA |
| 推荐引用方式 GB/T 7714 | Jin, Peng,Chen, Yongsheng,Zhang, Shengbai B.,et al. Interactions between Al12X (X = Al, C, N and P) nanoparticles and DNA nucleobases/base pairs: implications for nanotoxicity[J]. JOURNAL OF MOLECULAR MODELING,2012,18(2):559-568. |
| APA | Jin, Peng,Chen, Yongsheng,Zhang, Shengbai B.,&Chen, Zhongfang.(2012).Interactions between Al12X (X = Al, C, N and P) nanoparticles and DNA nucleobases/base pairs: implications for nanotoxicity.JOURNAL OF MOLECULAR MODELING,18(2),559-568. |
| MLA | Jin, Peng,et al."Interactions between Al12X (X = Al, C, N and P) nanoparticles and DNA nucleobases/base pairs: implications for nanotoxicity".JOURNAL OF MOLECULAR MODELING 18.2(2012):559-568. |
入库方式： OAI收割
来源：武汉物理与数学研究所
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