Interactions between Al12X (X = Al, C, N and P) nanoparticles and DNA nucleobases/base pairs: implications for nanotoxicity

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	Interactions between Al12X (X = Al, C, N and P) nanoparticles and DNA nucleobases/base pairs: implications for nanotoxicity
	Jin, Peng 1,2; Chen, Yongsheng 3; Zhang, Shengbai B.4; Chen, Zhongfang 1
刊名	JOURNAL OF MOLECULAR MODELING
	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
内容类型	期刊论文
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.