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Nanomaterials 2015, 5(4), 1620-1637; doi:10.3390/nano5041620

Metal Oxide Nanomaterial QNAR Models: Available Structural Descriptors and Understanding of Toxicity Mechanisms

1,2,†
,
1,2,†,* and 1,2,*
1
Key Laboratory of Environmental Medicine Engineering, Ministry of Education, School of Public Health, Southeast University, Nanjing 210009, China
2
Jiangsu key Laboratory for Biomaterials and Devices, Southeast University, Nanjing 210009, China
These authors contributed equally to this work.
*
Authors to whom correspondence should be addressed.
Academic Editor: Jiye Fang
Received: 11 September 2015 / Revised: 3 October 2015 / Accepted: 3 October 2015 / Published: 12 October 2015
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Abstract

Metal oxide nanomaterials are widely used in various areas; however, the divergent published toxicology data makes it difficult to determine whether there is a risk associated with exposure to metal oxide nanomaterials. The application of quantitative structure activity relationship (QSAR) modeling in metal oxide nanomaterials toxicity studies can reduce the need for time-consuming and resource-intensive nanotoxicity tests. The nanostructure and inorganic composition of metal oxide nanomaterials makes this approach different from classical QSAR study; this review lists and classifies some structural descriptors, such as size, cation charge, and band gap energy, in recent metal oxide nanomaterials quantitative nanostructure activity relationship (QNAR) studies and discusses the mechanism of metal oxide nanomaterials toxicity based on these descriptors and traditional nanotoxicity tests. View Full-Text
Keywords: nanotoxicology; metal oxide; quantitative structure activity relationship (QSAR); descriptor; toxicity mechanisms nanotoxicology; metal oxide; quantitative structure activity relationship (QSAR); descriptor; toxicity mechanisms
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This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. (CC BY 4.0).

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Ying, J.; Zhang, T.; Tang, M. Metal Oxide Nanomaterial QNAR Models: Available Structural Descriptors and Understanding of Toxicity Mechanisms. Nanomaterials 2015, 5, 1620-1637.

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