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Classification Nano-SAR development for Cytotoxicity of Metal Oxide Nanoparticles

p10A classification-based cytotoxicity nanostructure–activity relationship (nanoSAR) is presented based on a set of nine metal oxide nanoparticles to which transformed bronchial epithelial cells (BEAS-2B) were exposed over a range of concentrations (0.375–200 mg L−1) and exposure times up to 24 h. The nanoSAR is developed using cytotoxicity data from a high-throughput screening assay that was processed to identify and label toxic (in terms of the propidium iodide uptake of BEAS-2B cells) versus nontoxic events relative to an unexposed control cell population. Starting with a set of fourteen intuitive but fundamental physicochemical nanoSAR input parameters, a number of models were identified which had a classification accuracy above 95%. The best-performing model had a 100% classification accuracy in both internal and external validations. This model is based on three descriptors: atomization energy of the metal oxide, period of the nanoparticle metal, and nanoparticle primary size, in addition to nanoparticle volume fraction (in solution). Notwithstanding the success of the present modeling approach with a relatively small nanoparticle library, it is important to recognize that a significantly larger data set would be needed in order to expand the applicability domain and increase the confidence and reliability of data-driven nanoSARs.

Liu R, Rallo R, George S, Ji Z, Nair S, Nel AE, Cohen Y (2011). Classification Nano-SAR development for Cytotoxicity of Metal Oxide Nanoparticles. Small, 7(8):1118-1126

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No time to lose–high throughput screening to assess nanomaterial safety

p12Nanomaterials hold great promise for medical, technological and economical benefits. Knowledge concerning the toxicological properties of these novel materials is typically lacking. At the same time, it is becoming evident that some nanomaterials could have a toxic potential in humans and the environment. Animal based systems lack the needed capacity to cope with the abundance of novel nanomaterials being produced, and thus we have to employ in vitro methods with high throughput to manage the rush logistically and use high content readouts wherever needed in order to gain more depth of information. Towards this end, high throughput screening (HTS) and high content screening (HCS) approaches can be used to speed up the safety analysis on a scale that commensurate with the rate of expansion of new materials and new properties. The insights gained from HTS/HCS should aid in our understanding of the tenets of nanomaterial hazard at biological level as well as assist the development of safe-by-design approaches. This review aims to provide a comprehensive introduction to the HTS/HCS methodology employed for safety assessment of engineered nanomaterials (ENMs), including data analysis and prediction of potentially hazardous material properties. Given the current pace of nanomaterial development, HTS/HCS is a potentially effective means of keeping up with the rapid progress in this field–we have literally no time to lose.

Damoiseaux R; George S; Li M; Pokhrel S; Ji Z; France B; Xia T,Suarez E; Rallo R; Maedler L; Cohen Y; Hoek EMV; Nel A. (2011) No time to lose – high throughput screening to assess nanomaterial safety (Review Article). Nanoscale, 3(4):1345-1360