Nanomaterials (NMs) have the same component as a constituent unit but have unique characteristics such that they exhibit different functions and activities depending on the form. Therefore, it is expected to be applied to new materials having superior properties that have not been seen before, and active research and development are being promoted internationally. However, it is difficult to predict toxicity based on structure-activity relationships from constituents such as low-molecular-weight chemicals, and a comprehensive approach to toxicity evaluation and safety that uses the morphological characteristics of nanoparticles as descriptors is required. In this study, we collected test data of physicochemical properties and harmfulness information for six types of titanium dioxide nanoparticles (TiO2 NPs), and searched and scrutinized data necessary for statistical analysis. Furthermore, we analyzed the similarity of physical property values and examined the usefulness of this method for toxicity evaluation by using multivariate analysis for the relationship between physicochemical properties and hazard information. Sources of information on the physicochemical properties and hazard test data on repeated dose toxicity by inhalation and intratracheal administration routes for six types of TiO2 NPs were provided by the OECD NM safety assessment test document (Dossier) and eNanoMapper DB. SIMCA-P was used for statistical analysis. Physicochemical properties of about 168 items for which was collected information were classified by hierarchical clustering analysis, and their similarities were shown by Dendrogram. Combinations of items showing similarity in physicochemical properties were indicated by PCA, and the relevance of hazard information could be linked to property items showing toxicity by OPLS. From the results obtained in this analysis, it was possible to clarify the slight differences in physicochemical properties associated with toxicity using a vast data collection on the physicochemical properties of NM. Therefore, it is suggested that the various statistical methods used in this analysis can be useful tools for evaluating the properties of NMs, and are expected to be applied to toxicity evaluation methods based on the properties of NM.

Application to toxicity evaluation of titanium dioxide nanoparticles based on physicochemical properties using multivariate analysis method

ACS Fall 2020 Virtual Meeting

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