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纳米材料物理化学数据的质量:数据完整性和变异性评估

Quality of physicochemical data on nanomaterials: an assessment of data completeness and variability.

作者信息

Comandella Daniele, Gottardo Stefania, Rio-Echevarria Iria Maria, Rauscher Hubert

机构信息

European Commission, Joint Research Centre (JRC), 21027 Ispra, VA, Italy.

出版信息

Nanoscale. 2020 Feb 21;12(7):4695-4708. doi: 10.1039/c9nr08323e. Epub 2020 Feb 12.

Abstract

Grouping and read-across has emerged as a reliable approach to generate safety-related data on nanomaterials (NMs). However, its successful implementation relies on the availability of detailed characterisation of NM physicochemical properties, which allows the definition of groups based on read-across similarity. To this end, this study assessed the availability and completeness of existing (meta)data on 11 experimentally determined physicochemical properties and 18 NMs. Data on representative NMs were mainly extracted from existing datasets stored in the eNanoMapper database, now available on the European Observatory on Nanomaterials website, while data on case-study NMs were provided by their industrial manufacturers. The extent of available (meta)data was assessed and data gaps were identified, thereby determining future testing needs. Data completeness was assessed by using the information checklists included in the templates for data logging developed by the EU-funded projects NANoREG and GRACIOUS. A completeness score (CS) between 0 and 1 was calculated for each (meta)data unit, template section, property, technique and NM. The results show a heterogeneous distribution of available (meta)data across materials and properties, with none of the selected NMs fully characterised. The average CS calculated for representative NMs (0.43) was considerably lower than for case-study NMs (0.68). The low CS was largely caused by missing information on sample preparation and standard operating procedures, and was attributed to a lack of harmonised data reporting and entry procedure. This study therefore suggests that a persistent use of well-defined and harmonised reporting schemes for experimental results is a useful tool to increase (meta)data completeness and ensure their integration and reuse.

摘要

分组和类推法已成为生成纳米材料(NMs)安全相关数据的可靠方法。然而,其成功实施依赖于纳米材料物理化学性质详细表征的可得性,这使得能够基于类推相似性定义分组。为此,本研究评估了11种实验测定的物理化学性质和18种纳米材料的现有(元)数据的可得性和完整性。代表性纳米材料的数据主要从存储在eNanoMapper数据库(现可在欧洲纳米材料观测站网站获取)的现有数据集中提取,而案例研究纳米材料的数据由其工业制造商提供。评估了可用(元)数据的范围并识别了数据缺口,从而确定未来的测试需求。通过使用欧盟资助项目NANoREG和GRACIOUS开发的数据记录模板中包含的信息清单来评估数据完整性。为每个(元)数据单元、模板部分、性质、技术和纳米材料计算了0到l之间的完整性分数(CS)。结果表明,可用(元)数据在材料和性质之间分布不均,所选纳米材料均未得到充分表征。代表性纳米材料的平均CS(0.43)远低于案例研究纳米材料(0.68)。低CS主要是由于样品制备和标准操作规程信息缺失,这归因于缺乏统一的数据报告和录入程序。因此,本研究表明,持续使用定义明确且统一的实验结果报告方案是提高(元)数据完整性并确保其整合和重用的有用工具。

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