NanoPUZZLES ISA-TAB-Nano dataset: Toxicity and physicochemical data extracted from Zhang et al. 2012 (DOI:10.1021/nn3010087)

This file is a ZIP archive which contains three different copies of an ISA-TAB-Nano dataset developed within the NanoPUZZLES EU project [http://www.nanopuzzles.eu]. The (meta)data in this dataset were primarily extracted from the following reference, with additional references consulted as indicated in the Investigation file: Toxicity and physicochemical data extracted from Zhang et al. 2012 (DOI:10.1021/nn3010087)*****Before working with this dataset, you are strongly advised to read the following text - especially the "Disclaimers".*****ISA-TAB-Nano [1,2,3] has been proposed as a nanomaterial data exchange standard. As is explained in the README file contained within this dataset, as well as the "Investigation Description" field of the Investigation file regarding dataset specific deviations, the manner in which certain data and metadata were recorded within these datasets deviates from the expectations of the generic ISA-TAB-Nano specification. Marchese Robinson et al. [3], distributed within this dataset, discusses this in more detail. However, some additional new business rules, going beyond those described in Marchese Robinson et al. [3], may also have been applied to this dataset - as documented in the README file.This dataset was developed using Excel-based templates developed in the NanoPUZZLES project [4]. (N.B. The latest version of the templates, at the time of writing, was version 4 as opposed to version 3 which was described in Marchese Robinson et al. [3]. This latest version of the templates should be contained within the README file of this dataset.) Since these templates were iteratively updated, not all datasets may be perfectly consistent with the latest version - although efforts were made to minimise inconsistencies.The three copies of this dataset are as follows:<br>(a) 10.1021_FS_nn3010087.zip: the original dataset prepared within Excel<br>(b) 10.1021_FS_nn3010087-txt_opt-N.zip: a tab-delimited text version of this dataset prepared using version 2.0 of the cited Python program [5], with the -N flag selected (designed to minimise inconsistencies with the latest version of the NanoPUZZLES templates)<br>(c) 10.1021_FS_nn3010087-txt_opt-a_opt-c_opt-N.zip: a tab-delimited text version of this dataset prepared using version 2.0 of the cited Python program [5], with the -N, -a (truncate ontology IDs) and -c (remove Investigation file comments) flags selected, as required for submission to the nanoDMS online database system [3,6]. <br>Disclaimers:(1) this work has not undergone peer review<br>(2) no endorsement by third parties should be inferred<br>(3) *You are strongly advised to read the README file and the "Investigation Description" field of the Investigation file before working with this dataset. The latter field may document dataset specific caveats such as possible problems or uncertainties associated with curation from the original reference(s). Cited references:<br>[1] Thomas, D.G. et al. BMC Biotechnol. 2013, 13, 2. doi:10.1186/1472-6750-13-2<br>[2] https://wiki.nci.nih.gov/display/ICR/ISA-TAB-Nano (accessed 18th of December 2015)<br>[3] Marchese Robinson, R.L. et al. Beilstein J. Nanotechnol. 2015, 6, 1978–1999. doi:10.3762/bjnano.6.202<br>[4] http://www.myexperiment.org/files/1356.html (accessed 18th of December 2015)<br>[5] https://github.com/RichardLMR/xls2txtISA.NANO.archive (accessed 18th of December 2015)<br>[6] http://biocenitc-deq.urv.cat/nanodms (accessed 18th of December 2015)Funding:The research leading to these results has received funding from the European Union Seventh Framework Programme (FP7/ 2007-2013) under grant agreement no. 309837 (NanoPUZZLES project).<br>

本文件为ZIP压缩归档，内含三份不同副本的ISA-TAB-Nano数据集，该数据集由欧盟NanoPUZZLES项目研发（http://www.nanopuzzles.eu）。本数据集的（元）数据主要提取自以下参考文献，其余参考资料详见调查文件（Investigation file）：从Zhang等人2012年的研究中提取的毒性与理化数据（DOI:10.1021/nn3010087）。

**在使用本数据集前，强烈建议您阅读以下内容，尤其是“免责声明”部分。**

ISA-TAB-Nano已被提出作为纳米材料数据交换标准。正如本数据集内含的README文件，以及调查文件的“调查描述”字段中针对数据集特定偏差的说明所述，本数据集内部分数据与元数据的记录方式，与通用ISA-TAB-Nano规范的预期存在差异。本数据集附带的Marchese Robinson等人[3]的文献对此进行了更详细的讨论。此外，本数据集还可能应用了一些超出Marchese Robinson等人[3]所述范围的新增业务规则，相关说明详见README文件。

本数据集基于NanoPUZZLES项目研发的基于Excel的模板开发[4]。（注：撰写本文时，模板的最新版本为第4版，而非Marchese Robinson等人[3]中提及的第3版。本数据集的README文件中应包含该最新版本的模板。）由于这些模板历经迭代更新，并非所有数据集都能与最新版本完全一致，尽管已尽力减少不一致性。

本数据集的三份副本如下：
(a) 10.1021_FS_nn3010087.zip：使用Excel制备的原始数据集
(b) 10.1021_FS_nn3010087-txt_opt-N.zip：使用所引用Python程序[5]的2.0版本制备的制表符分隔文本格式数据集，选择了-N参数（旨在最大程度减少与NanoPUZZLES模板最新版本的不一致性）
(c) 10.1021_FS_nn3010087-txt_opt-a_opt-c_opt-N.zip：使用所引用Python程序[5]的2.0版本制备的制表符分隔文本格式数据集，按照提交至nanoDMS在线数据库系统[3,6]的要求，选择了-N、-a（截断本体ID）和-c（移除调查文件注释）参数。

**免责声明：**
(1) 本作品尚未经过同行评审
(2) 不得推断本作品获得任何第三方的背书
(3) 强烈建议您在使用本数据集前，阅读README文件以及调查文件的“调查描述”字段。该字段可能会记录针对特定数据集的注意事项，例如源自原始参考文献的数据整理过程中可能存在的问题或不确定性。

**引用文献：**
[1] Thomas, D.G. 等人. BMC Biotechnol. 2013, 13, 2. doi:10.1186/1472-6750-13-2
[2] https://wiki.nci.nih.gov/display/ICR/ISA-TAB-Nano（2015年12月18日访问）
[3] Marchese Robinson, R.L. 等人. Beilstein J. Nanotechnol. 2015, 6, 1978–1999. doi:10.3762/bjnano.6.202
[4] http://www.myexperiment.org/files/1356.html（2015年12月18日访问）
[5] https://github.com/RichardLMR/xls2txtISA.NANO.archive（2015年12月18日访问）
[6] http://biocenitc-deq.urv.cat/nanodms（2015年12月18日访问）

**资助信息：**
本研究成果的研发工作已获得欧盟第七框架计划（FP7/2007-2013）下的资助协议编号309837（NanoPUZZLES项目）的资助。