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(2) An investigation typically involves the preparation of multiple materials that are tested. These materials could be of the same chemical composition (same type and amount of chemical components in the sample) or different chemical compositions. Materials having the same chemical composition should be described using one material file. Materials of different chemical composition should be described separately using multiple materials files.
File Format
The material file format leverages a vertical-based spreadsheet format with columns representing multiple values. TABLE 4 Material file looks similar to an Investigation file. It is a vertically oriented spreadsheet containing tab delimited column values representing multiple values. The file consists of three sections: MATERIAL, MATERIAL RELATIONSHIP, and MATERIAL FILE. TABLE 1 shows an the example subset of the material file.
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(1) Material identifier, material name, material type, and material description;
(2) Description of the synthesis and rationale for design;
(3) Chemical name and characteristics of the material; and
(4) Intended application of the material.
1.1.1.1 Description
The Material file describes the composition of the material formulation and is not included in the ISA-TAB specification. The Material file is an important file that is designed to allow for nanomaterial comparison across nanotechnology resources. The Material file also allows for the association with an optional Structure file for representing the 3D structure of the nanomaterial.
An investigation typically involves the preparation of multiple materials. These materials could be of the same chemical composition (same type and amount of chemical components in the sample) or of different chemical compositions. Materials having the same chemical composition should be described using one Material file. Materials of different chemical composition could be described separately using multiple materials files or described in a single material file.
1.1.1.2 File Format
The Material file format leverages a vertical based spreadsheet format with columns representing multiple values. In the example subset of the Material file below, column A indicates the field names and columns B and C are field values.
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A
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B
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C
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Material Identifier
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NCL-23
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Material Name
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g45_coona_dendrimer_magnevist_complex
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g45_coona_dendrimer
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Material Description
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G4.5 COONa terminated PAMAM dendrimer-Magnevist® complex
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Material Synthesis
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Material Design Rationale
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Material Design Rationale Term Accession Number
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Material Design Rationale Term Source REF
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Material Type
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nanomaterial
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dendrimer
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Material Type Term Accession Number
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NPO_1404
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NPO_735
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Material Type Term Source REF
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NPO
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NPO
1.1.1.3 nano-TAB Extensions
Since the Material file does not exist in the ISA-TAB standard, the entire file is considered an extension. This file is described in detail in Section 4.
1.1 Material file
The Material file looks similar to an Investigation file. It is a vertically oriented spreadsheet containing tab delimited column values. The file consists of three sections, as listed below:
s MATERIAL
s MATERIAL RELATIONSHIP
s MATERIAL FILE
1.1.1 MATERIAL
The MATERIAL section allows for the description of the nanomaterial formulation and any materials (including material parts) associated with the nanomaterial formulation. A formulation is the nanomaterial and any other components or medium. A formulation can also be any non-biological material sample (e.g. small molecule) used in experimentation. The Material Section supports the following types of information:
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