Material Source Name	Material Name	Material Description	Material Synthesis	Material Type	Term Accession Number	Term Source REF	Material Chemical Name	Term Accession Number	Term Source REF	Characteristics [component proportion]	Unit	Term Accession Number	Term Source REF	Characteristics [surface charge {NPO:http://purl.bioontology.org/ontology/npo#NPO_1812}]	Characteristics [Amorphous phase proportion]	Unit	Term Accession Number	Term Source REF	Characteristics [Major crystalline phase]	Term Accession Number	Term Source REF	Characteristics [Major crystalline phase proportion]	Unit	Term Accession Number	Term Source REF	Characteristics [Minor crystalline phase]	Term Accession Number	Term Source REF	Characteristics [Minor crystalline phase proportion]	Unit	Term Accession Number	Term Source REF	Characteristics [Product impurities found {MEDDRA:http://purl.bioontology.org/ontology/MDR/10069178}]	Term Accession Number	Term Source REF	Characteristics [Impurities proportions]	Unit	Term Accession Number	Term Source REF	Characteristics [purity {NPO:http://purl.bioontology.org/ontology/npo#NPO_1345}]	Unit	Term Accession Number	Term Source REF	Characteristics [average size]	Unit	Term Accession Number	Term Source REF	Characteristics [minimum size]	Unit	Term Accession Number	Term Source REF	Characteristics [maximum size]	Unit	Term Accession Number	Term Source REF	Characteristics [average diameter]	Unit	Term Accession Number	Term Source REF	Characteristics [minimum diameter]	Unit	Term Accession Number	Term Source REF	Characteristics [maximum diameter]	Unit	Term Accession Number	Term Source REF	Characteristics [average length]	Unit	Term Accession Number	Term Source REF	Characteristics [minimum length]	Unit	Term Accession Number	Term Source REF	Characteristics [maximum length]	Unit	Term Accession Number	Term Source REF	Characteristics [shape {NPO:http://purl.bioontology.org/ontology/npo#NPO_274}]	Term Accession Number	Term Source REF	Characteristics [specific surface area]	Unit	Term Accession Number	Term Source REF	Characteristics [logP {BAO:http://www.bioassayontology.org/bao#BAO_0002130}]	Material Constituent	Material Linkage Type	Term Accession Number	Term Source REF	Material Data File	Material Data File Description	Comment [component proportion:from graph]	Comment [Amorphous phase proportion:from graph]	Comment [Major crystalline phase proportion:from graph]	Comment [Minor crystalline phase proportion:from graph]	Comment [Impurities proportions:from graph]	Comment [purity:from graph]	Comment [average size:from graph]	Comment [minimum size:from graph]	Comment [maximum size:from graph]	Comment [average diameter:from graph]	Comment [minimum diameter:from graph]	Comment [maximum diameter:from graph]	Comment [average length:from graph]	Comment [minimum length:from graph]	Comment [maximum length:from graph]	Comment [surface charge:from graph]	Comment [logP:from graph]	Comment [specific surface area:from graph]	Comment [Experimental determination of chemical composition]
TiO2_TOY.article	TiO2_TOY.article	*N.B. Please note the following explanation which is presented prior to the text which is specific to this hypothetical nanomaterial. As explained in “NanoPUZZLES_ISA-TAB-Nano-Supporting Information-final.pdf”,  certain Material file "Characteristics [...]" fields referring to basic chemical composition information ("component proportion", "Product impurities found", "Impurities proportions","purity") were introduced in NanoPUZZLES and, in keeping with NanoPUZZLES introduced business rules, all basic chemical composition information - including these specific "Characteristics [...]" fields - was documented in the Material file even when this was experimentally determined/confirmed. However, documenting experimentally determined characteristics using Material file “Characteristics […]” fields, rather than via an Assay file, is not consistent with version 1.2 of the ISA-TAB-Nano specification, although it does ensure that basic chemical composition information is always recorded in the Material file whether or not it was experimentally confirmed/determined.* TiO2 (rutile) nanoparticles (nominally spherical, size 20 nm) with an amorphous silica shell and carboxylic acid surface ligands;made available from the supplier in deionized water;nominally 99% pure;nominal core/shell molar percentage values (c.f. Zhu et al. 2009 [DOI:10.1007/s11671-009-9349-z]) of 90/5;surface impurities of 0.1 percent iron and 0.2 percent silver detected via X-ray Photoelectron Spectroscopy (as per the NanoCare Project Final Scientific Report [http://www.nanopartikel.info/files/projekte/NanoCare/NanoCare_Final_Report.pdf]);an additional dispersant aid (DAXAD) was also detected experimentally using X-ray Photoelectron Spectroscopy (as per Murdock et al. 2008 [DOI:10.1093/toxsci/kfm240])		nanomaterial;metal oxide	http://purl.bioontology.org/ontology/npo#NPO_199;http://purl.bioontology.org/ontology/npo#NPO_1540	NPO;NPO				N/A	N/A	N/A	N/A	negative																										99.0	percent	http://purl.obolibrary.org/obo/UO_0000187	UO	20.0	nanometer	http://purl.obolibrary.org/obo/UO_0000018	UO									20.0	nanometer	http://purl.obolibrary.org/obo/UO_0000018	UO																					spherical shape	http://purl.bioontology.org/ontology/npo#NPO_286	NPO						TiO2_core;silica_shell;surface_ligands;DAXAD_dispersant_aid						0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	
TiO2_TOY.article	TiO2_TOY.article	*N.B. Please note the following explanation which is presented prior to the text which is specific to this hypothetical nanomaterial. As explained in “NanoPUZZLES_ISA-TAB-Nano-Supporting Information-final.pdf”,  certain Material file "Characteristics [...]" fields referring to basic chemical composition information ("component proportion", "Product impurities found", "Impurities proportions","purity") were introduced in NanoPUZZLES and, in keeping with NanoPUZZLES introduced business rules, all basic chemical composition information - including these specific "Characteristics [...]" fields - was documented in the Material file even when this was experimentally determined/confirmed. However, documenting experimentally determined characteristics using Material file “Characteristics […]” fields, rather than via an Assay file, is not consistent with version 1.2 of the ISA-TAB-Nano specification, although it does ensure that basic chemical composition information is always recorded in the Material file whether or not it was experimentally confirmed/determined.* TiO2 (rutile) nanoparticles (nominally spherical, size 20 nm) with an amorphous silica shell and carboxylic acid surface ligands;made available from the supplier in deionized water;nominally 99% pure;nominal core/shell molar percentage values (c.f. Zhu et al. 2009 [DOI:10.1007/s11671-009-9349-z]) of 90/5;surface impurities of 0.1 percent iron and 0.2 percent silver detected via X-ray Photoelectron Spectroscopy (as per the NanoCare Project Final Scientific Report [http://www.nanopartikel.info/files/projekte/NanoCare/NanoCare_Final_Report.pdf]);an additional dispersant aid (DAXAD) was also detected experimentally using X-ray Photoelectron Spectroscopy (as per Murdock et al. 2008 [DOI:10.1093/toxsci/kfm240])		nanomaterial;metal oxide	http://purl.bioontology.org/ontology/npo#NPO_199;http://purl.bioontology.org/ontology/npo#NPO_1540	NPO;NPO				N/A	N/A	N/A	N/A	negative																										99.0	percent	http://purl.obolibrary.org/obo/UO_0000187	UO	20.0	nanometer	http://purl.obolibrary.org/obo/UO_0000018	UO									20.0	nanometer	http://purl.obolibrary.org/obo/UO_0000018	UO																					spherical shape	http://purl.bioontology.org/ontology/npo#NPO_286	NPO						TiO2_core;silica_shell	encapsulation	http://purl.bioontology.org/ontology/npo#NPO_138	NPO			0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	
TiO2_TOY.article	TiO2_TOY.article	*N.B. Please note the following explanation which is presented prior to the text which is specific to this hypothetical nanomaterial. As explained in “NanoPUZZLES_ISA-TAB-Nano-Supporting Information-final.pdf”,  certain Material file "Characteristics [...]" fields referring to basic chemical composition information ("component proportion", "Product impurities found", "Impurities proportions","purity") were introduced in NanoPUZZLES and, in keeping with NanoPUZZLES introduced business rules, all basic chemical composition information - including these specific "Characteristics [...]" fields - was documented in the Material file even when this was experimentally determined/confirmed. However, documenting experimentally determined characteristics using Material file “Characteristics […]” fields, rather than via an Assay file, is not consistent with version 1.2 of the ISA-TAB-Nano specification, although it does ensure that basic chemical composition information is always recorded in the Material file whether or not it was experimentally confirmed/determined.* TiO2 (rutile) nanoparticles (nominally spherical, size 20 nm) with an amorphous silica shell and carboxylic acid surface ligands;made available from the supplier in deionized water;nominally 99% pure;nominal core/shell molar percentage values (c.f. Zhu et al. 2009 [DOI:10.1007/s11671-009-9349-z]) of 90/5;surface impurities of 0.1 percent iron and 0.2 percent silver detected via X-ray Photoelectron Spectroscopy (as per the NanoCare Project Final Scientific Report [http://www.nanopartikel.info/files/projekte/NanoCare/NanoCare_Final_Report.pdf]);an additional dispersant aid (DAXAD) was also detected experimentally using X-ray Photoelectron Spectroscopy (as per Murdock et al. 2008 [DOI:10.1093/toxsci/kfm240])		nanomaterial;metal oxide	http://purl.bioontology.org/ontology/npo#NPO_199;http://purl.bioontology.org/ontology/npo#NPO_1540	NPO;NPO				N/A	N/A	N/A	N/A	negative																										99.0	percent	http://purl.obolibrary.org/obo/UO_0000187	UO	20.0	nanometer	http://purl.obolibrary.org/obo/UO_0000018	UO									20.0	nanometer	http://purl.obolibrary.org/obo/UO_0000018	UO																					spherical shape	http://purl.bioontology.org/ontology/npo#NPO_286	NPO						silica_shell;surface_ligands	covalent linkage	http://purl.bioontology.org/ontology/npo#NPO_563	NPO			0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	
TiO2_TOY.article	TiO2_core			core;metal oxide	http://purl.bioontology.org/ontology/npo#NPO_1617;http://purl.bioontology.org/ontology/npo#NPO_1540	NPO;NPO	titanium oxide nanoparticle	http://purl.bioontology.org/ontology/npo#NPO_1486	NPO	90.0	molar percentage				0.0	percent	http://purl.obolibrary.org/obo/UO_0000187	UO	rutile			100.0	percent	http://purl.obolibrary.org/obo/UO_0000187	UO																																																																																							
TiO2_TOY.article	silica_shell			shell	http://purl.bioontology.org/ontology/npo#NPO_760	NPO	silica shell	http://purl.bioontology.org/ontology/npo#NPO_1873	NPO	5.0	molar percentage				100.0	percent	http://purl.obolibrary.org/obo/UO_0000187	UO															iron;silver	http://purl.bioontology.org/ontology/npo#NPO_568;http://purl.bioontology.org/ontology/npo#NPO_736	NPO;NPO	0.1;0.2	percent;percent	http://purl.obolibrary.org/obo/UO_0000187;http://purl.obolibrary.org/obo/UO_0000187	UO;UO																																																																									*N.B. Please note the following explanation which is presented prior to the text which is specific to this hypothetical nanomaterial. As explained in “NanoPUZZLES_ISA-TAB-Nano-Supporting Information-final.pdf”,  certain Material file "Characteristics [...]" fields referring to basic chemical composition information ("component proportion", "Product impurities found", "Impurities proportions","purity") were introduced in NanoPUZZLES and, in keeping with NanoPUZZLES introduced business rules, all basic chemical composition information - including these specific "Characteristics [...]" fields - was documented in the Material file even when this was experimentally determined/confirmed. However, documenting experimentally determined characteristics using Material file “Characteristics […]” fields, rather than via an Assay file, is not consistent with version 1.2 of the ISA-TAB-Nano specification, although it does ensure that basic chemical composition information is always recorded in the Material file whether or not it was experimentally confirmed/determined.* Surface impurities identified via X-ray Photoelectron Spectroscopy as per analysis carried out for the NanoCare Project Final Scientific Report [http://www.nanopartikel.info/files/projekte/NanoCare/NanoCare_Final_Report.pdf]
TiO2_TOY.article	surface_ligands			surface group	http://purl.bioontology.org/ontology/npo#NPO_1894	NPO	carboxyl group	http://purl.org/obo/owl/CHEBI#CHEBI_46883	NPO	1.0	molar percentage																																																																																																					
TiO2_TOY.article	DAXAD_dispersant_aid			dispersant aid			DAXAD			4.0	molar percentage																																																																																																					*N.B. Please note the following explanation which is presented prior to the text which is specific to this hypothetical nanomaterial. As explained in “NanoPUZZLES_ISA-TAB-Nano-Supporting Information-final.pdf”,  certain Material file "Characteristics [...]" fields referring to basic chemical composition information ("component proportion", "Product impurities found", "Impurities proportions","purity") were introduced in NanoPUZZLES and, in keeping with NanoPUZZLES introduced business rules, all basic chemical composition information - including these specific "Characteristics [...]" fields - was documented in the Material file even when this was experimentally determined/confirmed. However, documenting experimentally determined characteristics using Material file “Characteristics […]” fields, rather than via an Assay file, is not consistent with version 1.2 of the ISA-TAB-Nano specification, although it does ensure that basic chemical composition information is always recorded in the Material file whether or not it was experimentally confirmed/determined.* DAXAD dispersant aid was detected experimentally using X-ray Photoelectron Spectroscopy (as per Murdock et al. 2008 [DOI:10.1093/toxsci/kfm240])
