Summary of Study ST002023

This data is available at the NIH Common Fund's National Metabolomics Data Repository (NMDR) website, the Metabolomics Workbench, https://www.metabolomicsworkbench.org, where it has been assigned Project ID PR001285. The data can be accessed directly via it's Project DOI: 10.21228/M8MD8N This work is supported by NIH grant, U2C- DK119886.

See: https://www.metabolomicsworkbench.org/about/howtocite.php

This study contains a large results data set and is not available in the mwTab file. It is only available for download via FTP as data file(s) here.

Study ID	ST002023
Study Title	A targeted metabolomics study for assessing rodent thyroid toxicity
Study Summary	The thyroid gland regulates various physiological mechanisms in mammals/humans, such as individual development, cell proliferation and differentiation. Thus, disorders can lead to diseases. In this study, we aimed to apply targeted metabolomics approach to investigate rodent thyroid toxicity. For this purpose, male Wistar rats have been exposed to a direct (6-propyl-2-thiouracil, PTU) and an indirect (phenytoin) thyroid toxicant, respectively. Thereby, two doses (low:5ppm for PTU and 300ppm for phenytoin , high: 50ppm for PTU and 2400ppm for phenytoin) and three exposure time phase (short: 2 weeks, long:4 weeks, and long+recovery: 4weeks+2weeks) were investigated, allowing insights into the modes of action during thyroid toxicity. Targeted metabolomics were applied to both liver and thyroid gland tissue.
Institute	Helmholtz Centre for Environmental Research
Department	Department of Molecular Systems biology
Laboratory	Functional Metabolomics
Last Name	Wang
First Name	Zhipeng
Address	Permoserstraße 15, Leipzig, Saxony, 04318, Germany
Email	zhipeng.wang@ufz.de
Phone	+49 341 235 1078
Submit Date	2021-12-20
Raw Data Available	Yes
Raw Data File Type(s)	wiff
Analysis Type Detail	LC-MS
Release Date	2022-12-20
Release Version	1

Select appropriate tab below to view additional metadata details:

Project:

Project ID:	PR001285
Project DOI:	doi: 10.21228/M8MD8N
Project Title:	A targeted metabolomics study for assessing rodent thyroid toxicity
Project Summary:	The thyroid gland regulates various physiological mechanisms in mammals/humans, such as individual development, cell proliferation and differentiation. Thus, disorders can lead to diseases. In this study, we aimed to apply targeted metabolomics approach to investigate rodent thyroid toxicity. For this purpose, male Wistar rats have been exposed to a direct (6-propyl-2-thiouracil, PTU) and an indirect (phenytoin) thyroid toxicant, respectively. Thereby, two doses (low:5ppm for PTU and 300ppm for phenytoin , high: 50ppm for PTU and 2400ppm for phenytoin) and three exposure time phase (short: 2 weeks, long:4 weeks, and long+recovery: 4weeks+2weeks) were investigated, allowing insights into the modes of action during thyroid toxicity. Targeted metabolomics were applied to both liver and thyroid gland tissue.
Institute:	Helmholtz Centre for Environmental Research GmbH
Department:	Department of Molecular Systems biology
Laboratory:	Functional Metabolomics
Last Name:	Wang
First Name:	Zhipeng
Address:	Permoserstraße 15, Leipzig, Saxony, 04318, Germany
Email:	zhipeng.wang@ufz.de
Phone:	+49 341 235 1078

Subject:

Subject ID:	SU002105
Subject Type:	Mammal
Subject Species:	Rattus norvegicus
Taxonomy ID:	10116

Factors:

Subject type: Mammal; Subject species: Rattus norvegicus (Factor headings shown in green)

mb_sample_id	local_sample_id	Short sample name	Organ	Treatment	Concentration	Period	Recovery
SA189446	L-A103-G11-M	L103	Liver	Control	-	4 weeks	2 weeks
SA189447	L-A104-G11-M	L104	Liver	Control	-	4 weeks	2 weeks
SA189448	L-A105-G11-M	L105	Liver	Control	-	4 weeks	2 weeks
SA189449	L-A108-G11-M	L108	Liver	Control	-	4 weeks	2 weeks
SA189450	L-A110-G11-M	L110	Liver	Control	-	4 weeks	2 weeks
SA189451	L-A112-G12-M	L112	Liver	Phenytoin	300 ppm	4 weeks	2 weeks
SA189452	L-A114-G12-M	L114	Liver	Phenytoin	300 ppm	4 weeks	2 weeks
SA189453	L-A116-G12-M	L116	Liver	Phenytoin	300 ppm	4 weeks	2 weeks
SA189454	L-A117-G12-M	L117	Liver	Phenytoin	300 ppm	4 weeks	2 weeks
SA189455	L-A118-G12-M	L118	Liver	Phenytoin	300 ppm	4 weeks	2 weeks
SA189456	L-A122-G13-M	L122	Liver	Phenytoin	2400 ppm	4 weeks	2 weeks
SA189457	L-A123-G13-M	L123	Liver	Phenytoin	2400 ppm	4 weeks	2 weeks
SA189458	L-A124-G13-M	L124	Liver	Phenytoin	2400 ppm	4 weeks	2 weeks
SA189459	L-A127-G13-M	L127	Liver	Phenytoin	2400 ppm	4 weeks	2 weeks
SA189460	L-A128-G13-M	L128	Liver	Phenytoin	2400 ppm	4 weeks	2 weeks
SA189461	L-A12-G2-M	L12	Liver	Phenytoin	300 ppm	2 weeks	0 weeks
SA189462	L-A132-G14-M	L132	Liver	6-propyl-2-thiouracil	5 ppm	4 weeks	2 weeks
SA189463	L-A135-G14-M	L135	Liver	6-propyl-2-thiouracil	5 ppm	4 weeks	2 weeks
SA189464	L-A136-G14-M	L136	Liver	6-propyl-2-thiouracil	5 ppm	4 weeks	2 weeks
SA189465	L-A139-G14-M	L139	Liver	6-propyl-2-thiouracil	5 ppm	4 weeks	2 weeks
SA189466	L-A140-G14-M	L140	Liver	6-propyl-2-thiouracil	5 ppm	4 weeks	2 weeks
SA189467	L-A142-G15-M	L142	Liver	6-propyl-2-thiouracil	50 ppm	4 weeks	2 weeks
SA189468	L-A143-G15-M	L143	Liver	6-propyl-2-thiouracil	50 ppm	4 weeks	2 weeks
SA189469	L-A144-G15-M	L144	Liver	6-propyl-2-thiouracil	50 ppm	4 weeks	2 weeks
SA189470	L-A145-G15-M	L145	Liver	6-propyl-2-thiouracil	50 ppm	4 weeks	2 weeks
SA189471	L-A148-G15-M	L148	Liver	6-propyl-2-thiouracil	50 ppm	4 weeks	2 weeks
SA189472	L-A15-G2-M	L15	Liver	Phenytoin	300 ppm	2 weeks	0 weeks
SA189473	L-A16-G2-M	L16	Liver	Phenytoin	300 ppm	2 weeks	0 weeks
SA189474	L-A17-G2-M	L17	Liver	Phenytoin	300 ppm	2 weeks	0 weeks
SA189475	L-A18-G2-M	L18	Liver	Phenytoin	300 ppm	2 weeks	0 weeks
SA189476	L-A22-G3-M	L22	Liver	Phenytoin	2400 ppm	2 weeks	0 weeks
SA189477	L-A23-G3-M	L23	Liver	Phenytoin	2400 ppm	2 weeks	0 weeks
SA189478	L-A25-G3-M	L25	Liver	Phenytoin	2400 ppm	2 weeks	0 weeks
SA189479	L-A28-G3-M	L28	Liver	Phenytoin	2400 ppm	2 weeks	0 weeks
SA189480	L-A2-G1-M	L2	Liver	Control	-	2 weeks	0 weeks
SA189481	L-A30-G3-M	L30	Liver	Phenytoin	2400 ppm	2 weeks	0 weeks
SA189482	L-A32-G4-M	L32	Liver	6-propyl-2-thiouracil	5 ppm	2 weeks	0 weeks
SA189483	L-A33-G4-M	L33	Liver	6-propyl-2-thiouracil	5 ppm	2 weeks	0 weeks
SA189484	L-A34-G4-M	L34	Liver	6-propyl-2-thiouracil	5 ppm	2 weeks	0 weeks
SA189485	L-A36-G4-M	L36	Liver	6-propyl-2-thiouracil	5 ppm	2 weeks	0 weeks
SA189486	L-A38-G4-M	L38	Liver	6-propyl-2-thiouracil	5 ppm	2 weeks	0 weeks
SA189487	L-A43-G5-M	L43	Liver	6-propyl-2-thiouracil	50 ppm	2 weeks	0 weeks
SA189488	L-A45-G5-M	L45	Liver	6-propyl-2-thiouracil	50 ppm	2 weeks	0 weeks
SA189489	L-A47-G5-M	L47	Liver	6-propyl-2-thiouracil	50 ppm	2 weeks	0 weeks
SA189490	L-A48-G5-M	L48	Liver	6-propyl-2-thiouracil	50 ppm	2 weeks	0 weeks
SA189491	L-A49-G5-M	L49	Liver	6-propyl-2-thiouracil	50 ppm	2 weeks	0 weeks
SA189492	L-A4-G1-M	L4	Liver	Control	-	2 weeks	0 weeks
SA189493	L-A52-G6-M	L52	Liver	Control	-	4 weeks	0 weeks
SA189494	L-A53-G6-M	L53	Liver	Control	-	4 weeks	0 weeks
SA189495	L-A55-G6-M	L55	Liver	Control	-	4 weeks	0 weeks
SA189496	L-A56-G6-M	L56	Liver	Control	-	4 weeks	0 weeks
SA189497	L-A58-G6-M	L58	Liver	Control	-	4 weeks	0 weeks
SA189498	L-A5-G1-M	L5	Liver	Control	-	2 weeks	0 weeks
SA189499	L-A62-G7-M	L62	Liver	Phenytoin	300 ppm	4 weeks	0 weeks
SA189500	L-A65-G7-M	L65	Liver	Phenytoin	300 ppm	4 weeks	0 weeks
SA189501	L-A66-G7-M	L66	Liver	Phenytoin	300 ppm	4 weeks	0 weeks
SA189502	L-A67-G7-M	L67	Liver	Phenytoin	300 ppm	4 weeks	0 weeks
SA189503	L-A6-G1-M	L6	Liver	Control	-	2 weeks	0 weeks
SA189504	L-A70-G7-M	L70	Liver	Phenytoin	300 ppm	4 weeks	0 weeks
SA189505	L-A72-G8-M	L72	Liver	Phenytoin	2400 ppm	4 weeks	0 weeks
SA189506	L-A73-G8-M	L73	Liver	Phenytoin	2400 ppm	4 weeks	0 weeks
SA189507	L-A74-G8-M	L74	Liver	Phenytoin	2400 ppm	4 weeks	0 weeks
SA189508	L-A76-G8-M	L76	Liver	Phenytoin	2400 ppm	4 weeks	0 weeks
SA189509	L-A80-G8-M	L80	Liver	Phenytoin	2400 ppm	4 weeks	0 weeks
SA189510	L-A82-G9-M	L82	Liver	6-propyl-2-thiouracil	5 ppm	4 weeks	0 weeks
SA189511	L-A85-G9-M	L85	Liver	6-propyl-2-thiouracil	5 ppm	4 weeks	0 weeks
SA189512	L-A88-G9-M	L88	Liver	6-propyl-2-thiouracil	5 ppm	4 weeks	0 weeks
SA189513	L-A89-G9-M	L89	Liver	6-propyl-2-thiouracil	5 ppm	4 weeks	0 weeks
SA189514	L-A8-G1-M	L8	Liver	Control	-	2 weeks	0 weeks
SA189515	L-A90-G9-M	L90	Liver	6-propyl-2-thiouracil	5 ppm	4 weeks	0 weeks
SA189516	L-A92-G10-M	L92	Liver	6-propyl-2-thiouracil	50 ppm	4 weeks	0 weeks
SA189517	L-A93-G10-M	L93	Liver	6-propyl-2-thiouracil	50 ppm	4 weeks	0 weeks
SA189518	L-A94-G10-M	L94	Liver	6-propyl-2-thiouracil	50 ppm	4 weeks	0 weeks
SA189519	L-A96-G10-M	L96	Liver	6-propyl-2-thiouracil	50 ppm	4 weeks	0 weeks
SA189520	L-A98-G10-M	L98	Liver	6-propyl-2-thiouracil	50 ppm	4 weeks	0 weeks
SA189521	S-A103-G11-M	S103	Thyroid	Control	-	4 weeks	2 weeks
SA189522	S-A104-G11-M	S104	Thyroid	Control	-	4 weeks	2 weeks
SA189523	S-A105-G11-M	S105	Thyroid	Control	-	4 weeks	2 weeks
SA189524	S-A108-G11-M	S108	Thyroid	Control	-	4 weeks	2 weeks
SA189525	S-A110-G11-M	S110	Thyroid	Control	-	4 weeks	2 weeks
SA189526	S-A112-G12-M	S112	Thyroid	Phenytoin	300 ppm	4 weeks	2 weeks
SA189527	S-A114-G12-M	S114	Thyroid	Phenytoin	300 ppm	4 weeks	2 weeks
SA189528	S-A116-G12-M	S116	Thyroid	Phenytoin	300 ppm	4 weeks	2 weeks
SA189529	S-A117-G12-M	S117	Thyroid	Phenytoin	300 ppm	4 weeks	2 weeks
SA189530	S-A118-G12-M	S118	Thyroid	Phenytoin	300 ppm	4 weeks	2 weeks
SA189531	S-A122-G13-M	S122	Thyroid	Phenytoin	2400 ppm	4 weeks	2 weeks
SA189532	S-A123-G13-M	S123	Thyroid	Phenytoin	2400 ppm	4 weeks	2 weeks
SA189533	S-A124-G13-M	S124	Thyroid	Phenytoin	2400 ppm	4 weeks	2 weeks
SA189534	S-A127-G13-M	S127	Thyroid	Phenytoin	2400 ppm	4 weeks	2 weeks
SA189535	S-A128-G13-M	S128	Thyroid	Phenytoin	2400 ppm	4 weeks	2 weeks
SA189536	S-A12-G2-M	S12	Thyroid	Phenytoin	300 ppm	2 weeks	0 weeks
SA189537	S-A132-G14-M	S132	Thyroid	6-propyl-2-thiouracil	5 ppm	4 weeks	2 weeks
SA189538	S-A135-G14-M	S135	Thyroid	6-propyl-2-thiouracil	5 ppm	4 weeks	2 weeks
SA189539	S-A136-G14-M	S136	Thyroid	6-propyl-2-thiouracil	5 ppm	4 weeks	2 weeks
SA189540	S-A139-G14-M	S139	Thyroid	6-propyl-2-thiouracil	5 ppm	4 weeks	2 weeks
SA189541	S-A140-G14-M	S140	Thyroid	6-propyl-2-thiouracil	5 ppm	4 weeks	2 weeks
SA189542	S-A142-G15-M	S142	Thyroid	6-propyl-2-thiouracil	50 ppm	4 weeks	2 weeks
SA189543	S-A143-G15-M	S143	Thyroid	6-propyl-2-thiouracil	50 ppm	4 weeks	2 weeks
SA189544	S-A144-G15-M	S144	Thyroid	6-propyl-2-thiouracil	50 ppm	4 weeks	2 weeks
SA189545	S-A145-G15-M	S145	Thyroid	6-propyl-2-thiouracil	50 ppm	4 weeks	2 weeks

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Collection:

Collection ID:	CO002098
Collection Summary:	The animal experiment was done by our cooperative partner BASF. The liver and thyroid tissue samples were delivered to us with the protection of dry ice. And all samples was stored immediately under -80℃ until further analysis.
Sample Type:	Tissues

Treatment:

Treatment ID:	TR002117
Treatment Summary:	Two well-described test chemicals, i.e. Phenytoin and Propylthiouracil, were administered via the diet at each two concentrations to male Wistar rats for 2 and 4 weeks. In addition, a recovery period of 2 weeks without test substance application was included in order to monitor reversibility of the induced effects. Phenytoin was administered concentrations of 300 and 2400 ppm, Propylthiouracil was administered at concentrations of 5 and 50 ppm. Control animals received maintenance diet only without inclusion of any test substance.

Treatment ID:

TR002117

Treatment Summary:

Two well-described test chemicals, i.e. Phenytoin and Propylthiouracil, were administered via the diet at each two concentrations to male Wistar rats for 2 and 4 weeks. In addition, a recovery period of 2 weeks without test substance application was included in order to monitor reversibility of the induced effects. Phenytoin was administered concentrations of 300 and 2400 ppm, Propylthiouracil was administered at concentrations of 5 and 50 ppm. Control animals received maintenance diet only without inclusion of any test substance.

Sample Preparation:

Sampleprep ID:	SP002111
Sampleprep Summary:	Tissue metabolites were extracted according to our laboratory standard protocol. Briefly, about 100 mg liver and all received thyroid gland (2.4 - 34.1 mg) tissue materials were weighed and mixed with 5x extraction buffer (ACN / H2O: 1:1). With the help of added 4 metal balls, the tissue metabolites were separated by using a tissue slicer for 10 min at 30 Hz. After centrifugation of 2 min at 14,000 rpm, the metabolites containing supernatant were transfered to a fresh tube, and stored at -80℃ for further analysis. The targeted metabolomics was done by using MxP® Quant 500 kit (Biocrates). All analysis steps was followed by the manufactures from Biocrates.

Sampleprep ID:

SP002111

Sampleprep Summary:

Tissue metabolites were extracted according to our laboratory standard protocol. Briefly, about 100 mg liver and all received thyroid gland (2.4 - 34.1 mg) tissue materials were weighed and mixed with 5x extraction buffer (ACN / H2O: 1:1). With the help of added 4 metal balls, the tissue metabolites were separated by using a tissue slicer for 10 min at 30 Hz. After centrifugation of 2 min at 14,000 rpm, the metabolites containing supernatant were transfered to a fresh tube, and stored at -80℃ for further analysis. The targeted metabolomics was done by using MxP® Quant 500 kit (Biocrates). All analysis steps was followed by the manufactures from Biocrates.

Combined analysis:

Analysis ID	AN003293
Analysis type	MS
Chromatography type	Unspecified
Chromatography system	Agilent 1290 Infinity
Column	MxP Quant 500 System
MS Type	ESI
MS instrument type	Triple quadrupole
MS instrument name	ABI Sciex 5500 QTrap
Ion Mode	UNSPECIFIED
Units	µM

Chromatography:

Chromatography ID:	CH002432
Instrument Name:	Agilent 1290 Infinity
Column Name:	MxP Quant 500 System
Chromatography Type:	Unspecified

MS:

MS ID:	MS003063
Analysis ID:	AN003293
Instrument Name:	ABI Sciex 5500 QTrap
Instrument Type:	Triple quadrupole
MS Type:	ESI
MS Comments:	Both FIA and LC methods were used. Both positive and negative were used. The MS acquisition and Data processing were done following the manufacturer's instructions. from Biocrates
Ion Mode:	UNSPECIFIED