Summary of Study ST002004

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 PR001270. The data can be accessed directly via it's Project DOI: 10.21228/M8JM6B 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.

Show all samples | Perform analysis on untargeted data
Download mwTab file (text) | Download mwTab file(JSON) | Download data files (Contains raw data)

Study ID	ST002004
Study Title	Metabolomics analysis of anaerobic digesters
Study Summary	In order to identify metabolites descriptive of alterations of the working themperature during the process of anaerobic digestion, we performed untargeted metabolomics on samples of sewage sludge collected from two reactors working in parallel but with different temperature settings.
Institute	INRAE
Last Name	Chapleur
First Name	Olivier
Address	1 rue Pierre-Gilles de Gennes, 92761 Antony Cedex, FRANCE
Email	olivier.chapleur@inrae.fr
Phone	+33 0140966506
Submit Date	2021-11-26
Num Groups	14
Raw Data Available	Yes
Raw Data File Type(s)	mzXML
Analysis Type Detail	LC-MS
Release Date	2021-12-08
Release Version	1

Select appropriate tab below to view additional metadata details:

Project:

Project ID:	PR001270
Project DOI:	doi: 10.21228/M8JM6B
Project Title:	A longitudinal study of the effect of temperature modification in full-scale anaerobic digesters
Project Summary:	In order to identify metabolites descriptive of alterations of the working themperature during the process of anaerobic digestion, we performed untargeted metabolomics on samples of sewage sludge collected from two reactors working in parallel but with different temperature settings.
Institute:	INRAE
Department:	Microbiology and the food chain
Laboratory:	PRocédés biOtechnologiques au Service de l'Environnement
Last Name:	Chapleur
First Name:	Olivier
Address:	1 rue Pierre-Gilles de Gennes, 92761 Antony Cedex, FRANCE
Email:	olivier.chapleur@inrae.fr
Phone:	+33 0140966506
Funding Source:	ANR

Subject:

Subject ID:	SU002085
Subject Type:	Other abiotic sample

Factors:

Subject type: Other abiotic sample; Subject species: - (Factor headings shown in green)

mb_sample_id	local_sample_id	Reactor	Day
SA187637	d01	A	-
SA187638	a01	A	-
SA187639	c01	A	-
SA187640	b01	A	-
SA187641	a09	A	177
SA187642	d09	A	177
SA187643	c09	A	177
SA187644	b09	A	177
SA187645	b03	A	218
SA187646	c03	A	218
SA187647	d03	A	218
SA187648	a03	A	218
SA187649	a11	A	281
SA187650	d11	A	281
SA187651	c11	A	281
SA187652	b11	A	281
SA187653	b05	A	353
SA187654	a05	A	353
SA187655	c05	A	353
SA187656	d05	A	353
SA187657	a13	A	462
SA187658	b13	A	462
SA187659	d13	A	462
SA187660	c13	A	462
SA187661	b07	A	80
SA187662	a07	A	80
SA187663	d07	A	80
SA187664	c07	A	80
SA187665	b02	B	-
SA187666	c02	B	-
SA187667	d02	B	-
SA187668	a02	B	-
SA187669	c10	B	177
SA187670	d10	B	177
SA187671	b10	B	177
SA187672	a10	B	177
SA187673	b04	B	218
SA187674	a04	B	218
SA187675	c04	B	218
SA187676	d04	B	218
SA187677	d12	B	281
SA187678	b12	B	281
SA187679	a12	B	281
SA187680	c12	B	281
SA187681	a06	B	353
SA187682	b06	B	353
SA187683	d06	B	353
SA187684	c06	B	353
SA187685	d14	B	462
SA187686	a14	B	462
SA187687	c14	B	462
SA187688	b14	B	462
SA187689	b08	B	80
SA187690	d08	B	80
SA187691	a08	B	80
SA187692	c08	B	80
SA187616	blank_200605005825	-	-
SA187617	blank_200605055939	-	-
SA187618	blank_200605100030	-	-
SA187619	blank_200604195714	-	-
SA187620	blank_200605090020	-	-
SA187621	blank_200604145613	-	-
SA187622	blank_200603235248	-	-
SA187623	blank_200604045400	-	-
SA187624	blank_200604095509	-	-
SA187625	pool08	-	-
SA187626	pool09	-	-
SA187627	pool6	-	-
SA187628	pool7	-	-
SA187629	pool	-	-
SA187630	pool5	-	-
SA187631	pool4	-	-
SA187632	pool1	-	-
SA187633	pool2	-	-
SA187634	pool3	-	-
SA187635	blank_200603195159	-	-
SA187636	blank	-	-

Showing results 1 to 77 of 77

Showing results 1 to 77 of 77

Collection:

Collection ID:	CO002078
Collection Summary:	Sludge samples from two reactors were collected at days 0, 80, 177, 218, 281, 353, and 462. Sludge was collected in 50-mL sterile Falcon tubes and immediately transported on dry ice to INRAE, where they were frozen at -80 °C.
Sample Type:	Sewage sludge

Treatment:

Treatment ID:	TR002097
Treatment Summary:	During the time of the experiment, both reactors (3,000 m3 each) worked at half capacity due to a constraint in the availability of substrate to treat. On average, the full-scale digesters were operated at a mean hydraulic retention time (HRT) of 34 days and a mean organic loading rate of 0.82 kg of volatile solids m-3 day-1. For the first four months of study, the two reactors operated at 35 °C. Reactor A was kept at this temperature during all the experiment. For digester B, the temperature was decreased abruptly to 30 °C on the 123th day and maintained at this level for 2 HRTs until the 190th day. Then, the temperature was modified to 25 °C and maintained for 3 HRTs (between the 191st and the 373th days). Finally, the heating of reactor B was increased from day 374 onwards to reach the initial temperature of 35 °C.

Treatment ID:

TR002097

Treatment Summary:

During the time of the experiment, both reactors (3,000 m3 each) worked at half capacity due to a constraint in the availability of substrate to treat. On average, the full-scale digesters were operated at a mean hydraulic retention time (HRT) of 34 days and a mean organic loading rate of 0.82 kg of volatile solids m-3 day-1. For the first four months of study, the two reactors operated at 35 °C. Reactor A was kept at this temperature during all the experiment. For digester B, the temperature was decreased abruptly to 30 °C on the 123th day and maintained at this level for 2 HRTs until the 190th day. Then, the temperature was modified to 25 °C and maintained for 3 HRTs (between the 191st and the 373th days). Finally, the heating of reactor B was increased from day 374 onwards to reach the initial temperature of 35 °C.

Sample Preparation:

Sampleprep ID:	SP002091
Sampleprep Summary:	For every sample, four aliquots with 0.75 mL of sludge were prepared in 2-mL Eppendorf tubes. Then, 1 mL of phosphate buffer saline was added into each tube and the sludge volumes were washed by centrifuging them at 15500 rcf for 3 min at 4 °C. This process was repeated once. The samples were freeze-dried overnight and, for every sample, 20 mg of dried sludge were transferred in new Eppendorf tubes. Then, the dried sludge powders were resuspended in 1 mL of a cold ddH2O: MeOH mixture (1:1) containing 2.5 mM PIPES. The samples were sonicated for 6 min, and submerged in liquid nitrogen. After one minute, the samples were thawed in ice. The cold-shock step was repeated twice. Afterwards, the samples were agitated for 15 min at 420 rpm in an orbital shaker. Following this, the samples were centrifuged at 15500 rcf for 3 min at 4 °C and the supernatants were collected. The supernatants were immediately filtered with 0.45 μM Nylon filters and freeze-dried overnight. The dried extracts were left at -80°C until the HPLC-MS analyses.

Sampleprep ID:

SP002091

Sampleprep Summary:

For every sample, four aliquots with 0.75 mL of sludge were prepared in 2-mL Eppendorf tubes. Then, 1 mL of phosphate buffer saline was added into each tube and the sludge volumes were washed by centrifuging them at 15500 rcf for 3 min at 4 °C. This process was repeated once. The samples were freeze-dried overnight and, for every sample, 20 mg of dried sludge were transferred in new Eppendorf tubes. Then, the dried sludge powders were resuspended in 1 mL of a cold ddH2O: MeOH mixture (1:1) containing 2.5 mM PIPES. The samples were sonicated for 6 min, and submerged in liquid nitrogen. After one minute, the samples were thawed in ice. The cold-shock step was repeated twice. Afterwards, the samples were agitated for 15 min at 420 rpm in an orbital shaker. Following this, the samples were centrifuged at 15500 rcf for 3 min at 4 °C and the supernatants were collected. The supernatants were immediately filtered with 0.45 μM Nylon filters and freeze-dried overnight. The dried extracts were left at -80°C until the HPLC-MS analyses.

Combined analysis:

Analysis ID	AN003267
Analysis type	MS
Chromatography type	HILIC
Chromatography system	Thermo Accela 1250
Column	Macherey Nagel Nucleodur HILIC (100 x 2 mm,1.8um)
MS Type	ESI
MS instrument type	Orbitrap
MS instrument name	Thermo LTQ XL
Ion Mode	POSITIVE
Units	Peak areas

Chromatography:

Chromatography ID:	CH002411
Instrument Name:	Thermo Accela 1250
Column Name:	Macherey Nagel Nucleodur HILIC (100 x 2 mm,1.8um)
Flow Gradient:	95% B: 3 min, 95% - 60% B: 3 - 14 min, 60% - 95 % B: 14 -24 min, 95% B: 24 - 29 min
Flow Rate:	0.4 mL/min
Sample Injection:	10 µL
Solvent A:	100% water; 50 mM ammonium acetate, pH 5
Solvent B:	100% acetonitrile
Chromatography Type:	HILIC

MS:

MS ID:	MS003039
Analysis ID:	AN003267
Instrument Name:	Thermo LTQ XL
Instrument Type:	Orbitrap
MS Type:	ESI
MS Comments:	XCMS online for assignment METLIN, HMDB
Ion Mode:	POSITIVE
Capillary Temperature:	320 °C