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.

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Study IDST002004
Study TitleMetabolomics analysis of anaerobic digesters
Study SummaryIn 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 NameChapleur
First NameOlivier
Address1 rue Pierre-Gilles de Gennes, 92761 Antony Cedex, FRANCE
Emailolivier.chapleur@inrae.fr
Phone+33 0140966506
Submit Date2021-11-26
Num Groups14
Raw Data AvailableYes
Raw Data File Type(s)mzXML
Analysis Type DetailLC-MS
Release Date2021-12-08
Release Version1
Olivier Chapleur Olivier Chapleur
https://dx.doi.org/10.21228/M8JM6B
ftp://www.metabolomicsworkbench.org/Studies/ application/zip

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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
SA187637d01A -
SA187638a01A -
SA187639c01A -
SA187640b01A -
SA187641a09A 177
SA187642d09A 177
SA187643c09A 177
SA187644b09A 177
SA187645b03A 218
SA187646c03A 218
SA187647d03A 218
SA187648a03A 218
SA187649a11A 281
SA187650d11A 281
SA187651c11A 281
SA187652b11A 281
SA187653b05A 353
SA187654a05A 353
SA187655c05A 353
SA187656d05A 353
SA187657a13A 462
SA187658b13A 462
SA187659d13A 462
SA187660c13A 462
SA187661b07A 80
SA187662a07A 80
SA187663d07A 80
SA187664c07A 80
SA187665b02B -
SA187666c02B -
SA187667d02B -
SA187668a02B -
SA187669c10B 177
SA187670d10B 177
SA187671b10B 177
SA187672a10B 177
SA187673b04B 218
SA187674a04B 218
SA187675c04B 218
SA187676d04B 218
SA187677d12B 281
SA187678b12B 281
SA187679a12B 281
SA187680c12B 281
SA187681a06B 353
SA187682b06B 353
SA187683d06B 353
SA187684c06B 353
SA187685d14B 462
SA187686a14B 462
SA187687c14B 462
SA187688b14B 462
SA187689b08B 80
SA187690d08B 80
SA187691a08B 80
SA187692c08B 80
SA187616blank_200605005825- -
SA187617blank_200605055939- -
SA187618blank_200605100030- -
SA187619blank_200604195714- -
SA187620blank_200605090020- -
SA187621blank_200604145613- -
SA187622blank_200603235248- -
SA187623blank_200604045400- -
SA187624blank_200604095509- -
SA187625pool08- -
SA187626pool09- -
SA187627pool6- -
SA187628pool7- -
SA187629pool- -
SA187630pool5- -
SA187631pool4- -
SA187632pool1- -
SA187633pool2- -
SA187634pool3- -
SA187635blank_200603195159- -
SA187636blank- -
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.

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.

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
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