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.
| 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 |
| 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 |
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 |
