Summary of Study ST003415
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 PR001661. The data can be accessed directly via it's Project DOI: 10.21228/M80Q6D This work is supported by NIH grant, U2C- DK119886. See: https://www.metabolomicsworkbench.org/about/howtocite.php
| Study ID | ST003415 |
| Study Title | Role of environmental toxicants in obesity-related cardiovascular disease- Part 3 GC-MS analysis of adipose tissue |
| Study Summary | Lipophilic pollutants, particularly persistent organic pollutants (POPs), bioaccumulate in adipose tissue. We hypothesize that pollutants that accumulate in fat depots promote adipose tissue dysfunction, in part, by activating inflammatory and pro-atherogenic signaling pathways implicated in the pathogenesis of cardiovascular disease. Untargeted analyses of pollutants in adipose tissues and blood from lean individuals and obese subjects at the time of bariatric surgery, with repeat measures. |
| Institute | Boston University |
| Last Name | Noyan |
| First Name | Gocke |
| Address | Boston University Medical Center |
| Noyan.Gokce@bmc.org | |
| Phone | 617414 1565 |
| Submit Date | 2024-07-31 |
| Raw Data Available | Yes |
| Raw Data File Type(s) | mzML |
| Analysis Type Detail | GC-MS |
| Release Date | 2025-08-22 |
| Release Version | 1 |
Select appropriate tab below to view additional metadata details:
Project:
| Project ID: | PR001661 |
| Project DOI: | doi: 10.21228/M80Q6D |
| Project Title: | Untargeted analysis of plasma |
| Project Summary: | Untargeted analysis of plasma from lean individuals and obese subjects at the time of bariatric surgery, with some repeat measures. |
| Institute: | Icahn School of Medicine at Mount Sinai |
| Last Name: | Petrick |
| First Name: | Lauren |
| Address: | 1428 Madison Avenue, Atran Building |
| Email: | lauren.petrick@mssm.edu |
| Phone: | 9739976141 |
| Funding Source: | Support was provided by the Human Health Exposure Analysis Resource Coordinating Center: Westat, Inc.: O’Brien B (U24 ES026539), and the Human Health Exposure Analysis Data Center: Icahn School of Medicine at Mount Sinai: Teitelbaum S (U2CES026555) |
Subject:
| Subject ID: | SU003542 |
| Subject Type: | Human |
| Subject Species: | Homo sapiens |
| Taxonomy ID: | 9606 |
| Species Group: | Mammals |
Factors:
Subject type: Human; Subject species: Homo sapiens (Factor headings shown in green)
| mb_sample_id | local_sample_id | Sample source | Timepoint_uom |
|---|---|---|---|
| SA376652 | B4_042_LQC | Adipose tissue | - |
| SA376653 | B11_015_LQC | Adipose tissue | - |
| SA376654 | B4_015_LQC | Adipose tissue | - |
| SA376655 | B4_016_LQC | Adipose tissue | - |
| SA376656 | B4_017_LQC | Adipose tissue | - |
| SA376657 | B4_028_LQC | Adipose tissue | - |
| SA376658 | B8_040_LQC | Adipose tissue | - |
| SA376659 | B10_050_LQC | Adipose tissue | - |
| SA376660 | B11_017_LQC | Adipose tissue | - |
| SA376661 | B10_049_LQC | Adipose tissue | - |
| SA376662 | B10_048_LQC | Adipose tissue | - |
| SA376663 | B4_048_LQC | Adipose tissue | - |
| SA376664 | B4_049_LQC | Adipose tissue | - |
| SA376665 | B4_050_LQC | Adipose tissue | - |
| SA376666 | B10_042_LQC | Adipose tissue | - |
| SA376667 | B10_040_LQC | Adipose tissue | - |
| SA376668 | B11_016_LQC | Adipose tissue | - |
| SA376669 | B3_050_LQC | Adipose tissue | - |
| SA376670 | B5_016_LQC | Adipose tissue | - |
| SA376671 | B11_040_LQC | Adipose tissue | - |
| SA376672 | B11_048_LQC | Adipose tissue | - |
| SA376673 | B9_017_LQC | Adipose tissue | - |
| SA376674 | B8_042_LQC | Adipose tissue | - |
| SA376675 | B11_042_LQC | Adipose tissue | - |
| SA376676 | B2_048_LQC | Adipose tissue | - |
| SA376677 | B2_049_LQC | Adipose tissue | - |
| SA376678 | B2_050_LQC | Adipose tissue | - |
| SA376679 | B3_015_LQC | Adipose tissue | - |
| SA376680 | B3_049_LQC | Adipose tissue | - |
| SA376681 | B3_016_LQC | Adipose tissue | - |
| SA376682 | B3_017_LQC | Adipose tissue | - |
| SA376683 | B3_028_LQC | Adipose tissue | - |
| SA376684 | B3_040_LQC | Adipose tissue | - |
| SA376685 | B3_042_LQC | Adipose tissue | - |
| SA376686 | B11_028_LQC | Adipose tissue | - |
| SA376687 | B3_048_LQC | Adipose tissue | - |
| SA376688 | B5_015_LQC | Adipose tissue | - |
| SA376689 | B5_017_LQC | Adipose tissue | - |
| SA376690 | B11_049_LQC | Adipose tissue | - |
| SA376691 | B7_040_LQC | Adipose tissue | - |
| SA376692 | B9_048_LQC | Adipose tissue | - |
| SA376693 | B9_042_LQC | Adipose tissue | - |
| SA376694 | B9_040_LQC | Adipose tissue | - |
| SA376695 | B7_015_LQC | Adipose tissue | - |
| SA376696 | B7_016_LQC | Adipose tissue | - |
| SA376697 | B7_017_LQC | Adipose tissue | - |
| SA376698 | B7_028_LQC | Adipose tissue | - |
| SA376699 | B7_042_LQC | Adipose tissue | - |
| SA376700 | B6_050_LQC | Adipose tissue | - |
| SA376701 | B7_048_LQC | Adipose tissue | - |
| SA376702 | B7_049_LQC | Adipose tissue | - |
| SA376703 | B7_050_LQC | Adipose tissue | - |
| SA376704 | B9_028_LQC | Adipose tissue | - |
| SA376705 | B8_015_LQC | Adipose tissue | - |
| SA376706 | B8_016_LQC | Adipose tissue | - |
| SA376707 | B8_017_LQC | Adipose tissue | - |
| SA376708 | B9_049_LQC | Adipose tissue | - |
| SA376709 | B6_049_LQC | Adipose tissue | - |
| SA376710 | B5_028_LQC | Adipose tissue | - |
| SA376711 | B6_016_LQC | Adipose tissue | - |
| SA376712 | B5_040_LQC | Adipose tissue | - |
| SA376713 | B5_042_LQC | Adipose tissue | - |
| SA376714 | B10_028_LQC | Adipose tissue | - |
| SA376715 | B5_048_LQC | Adipose tissue | - |
| SA376716 | B5_049_LQC | Adipose tissue | - |
| SA376717 | B5_050_LQC | Adipose tissue | - |
| SA376718 | B6_015_LQC | Adipose tissue | - |
| SA376719 | B6_017_LQC | Adipose tissue | - |
| SA376720 | B6_048_LQC | Adipose tissue | - |
| SA376721 | B6_028_LQC | Adipose tissue | - |
| SA376722 | B10_017_LQC | Adipose tissue | - |
| SA376723 | B6_040_LQC | Adipose tissue | - |
| SA376724 | B10_016_LQC | Adipose tissue | - |
| SA376725 | B6_042_LQC | Adipose tissue | - |
| SA376726 | B10_015_LQC | Adipose tissue | - |
| SA376727 | B9_050_LQC | Adipose tissue | - |
| SA376728 | B2_042_LQC | Adipose tissue | - |
| SA376729 | B4_040_LQC | Adipose tissue | - |
| SA376730 | B2_040_LQC | Adipose tissue | - |
| SA376731 | B1_040_LQC | Adipose tissue | - |
| SA376732 | B2_015_LQC | Adipose tissue | - |
| SA376733 | B9_016_LQC | Adipose tissue | - |
| SA376734 | B9_015_LQC | Adipose tissue | - |
| SA376735 | B12_015_LQC | Adipose tissue | - |
| SA376736 | B12_016_LQC | Adipose tissue | - |
| SA376737 | B12_017_LQC | Adipose tissue | - |
| SA376738 | B1_050_LQC | Adipose tissue | - |
| SA376739 | B1_049_LQC | Adipose tissue | - |
| SA376740 | B1_048_LQC | Adipose tissue | - |
| SA376741 | B1_042_LQC | Adipose tissue | - |
| SA376742 | B1_028_LQC | Adipose tissue | - |
| SA376743 | B2_017_LQC | Adipose tissue | - |
| SA376744 | B1_017_LQC | Adipose tissue | - |
| SA376745 | B1_016_LQC | Adipose tissue | - |
| SA376746 | B1_015_LQC | Adipose tissue | - |
| SA376747 | B12_028_LQC | Adipose tissue | - |
| SA376748 | B8_048_LQC | Adipose tissue | - |
| SA376749 | B8_049_LQC | Adipose tissue | - |
| SA376750 | B8_050_LQC | Adipose tissue | - |
| SA376751 | B12_048_LQC | Adipose tissue | - |
Collection:
| Collection ID: | CO003535 |
| Collection Summary: | Adipose tissues were collected from different fat depots during two surgeries (biopsied before (Visit 1) and after (Visit 2) weight loss). Two types of body fat were collected: Subcutaneous and Visceral. |
| Sample Type: | Adipose tissue |
Treatment:
| Treatment ID: | TR003551 |
| Treatment Summary: | Measures before (visit_1) and after (visit_2) bariatric surgery. |
Sample Preparation:
| Sampleprep ID: | SP003549 |
| Sampleprep Summary: | In the allocated randomized order, about 20 mg of frozen adipose tissue samples were weighed and transferred to lysing tubes. To the tubes, 100% LC-MS grade formic acid and extraction solvent (80% acetonitrile:ethyl acetate spiked with 10ppb of Internal Standards [IS]) were added and allowed to sit on ice for a minute. Following this, the tissues were mechanically homogenized at 4C. The tubes were then centrifuged at 12500 RPM for 5 min at 4°C and the supernatant was transferred to 1.5mL microcentrifuge tube containing 100μL water. The original lysing tubes was re-extracted again as above and the supernatant pooled, giving a final ratio of 4:1 (organic:aqueous). Phospholipids were removed using ISOLUTE PLD+ tubes as per the manufacture’s protocol. The eluent was collected in a 4 mL glass tubes containing 100μL of ice cold MQ water (7:1, organic:aqueous). 100% hexane was added to the glass tubes, vortexed for 60 mins, then stored at -20°C overnight. The tubes were then vortexed, centrifuged at 3500 rpm for 10min at 4°C, and the hexane fraction was transferred to a new tube containing pre-weighed dSPE powder to remove residual water and contaminants. The tubes were vortexed, centrifuged at3500 rpm for 10min at 4°C, and the supernatant transferred to 2mL GC vials and evaporated under a gentle stream of nitrogen to dryness. Vials were reconstituted with 300μL of 80% hexane:ethyl acetate for analysis. A small aliquot (10μL) from each sample across all batches was pooled together to prepare the pooled QC (LQC). The procedure blanks and external QC samples underwent the same extraction procedure using 100 μL of MilliQ water instead of tissue. |
Combined analysis:
| Analysis ID | AN005614 |
|---|---|
| Chromatography ID | CH004265 |
| MS ID | MS005339 |
| Analysis type | MS |
| Chromatography type | GC |
| Chromatography system | Thermo Trace 1310 |
| Column | Agilent DB5-MS (30m x 0.25mm, 0.25um) |
| MS Type | EI |
| MS instrument type | Orbitrap |
| MS instrument name | Thermo Q Exactive Orbitrap |
| Ion Mode | POSITIVE |
| Units | AU |
Chromatography:
| Chromatography ID: | CH004265 |
| Chromatography Summary: | GC-MS |
| Instrument Name: | Thermo Trace 1310 |
| Column Name: | Agilent DB5-MS (30m x 0.25mm, 0.25um) |
| Column Temperature: | The oven temperature gradient was set at an initial temperature of 50°C held for 2.5 min, followed by ramp of 25°C/min to 180°C and held for 1 min and then to 250°C at a rate of 6°C/min and then raised to 320°C at a rate of 10°C/min and held for 15min |
| Flow Gradient: | none |
| Flow Rate: | none |
| Solvent A: | none |
| Solvent B: | none |
| Chromatography Type: | GC |
MS:
| MS ID: | MS005339 |
| Analysis ID: | AN005614 |
| Instrument Name: | Thermo Q Exactive Orbitrap |
| Instrument Type: | Orbitrap |
| MS Type: | EI |
| MS Comments: | The Programmable Temperature Variable (PTV) inlet was maintained at an initial temperature of 60°C with a split flow of 20mL/min. During the injection phases the PTV inlet was raised to 300°C in 1 min at a rate of 2.5°C/sec. The He carrier gas flow was maintained at a constant flow of 1.5mL/min operated under vacuum compensation mode. The transfer line temperature was maintained at 280°C throughout the run. On the MS, the analytes were scanned across a scan range of 65-975 m/z at 60000 resolution (FWHM) with an automated gain control set to 1e6. Both the MS transfer line and ion source temperatures were set at 280°C. |
| Ion Mode: | POSITIVE |