Summary of Study ST003798

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 PR002373. The data can be accessed directly via it's Project DOI: 10.21228/M8WR76 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 IDST003798
Study TitleMetabolic signature in combination with fecal immunochemical test as a non-invasive tool for advanced colorectal neoplasia diagnosis
Study SummaryColorectal cancer (CRC) is one of the most prevalent cancers worldwide. Even the screening programs have decreased the incidence rates, the prognosis for CRC varies depending on the stage at the diagnosis. Thus, early diagnosis is still a big challenge because screening methods, and subsequent diagnosis, are not very sensitive. In this work, LC-MS based metabolomics, a powerful and sensitive tool to study complex dynamic changes, was used to analyse 211 human fecal samples from control individuals (CTRL), adenoma (AA), and CRC patients. Multivariate and univariate statistical analysis highlighted cholesteryl esters (CE) and fecal haemoglobin, quantified by fecal immunochemical test (FIT), as relevant biomarkers that clearly differentiate CRC from AA and CTRL. This study revealed that AA group is a transitionary stage with a high heterogeneity. The increased tendency observed in CEs from CTRL to CRC might be related with the imbalance of cholesterol homeostasis due to cancer cells requiring high cholesterol level for cell development and proliferation. The free cholesterol is probably obtained from CEs as it is the most effective way to obtain the needed cholesterol.
Institute
CICbiogUNE
Last NameAlboniga
First NameOihane
AddressBizkaia Technology Park, Bld.800, Derio, Bizkaia, 48160, Spain
Emailoalboniga@cicbiogune.es
Phone+34944061317
Submit Date2025-02-25
Raw Data AvailableYes
Raw Data File Type(s)mzML
Analysis Type DetailLC-MS
Release Date2025-07-15
Release Version1
Oihane Alboniga Oihane Alboniga
https://dx.doi.org/10.21228/M8WR76
ftp://www.metabolomicsworkbench.org/Studies/ application/zip

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Project:

Project ID:PR002373
Project DOI:doi: 10.21228/M8WR76
Project Title:Metabolic signature in combination with fecal immunochemical test (FIT) as a tool for colorectal cancer diagnosis
Project Summary:Colorectal cancer (CRC) is one of the most prevalent cancers worldwide. Even though the screening programs have decreased the incidence rates, the prognosis for CRC varies depending on the stage at the diagnosis. Thus, early diagnosis is still a big challenge due to screening methods, and subsequent diagnosis are not very sensitive. In this work, LC-MS based metabolomics, a powerful and sensitive tool to study complex dynamic changes, was used to analyse 211 human fecal samples from control individuals (CTRL), adenoma (AA), and CRC patients. Multivariate and univariate statistical analysis highlighted cholesteryl esters (CE) and fecal haemoglobin, quantified by fecal immunochemical test (FIT), as relevant biomarkers that clearly differentiate CRC from AA and CTRL. This study revealed that AA group is a transitionary stage with a high heterogeneity. The increased tendency observed in CEs from CTRL to CRC might be related with the imbalance of cholesterol homeostasis due to cancer cells requiring high cholesterol level for cell development and proliferation. The free cholesterol is probably obtained from CEs as it is the most effective way to obtain the needed cholesterol.
Institute:CICbiogUNE
Last Name:Alboniga
First Name:Oihane
Address:Bizkaia Technology Park, Bld.800, Derio, Bizkaia, 48160, Spain
Email:oalboniga@cicbiogune.es
Phone:+34944061317

Subject:

Subject ID:SU003932
Subject Type:Human
Subject Species:Homo sapiens
Taxonomy ID:9606

Factors:

Subject type: Human; Subject species: Homo sapiens (Factor headings shown in green)

mb_sample_id local_sample_id Group
SA415793owl-2323-166AA
SA415794owl-2323-199AA
SA415795owl-2323-181AA
SA415796owl-2323-213AA
SA415797owl-2323-097AA
SA415798owl-2323-102AA
SA415799owl-2323-109AA
SA415800owl-2323-120AA
SA415801owl-2323-015AA
SA415802owl-2323-135AA
SA415803owl-2323-029AA
SA415804owl-2323-057AA
SA415805owl-2323-096AA
SA415806owl-2323-158AA
SA415807owl-2323-204AA
SA415808owl-2323-040AA
SA415809owl-2323-069AA
SA415810owl-2323-179AA
SA415811owl-2323-143AA
SA415812owl-2323-185AA
SA415813owl-2323-017AA
SA415814owl-2323-164AA
SA415815owl-2323-092AA
SA415816owl-2323-083AA
SA415817owl-2323-212AA
SA415818owl-2323-030AA
SA415819owl-2323-156AA
SA415820owl-2323-169AA
SA415821owl-2323-196AA
SA415822owl-2323-170AA
SA415823owl-2323-173AA
SA415824owl-2323-093AA
SA415825owl-2323-129AA
SA415826owl-2323-174AA
SA415827owl-2323-207AA
SA415828owl-2323-113AA
SA415829owl-2323-171AA
SA415830owl-2323-147AA
SA415831owl-2323-186AA
SA415832owl-2323-167AA
SA415833owl-2323-180AA
SA415834owl-2323-099AA
SA415835owl-2323-094AA
SA415836owl-2323-125AA
SA415837owl-2323-161AA
SA415838owl-2323-138AA
SA415839owl-2323-203AA
SA415840owl-2323-117AA
SA415841owl-2323-208AA
SA415842owl-2323-205AA
SA415843owl-2323-076AA
SA415844owl-2323-043AA
SA415845owl-2323-191AA
SA415846owl-2323-192AA
SA415847owl-2323-198AA
SA415848owl-2323-142AA
SA415849owl-2323-071AA
SA415850owl-2323-052AA
SA415851owl-2323-068CRC
SA415852owl-2323-070CRC
SA415853owl-2323-121CRC
SA415854owl-2323-112CRC
SA415855owl-2323-114CRC
SA415856owl-2323-009CRC
SA415857owl-2323-035CRC
SA415858owl-2323-182CRC
SA415859owl-2323-047CRC
SA415860owl-2323-060CRC
SA415861owl-2323-059CRC
SA415862owl-2323-003CRC
SA415863owl-2323-027CRC
SA415864owl-2323-190CRC
SA415865owl-2323-195CRC
SA415866owl-2323-007CRC
SA415867owl-2323-188CRC
SA415868owl-2323-119CRC
SA415869owl-2323-018CRC
SA415870owl-2323-010CRC
SA415871owl-2323-081CRC
SA415872owl-2323-020CRC
SA415873owl-2323-141CRC
SA415874owl-2323-168CRC
SA415875owl-2323-062CRC
SA415876owl-2323-085CRC
SA415877owl-2323-004CRC
SA415878owl-2323-038CRC
SA415879owl-2323-022CRC
SA415880owl-2323-001CRC
SA415881owl-2323-063CRC
SA415882owl-2323-045CRC
SA415883owl-2323-172CRC
SA415884owl-2323-023CRC
SA415885owl-2323-032CRC
SA415886owl-2323-014CRC
SA415887owl-2323-159CRC
SA415888owl-2323-025CRC
SA415889owl-2323-049CRC
SA415890owl-2323-028CRC
SA415891owl-2323-026CRC
SA415892owl-2323-058CRC
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Collection:

Collection ID:CO003925
Collection Summary:Patients and control individuals self-collected a fecal sample from one bowel movement without specific diet or medication restrictions at home the week before a colonoscopy was performed and delivered to the hospital. The fecal sample was sent to the laboratory in less than 4 hours, split in aliquots and immediately frozen at -80 °C. An additional sample was collected using the FIT collector and fecal haemoglobin concentration was assessed using the automated OCsensor™ (Eiken Chemical Co, Tokyo, Japan). Fecal haemoglobin concentration was considered positive if ≥ 20 µg Hb/g feces.
Sample Type:Feces

Treatment:

Treatment ID:TR003941
Treatment Summary:No treatment was used in this project.

Sample Preparation:

Sampleprep ID:SP003938
Sampleprep Summary:15 mg of fecal extracts were mixed with 45 µL sodium chloride (50 mM) and spiked with metabolites not detected in unspiked human normal extracts [SM(d18:1/16:0), PE (17:0/17:0), PC (19:0/19:0), TAG (13:0/13:0/13:0), Cer (d18:1/17:0), and CE (12:0)]. Samples were then vortexed and incubated for 1 hour at -20 °C. After centrifugation at 18,000 x g for 15 minutes at 4 °C, 50 µL of the organic phase was collected, and the remaining solvent discarded. The dried extracts were then reconstituted in 1000 µL of acetonitrile/isopropanol (1:1), centrifuged (18,000 x g for 5 minutes), and transferred to vials for UHPLC-MS analysis. This extraction method allowed the optimal profiling of previous mentioned lipid classes.

Chromatography:

Chromatography ID:CH004734
Chromatography Summary:Solvent A: H2O/ACN (2:3) with 10 mM ammonium formate; Solvent B: ACN/IPA (1:3) with 10 mM ammonium formate; The gradient started from 60% A and 40% B, with a 10-minutes linear gradient increasing from 40% to 100% B. After 5 minutes at 100% B, the mobile phase was reset to the initial composition. Total run time 17 min.
Instrument Name:Waters Acquity
Column Name:Waters ACQUITY UPLC CSH C18 (100 x 2.1mm,1.7um)
Column Temperature:60
Flow Gradient:The gradient started from 40% B, with a 10-minutes linear increase to 100% B. After 5 minutes at 100% B, the mobile phase was reset to the initial composition. Total run time 17 min.
Flow Rate:0.4 mL/min
Solvent A:40% water/60% acetonitrile; 10 mM ammonium formate
Solvent B:25% acetonitrile/75% isopropanol; 10 mM ammonium formate
Chromatography Type:Reversed phase

Analysis:

Analysis ID:AN006243
Analysis Type:MS
Chromatography ID:CH004734
Num Factors:3
Num Metabolites:127
Units:normalized abundance
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