Summary of Study ST000284

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 PR000226. The data can be accessed directly via it's Project DOI: 10.21228/M8FG61 This work is supported by NIH grant, U2C- DK119886.

See: https://www.metabolomicsworkbench.org/about/howtocite.php

Study ID	ST000284
Study Title	Colorectal Cancer Detection Using Targeted Serum Metabolic Profiling
Study Summary	Colorectal cancer (CRC) is one of the most prevalent and deadly cancers in the world. Despite an expanding knowledge of its molecular pathogenesis during the past two decades, robust biomarkers to enable screening, surveillance, and therapy monitoring of CRC are still lacking. In this study, we present a targeted liquid chromatography-tandem mass spectrometry-based metabolic profiling approach for identifying biomarker candidates that could enable highly sensitive and specific CRC detection using human serum samples. In this targeted approach, 158 metabolites from 25 metabolic pathways of potential significance were monitored in 234 serum samples from three groups of patients (66 CRC patients, 76 polyp patients, and 92 healthy controls). Partial least squares-discriminant analysis (PLS-DA) models were established, which proved to be powerful for distinguishing CRC patients from both healthy controls and polyp patients. Receiver operating characteristic curves generated based on these PLS-DA models showed high sensitivities (0.96 and 0.89, respectively, for differentiating CRC patients from healthy controls or polyp patients); good specificities (0.80 and 0.88), and excellent areas under the curve (0.93 and 0.95) were also obtained. Monte Carlo cross validation (MCCV) was also applied, demonstrating the robust diagnostic power of this metabolic profiling approach.
Institute	University of Washington
Department	Anesthesiology and Pain Medicine
Laboratory	Northwest Metabolomics Research Center
Last Name	Gu
First Name	Haiwei
Address	850 Republican St.
Email	haiwei@uw.edu
Phone	7654919481
Submit Date	2015-12-15
Num Groups	3
Total Subjects	234
Num Males	118
Num Females	116
Publications	Colorectal Cancer Detection Using Targeted Serum Metabolic Profiling, J. Proteome. Res., 2014, 13, 4120-4130
Raw Data File Type(s)	wiff
Analysis Type Detail	LC-MS
Release Date	2015-12-16
Release Version	1

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Sample Preparation:

Sampleprep ID:	SP000312
Sampleprep Summary:	Frozen samples were first thawed at room temperature (25 °C) and 50 uL of each serum sample was placed in a 2 Scientific). The initial step for extraction was performed vortexed centrifuged at 20 800g for 10 min, and the supernatant was Eppendorf vial. To the first vial containing methanol was added, and the metabolite the supernatant was collected in the same vial that supernatant. The resulting supernatants dried using a Vacufuge dried mM ammonium acetate in 40% water/60% acetonitrile 5.13 ?M L-tyrosine-13C2 and 22.5 Laboratory). each through 0.45 ?m PVDF filters (Phenomenex, Torrance, analysis. A pooled sample, which was a polyp patients, and as sample and was analyzed once every 10 patient

Sampleprep ID:

SP000312

Sampleprep Summary:

Frozen samples were first thawed at room temperature (25 °C) and 50 uL of each serum sample was placed in a 2 Scientific). The initial step for extraction was performed vortexed centrifuged at 20 800g for 10 min, and the supernatant was Eppendorf vial. To the first vial containing methanol was added, and the metabolite the supernatant was collected in the same vial that supernatant. The resulting supernatants dried using a Vacufuge dried mM ammonium acetate in 40% water/60% acetonitrile 5.13 ?M L-tyrosine-13C2 and 22.5 Laboratory). each through 0.45 ?m PVDF filters (Phenomenex, Torrance, analysis. A pooled sample, which was a polyp patients, and as sample and was analyzed once every 10 patient