Please use this identifier to cite or link to this item: http://hdl.handle.net/1942/18694
Title: Phenotyping human blood plasma by 1H-NMR: a robust protocol based on metabolite spiking and its evaluation in breast cancer
Authors: LOUIS, Evelyne 
BERVOETS, Liene 
REEKMANS, Gunter 
DE JONGE, Eric 
MESOTTEN, Liesbet 
THOMEER, Michiel 
ADRIAENSENS, Peter 
Issue Date: 2015
Publisher: SPRINGER
Source: METABOLOMICS, 11 (1), p. 225-236
Abstract: This study reports an accurate assignment of the resonance signals present in H-1-NMR spectra of human blood plasma. Hereto, blood plasma was spiked with 32 different metabolites in relevant concentrations since reported chemical shift values show quite some variability depending on the biofluid under study and the applied experimental measuring conditions. The resulting information was used to rationally divide the H-1-NMR spectrum in 110 well-defined integration regions for application in metabolomics. A case-control dataset of 53 breast cancer patients and 52 controls was investigated in order to demonstrate the proof of principle. After removal of noisy variables, i.e. variables exceeding a premised threshold for the coefficient of variation, the groups could be discriminated by OPLS-DA multivariate statistics with a sensitivity and specificity of 83 and 94 %, respectively. In addition, the classification was validated in a small but independent cohort. The proposed methodology might pave the way towards a better understanding of disturbances in disease-related biochemical pathways and so, to the clinical relevance of study findings.
Notes: [Louis, Evelyne; Bervoets, Liene; De Jonge, Eric; Mesotten, Liesbet; Thomeer, Michiel] Hasselt Univ, Fac Med & Life Sci, B-3500 Hasselt, Belgium. [Reekmans, Gunter; Adriaensens, Peter] Hasselt Univ, Inst Mat Res, B-3500 Hasselt, Belgium. [De Jonge, Eric] Ziekenhuis Oost Limburg, Dept Gynaecol, B-3600 Genk, Belgium. [Mesotten, Liesbet] Ziekenhuis Oost Limburg, Dept Nucl Med, B-3600 Genk, Belgium. [Thomeer, Michiel] Ziekenhuis Oost Limburg, Dept Resp Med, B-3600 Genk, Belgium. peter.adriaensens@uhasselt.be
Keywords: H-1-NMR spectroscopy; Human blood plasma; Metabolomics; Metabolite spiking; OPLS-DA multivariate statistics; Breast cancer;1H-NMR spectroscopy; human blood plasma; metabolomics; metabolite spiking; OPLS-DA multivariate statistics; breast cancer
Document URI: http://hdl.handle.net/1942/18694
Link to publication/dataset: https://www.academia.edu/28902865/Phenotyping_human_blood_plasma_by_1H-NMR_a_robust_protocol_based_on_metabolite_spiking_and_its_evaluation_in_breast_cancer
ISSN: 1573-3882
e-ISSN: 1573-3890
DOI: 10.1007/s11306-014-0690-6
ISI #: 000348343300021
Rights: © Springer Science+Business Media New York 2014.
Category: A1
Type: Journal Contribution
Validations: ecoom 2016
Appears in Collections:Research publications

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