Journal article

Nuclear magnetic resonance metabonomic profiling using tO2PLS

Gemma M Kirwan, Timothy Hancock, Kathryn Hassell, Julie O Niere, Dayanthi Nugegoda, Susumu Goto, Michael J Adams

Analytica Chimica Acta | ELSEVIER SCIENCE BV | Published : 2013

Abstract

Blood plasma collected from adult fish (black bream, Sparidae) exposed to a dose of 5 mg kg(-1) 17β-estradiol underwent metabonomic profiling using nuclear magnetic resonance (NMR). An extension of the orthogonal 2 projection to latent structure (O2PLS) analysis, tO2PLS, was proposed and utilized to classify changes between the control and experimental metabolic profiles. As a bidirectional modeling tool, O2PLS examines the (variable) commonality between two different data blocks, and extracts the joint correlations as well as the unique variations present within each data block. tO2PLS is a proposed matrix transposition of O2PLS to allow for commonality between experiments (spectral profile..

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University of Melbourne Researchers