Advantage of Applying OSC to (1)H NMR-Based Metabonomic Data of Celiac Disease.

Background: Celiac disease (CD) is a disorder associated with body reaction to gluten. After the gluten intake, an immune reaction against the protein occurs and damages villi of small intestine in celiac patients gradually.

Objectives: The OSC, a filtering method for minimization of inter- and intra-spectrometer variations that influence on data acquisition, was applied to biofluid NMR data of CD patients.

Patients And Methods: In this study, metabolites of total 56 serum samples from 12 CD patients, 15 CD patients taking gluten-free diet (GFD), and 29 healthy cases were analyzed using nuclear magnetic resonance (NMR) and associated theoretical analysis. Employing ProMetab (version ProMetab_v3_3) software, data obtained from NMR spectra were reduced and orthogonal signal correction (OSC) effect on celiac disease metabonomics before and after the separation by principle component analysis (PCA) was investigated.

Results: The three groups were separated by OSC and findings were analyzed by partial least squares discriminant analysis (PLS-DA) method. Root mean square error of calibration (RMSEc) and correlation coefficient of calibration (Rc) for PLS-DA referred to an efficient group separation filtered by OSC.

Conclusions: The applied leave-one-out cross-validation to PLS-DA method performed along with OSC confirmed validation of data analysis. Finally four metabolites are introduced as CD biomarkers.