Univariate and multivariate molecular spectral analyses of lipid related molecular structural components in relation to nutrient profile in feed and food mixtures

• Published in: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy Molecular and biomolecular spectroscopy, 2013-02, Vol.102, p.432-442
• Main Authors: Abeysekara, Saman, Damiran, Daalkhaijav, Yu, Peiqiang
• Format: Article
• Language: English
• Subjects: Lipid structure make-up; Molecular spectral analyses; Nutrient profiles
• ISSN: 1386-1425
• DOI: 10.1016/j.saa.2012.09.064

Typical lipid-related spectra regions (offset scale) in feed and food mixtures. [Display omitted] ► Feed combination affects lipid related molecular spectral intensity. ► PCA analyses are unable to distinct treatment differences. ► HCA differentiated lipid-related molecular spectral difference. ► The changes of lipid molecular structure are associated with nutrient functionality. The objectives of this study were (i) to determine lipid related molecular structures components (functional groups) in feed combination of cereal grain (barley, Hordeum vulgare) and wheat (Triticum aestivum) based dried distillers grain solubles (wheat DDGSs) from bioethanol processing at five different combination ratios using univariate and multivariate molecular spectral analyses with infrared Fourier transform molecular spectroscopy, and (ii) to correlate lipid-related molecular-functional structure spectral profile to nutrient profiles. The spectral intensity of (i) CH3 asymmetric, CH2 asymmetric, CH3 symmetric and CH2 symmetric groups, (ii) unsaturation (CC) group, and (iii) carbonyl ester (CO) group were determined. Spectral differences of functional groups were detected by hierarchical cluster analysis (HCA) and principal components analysis (PCA). The results showed that the combination treatments significantly inflicted modifications (P