title: Combining vibrational biomolecular spectroscopy with chemometric techniques for the study of response and sensitivity of molecular structures/functional groups mainly related to lipid biopolymer to various processing applications.
abstract: The objectives of this project were to (1) combine vibrational spectroscopy with chemometric multivariate techniques to determine the effect of processing applications on molecular structural changes of lipid biopolymer that mainly related to functional groups in green- and yellow-type Crop Development Centre (CDC) pea varieties [CDC strike (green-type) vs. CDC meadow (yellow-type)] that occurred during various processing applications; (2) relatively quantify the effect of processing applications on the antisymmetric CH3 ("CH3as") and CH2 ("CH2as") (ca. 2960 and 2923 cm(-1), respectively), symmetric CH3 ("CH3s") and CH2 ("CH2s") (ca. 2873 and 2954 cm(-1), respectively) functional groups and carbonyl C=O ester (ca. 1745 cm(-1)) spectral intensities as well as their ratios of antisymmetric CH3 to antisymmetric CH2 (ratio of CH3as to CH2as), ratios of symmetric CH3 to symmetric CH2 (ratio of CH3s to CH2s), and ratios of carbonyl C=O ester peak area to total CH peak area (ratio of C=O ester to CH); and (3) illustrate non-invasive techniques to detect the sensitivity of individual molecular functional group to the various processing applications in the recently developed different types of pea varieties. The hypothesis of this research was that processing applications modified the molecular structure profiles in the processed products as opposed to original unprocessed pea seeds. The results showed that the different processing methods had different impacts on lipid molecular functional groups. Different lipid functional groups had different sensitivity to various heat processing applications. These changes were detected by advanced molecular spectroscopy with chemometric techniques which may be highly related to lipid utilization and availability. The multivariate molecular spectral analyses, cluster analysis, and principal component analysis of original spectra (without spectral parameterization) are unable to fully distinguish the structural differences in the antisymmetric and symmetric CH3 and CH2 spectral region (ca. 3001-2799 cm(-1)) and carbonyl C=O ester band region (ca. 1771-1714 cm(-1)). This result indicated that the sensitivity to detect treatment difference by multivariate analysis of cluster analysis (CLA) and principal components analysis (PCA) might be lower compared with univariate molecular spectral analysis. In the future, other more sensitive techniques such as "discriminant analysis" could be considered for discriminating and classifying structural differences. Molecular spectroscopy can be used as non-invasive technique to study processing-induced structural changes that are related to lipid compound in legume seeds.
authors.affiliation: College of Agriculture and Bioresources, The University of Saskatchewan, 51 Campus Drive, Saskatoon, SK, S7N 5A8, Canada.
authors.forename: Gloria Qingyu
authors.initials: GQ
authors.lastname: Yu
authors.forename: Peiqiang
authors.initials: P
authors.lastname: Yu
mesh_terms: D001704:Biopolymers / Q000032:analysis / Q000737:chemistry*; D020650:Combinatorial Chemistry Techniques / Q000379:methods*; D007887:Fabaceae / Q000737:chemistry*; D008055:Lipids / Q000032:analysis / Q000737:chemistry*; D008968:Molecular Conformation; D019906:Nuclear Magnetic Resonance, Biomolecular / Q000379:methods*; D015203:Reproducibility of Results; D012680:Sensitivity and Specificity; D013329:Structure-Activity Relationship; D014732:Vibration
chemical_list: D001704:Biopolymers; D008055:Lipids