title: Mid-infrared spectral characteristics of lipid molecular structures in Brassica carinata seeds: relationship to oil content, fatty acid and glucosinolate profiles, polyphenols, and condensed tannins.
abstract: The objectives of this study were to quantify lipid-related inherent molecular structures using a Fourier transform infrared spectroscopy (FT-IR) technique and determine their relationship to oil content, fatty acid and glucosinolate profile, total polyphenols, and condensed tannins in seeds from newly developed yellow-seeded and brown-seeded Brassica carinata lines. Canola seeds were used as a reference. The lipid-related molecular spectral band intensities were strongly correlated to the contents of oil, fatty acids, glucosinolates, and polyphenols. The regression equations gave relatively high predictive power for the estimation of oil (R² = 0.99); all measured fatty acids (R² > 0.80), except C14:0, C20:3n-3, C22:2n-9, and C22:2n-6; 3-butenyl, 2-OH-3-butenyl, 4-OH-3-CH3-indolyl, and total glucosinolates (R² > 0.686); and total polyphenols (R² = 0.935). However, further study is required to obtain predictive equations based on large numbers of samples from diverse sources to illustrate the general applicability of these regression equations.
authors.affiliation: Department of Animal and Poultry Science, College of Agricultural and Bioresources, University of Saskatchewan , 51 Campus Drive, Saskatoon, Saskatchewan S7N 5A8, Canada.
authors.forename: Hangshu
authors.initials: H
authors.lastname: Xin
authors.forename: Nazir A
authors.initials: NA
authors.lastname: Khan
authors.forename: Kevin C
authors.initials: KC
authors.lastname: Falk
authors.forename: Peiqiang
authors.initials: P
authors.lastname: Yu
mesh_terms: D001937:Brassica / Q000737:chemistry* / Q000378:metabolism; D001947:Breeding; D002677:Chile; D016000:Cluster Analysis; D018556:Crops, Agricultural / Q000737:chemistry* / Q000378:metabolism; D004041:Dietary Fats / Q000032:analysis*; D016002:Discriminant Analysis; D005227:Fatty Acids / Q000032:analysis / Q000737:chemistry; D005961:Glucosinolates / Q000032:analysis / Q000737:chemistry; D007536:Isomerism; D015394:Molecular Structure; D010860:Pigments, Biological / Q000378:metabolism; D010938:Plant Oils / Q000032:analysis / Q000737:chemistry*; D059808:Polyphenols / Q000032:analysis / Q000737:chemistry; D025341:Principal Component Analysis; D044945:Proanthocyanidins / Q000032:analysis / Q000737:chemistry; D012639:Seeds / Q000737:chemistry* / Q000378:metabolism; D013045:Species Specificity; D017550:Spectroscopy, Fourier Transform Infrared; D014280:Triglycerides / Q000737:chemistry / Q000378:metabolism
chemical_list: D004041:Dietary Fats; D005227:Fatty Acids; D005961:Glucosinolates; D010860:Pigments, Biological; D010938:Plant Oils; D059808:Polyphenols; D044945:Proanthocyanidins; D014280:Triglycerides