Application of nontargeted metabolite profiling to discover novel markers of quality traits in an advanced population of malting barley

Abstract

SummaryThe process of breeding superior varieties for the agricultural industry is lengthy and expensive. Plant metabolites may act as markers of quality traits, potentially expediting the appraisal of experimental lines during breeding. Here, we evaluated the utility of metabolites as markers by assessing metabolic variation influenced by genetic and environmental factors in an advanced breeding setting and in relation to the phenotypic distribution of 20 quality traits. Nontargeted liquid chromatography-mass spectrometry metabolite profiling was performed on barley (Hordeum vulgare L.) grain and malt from 72 advanced malting barley lines grown at two distinct but climatically similar locations, with 2-row and 6-row barley as the main genetic factors. 27 420 molecular features were detected, and the metabolite and quality trait profiles were similarly influenced by genotype and environment; however, malt was more influenced by genotype compared with barley. An O2PLS model characterized molecular features and quality traits that covaried, and 1319 features associated with at least one of 20 quality traits. An indiscriminant MS/MS acquisition and novel data analysis method facilitated the identification of metabolites. The analysis described 216 primary and secondary metabolites that correlated with multiple quality traits and included amines, amino acids, alkaloids, polyphenolics and lipids. The mechanisms governing quality trait-metabolite associations were interpreted based on colocalization to genetic markers and their gene annotations. The results of this study support the hypothesis that metabolism and quality traits are co-influenced by relatively narrow genetic and environmental factors and illustrate the utility of grain metabolites as functional markers of quality traits.

Common bean varieties demonstrate differential physiological and metabolic responses to the pathogenic fungusSclerotinia sclerotiorum

“…Extracts were analysed by ultraperformance liquid chromatography–mass spectrometry (UPLC‐MS) or gas chromatography–mass spectrometry (GC‐MS). For UPLC‐MS, 1 μl of extract was analysed using settings as previously described (Heuberger, Broeckling, et al, ). For GC‐MS, 350 μl of extract was dried via speedvac, and metabolites were derivatized and detected as previously described (Abdel‐Ghany, Day, Heuberger, Broeckling, & Reddy, ).…”

“…Metabolomics is the global analysis of small molecules in biological systems. In plants, metabolomics has been used to characterize the influence of genetics, environment, and other factors on the chemical profiles of many tissues (Heuberger et al, ; Heuberger, Broeckling, et al, ; Turner et al, ), including metabolites related to disease resistance (for reviews, see Balmer, Flors, Glauser, & Mauch‐Mani, ; Heuberger, Robison, et al, ; Tan, Ipcho, Trengove, Oliver, & Solomon, ). In a metabolomics experiment, a metabolite profile is determined by extracting chemical compounds from plant tissue with subsequent detection and quantitation using analytical chemistry and chemoinformatics.…”

Study of the role of sugar fatty esters in explaining differences in the malt composition of barley analysed using vibrational spectroscopy and chemometrics

“…[20][21][22][23][24] Biochemical components of grain other than starch such as proteins, non-structural, structural polysaccharides and lipids inuence or modulate the quality of the grain and consequently its malting properties. 25 This nding highlights the importance of the interactions between sugars, lipids and malt extract. 20,24 New technologies or methods that measure new aspects of malt quality not considered or understood in the past will allow a better understanding of the main drivers of composition, to better facilitate product development and to improve efficiencies in the brewing process as well as to develop or improve barley varieties.…”

“…19 Malt quality is an economically important characteristic of barley and research in barley breeding, biochemistry and genetics has led to improvements in the understanding of some of the characteristics that determine the properties of the barley grain and corresponding malt. 25 These authors stated that this glycerol-phospholipid (glycerol-betaine) (localized in the short arm of the chromosome 7H of barley) is also in a region adjacent to the sucrose synthase locus correlated with malt extract. 4,20-24 As stated by other authors, malt quality evaluation is approaching a new age beyond the basic quality analyses currently in use.…”

Food metabolomics: from farm to human

“…Metabolomics has already been applied to evaluate and assess GM food resources such as soybean [35], rice [36], maize [37,38], wheat [39], tomato [40], poplar [41] and barley [42]. As the production of GM food resources is expected to increase, the importance and application of metabolomics in this area will increase as well.…”