Liquid Chromatography and Liquid Chromatography–Mass Spectrometry of Plants: Techniques and Applications

Doell, Stefanie; Arens, Nadja; Mock, Hans‐Peter

doi:10.1002/9780470027318.a9912.pub2

Cited by 2 publications

(1 citation statement)

References 75 publications

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“…High-throughput techniques like GC/MS or LC/MS offer unique possibilities but were rarely applied to bryophytes with regard to chemosystematics [29]. Liquid chromatography coupled to mass-spectrometry and data-dependent acquisition (DDA-MS) is a relatively fast and inexpensive analytical method that subjects the most abundant MS1 peaks to a second stage of MS2 fragmentation in a defined series of scans before the cycle starts again [30]. The method potentially allows the elucidation of the most abundant natural products in biological species and is a useful analytical tool to assess the chemodiversity between samples of different biological species [31].…”

Section: Introductionmentioning

confidence: 99%

Chemical Diversity and Classification of Secondary Metabolites in Nine Bryophyte Species

et al. 2019

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The central aim in ecometabolomics and chemical ecology is to pinpoint chemical features that explain molecular functioning. The greatest challenge is the identification of compounds due to the lack of constitutive reference spectra, the large number of completely unknown compounds, and bioinformatic methods to analyze the big data. In this study we present an interdisciplinary methodological framework that extends ultra-performance liquid chromatography coupled to electrospray ionization quadrupole time-of-flight mass spectrometry (UPLC/ESI-QTOF-MS) with data-dependent acquisition (DDA-MS) and the automated in silico classification of fragment peaks into compound classes. We synthesize findings from a prior study that explored the influence of seasonal variations on the chemodiversity of secondary metabolites in nine bryophyte species. Here we reuse and extend the representative dataset with DDA-MS data. Hierarchical clustering, heatmaps, dbRDA, and ANOVA with post-hoc Tukey HSD were used to determine relationships of the study factors species, seasons, and ecological characteristics. The tested bryophytes showed species-specific metabolic responses to seasonal variations (50% vs. 5% of explained variation). Marchantia polymorpha, Plagiomnium undulatum, and Polytrichum strictum were biochemically most diverse and unique. Flavonoids and sesquiterpenoids were upregulated in all bryophytes in the growing seasons. We identified ecological functioning of compound classes indicating light protection (flavonoids), biotic and pathogen interactions (sesquiterpenoids, flavonoids), low temperature and desiccation tolerance (glycosides, sesquiterpenoids, anthocyanins, lactones), and moss growth supporting anatomic structures (few methoxyphenols and cinnamic acids as part of proto-lignin constituents). The reusable bioinformatic framework of this study can differentiate species based on automated compound classification. Our study allows detailed insights into the ecological roles of biochemical constituents of bryophytes with regard to seasonal variations. We demonstrate that compound classification can be improved with adding constitutive reference spectra to existing spectral libraries. We also show that generalization on compound classes improves our understanding of molecular ecological functioning and can be used to generate new research hypotheses.

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Section: Introductionmentioning

confidence: 99%

Chemical Diversity and Classification of Secondary Metabolites in Nine Bryophyte Species

et al. 2019

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Untargeted metabotyping to study phenylpropanoid diversity in crop plants

Garibay-Hernández

Kessler

Józefowicz

et al. 2021

Physiologia Plantarum

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Plant genebanks constitute a key resource for breeding to ensure crop yield under changing environmental conditions. Because of their roles in a range of stress responses, phenylpropanoids are promising targets. Phenylpropanoids comprise a wide array of metabolites; however, studies regarding their diversity and the underlying genes are still limited for cereals. The assessment of barley diversity via genotyping-by-sequencing is in rapid progress. Exploring these resources by integrating genetic association studies to in-depth metabolomic profiling provides a valuable opportunity to study barley phenylpropanoid metabolism; but poses a challenge by demanding large-scale approaches. Here, we report an LC-PDA-MS workflow for barley high-throughput metabotyping. Without prior construction of a speciesspecific library, this method produced phenylpropanoid-enriched metabotypes with which the abundance of putative metabolic features was assessed across hundreds of samples in a single-processed data matrix. The robustness of the analytical performance was tested using a standard mix and extracts from two selected cultivars: Scarlett and Barke. The large-scale analysis of barley extracts showed (1) that barley flag leaf profiles were dominated by glycosylation derivatives of isovitexin, isoorientin, and isoscoparin; (2) proved the workflow's capability to discriminate within genotypes; (3) highlighted the role of glycosylation in barley phenylpropanoid diversity. Using the barley S42IL mapping population, the workflow proved useful for metabolic quantitative trait loci purposes. The protocol can be readily applied not only to explore the barley phenylpropanoid diversity represented in genebanks but also to study species whose profiles differ from those of cereals: the crop Helianthus annuus (sunflower) and the model plant Arabidopsis thaliana.

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Liquid Chromatography and Liquid Chromatography–Mass Spectrometry of Plants: Techniques and Applications

Cited by 2 publications

References 75 publications

Chemical Diversity and Classification of Secondary Metabolites in Nine Bryophyte Species

Chemical Diversity and Classification of Secondary Metabolites in Nine Bryophyte Species

Untargeted metabotyping to study phenylpropanoid diversity in crop plants

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