title: Ultrahigh-Performance Liquid Chromatography-High-Resolution Quadrupole Time-of-Flight Mass Spectrometry Based Metabolomics Reveals Key Differences between Brachiaria decumbens and B. brizantha, Two Similar Pastures with Different Toxicities.
abstract: Several species of Brachiaria (Poaceae) currently cover extensive grazing areas in Brazil, providing valuable source of feed for a large cattle population. However, numerous cases of toxicity outbreaks in livestock have raised concerns on safety of using these plants, especially B. decumbens. In this study, chemometric analysis of ultrahigh-performance liquid chromatography-high-resolution quadrupole time-of-flight mass spectrometry (UHPLC-HR-QTOF-MS) data has for the first time uncovered qualitative and quantitative differences between metabolomes of toxic B. decumbens and nontoxic B. brizantha. The steroidal saponin protoneodioscin was established as the main biomarker for B. decumbens when compared to B. brizantha, and therefore the key explanation for their phytochemical differentiation. Quantification of protodioscin in both plants showed no significant differences; consequently, the idea that this compound is solely responsible for toxicity outbreaks must be discarded. Instead, we propose that the added occurrence of its stereoisomer, protoneodioscin, in B. decumbens, can be considered as the probable cause of these events. Interestingly, the greatest concentrations of saponins for both species were reached during winter (B. decumbens = 53.6 ± 5.1 mg·g(-1) dry weight (D.W.); B. brizantha = 25.0 ± 1.9 mg·g(-1) D.W.) and spring (B. decumbens = 49.4 ± 5.0 mg·g(-1) D.W.; B. brizantha = 27.9 ± 1.4 mg·g(-1) D.W.), although in the case of B. decumbens these values do not vary significantly among seasons.
authors.affiliation: Department of Biochemistry and Crop Quality, Institute of Soil Science and Plant Cultivation, State Research Institute , ul. Czartoryskich 8, 24-100, Puławy, Poland.
authors.forename: Andy J
authors.initials: AJ
authors.lastname: Pérez
authors.affiliation: Department of Plant Sciences, College of Animal Sciences and Food Engineering, University of São Paulo , Pirassununga, São Paulo 13635-900, Brazil.
authors.forename: Syeda M
authors.initials: SM
authors.lastname: Hussain
authors.affiliation: Department of Biochemistry and Crop Quality, Institute of Soil Science and Plant Cultivation, State Research Institute , ul. Czartoryskich 8, 24-100, Puławy, Poland.
authors.forename: Łukasz
authors.initials: Ł
authors.lastname: Pecio
authors.affiliation: Department of Biochemistry and Crop Quality, Institute of Soil Science and Plant Cultivation, State Research Institute , ul. Czartoryskich 8, 24-100, Puławy, Poland.
authors.forename: Mariusz
authors.initials: M
authors.lastname: Kowalczyk
authors.affiliation: Department of Plant Sciences, College of Animal Sciences and Food Engineering, University of São Paulo , Pirassununga, São Paulo 13635-900, Brazil.
authors.forename: Valdo R
authors.initials: VR
authors.lastname: Herling
authors.affiliation: Department of Biochemistry and Crop Quality, Institute of Soil Science and Plant Cultivation, State Research Institute , ul. Czartoryskich 8, 24-100, Puławy, Poland.
authors.forename: Anna
authors.initials: A
authors.lastname: Stochmal
mesh_terms: D000821:Animal Feed / Q000032:analysis; D000818:Animals; D035201:Brachiaria / Q000737:chemistry* / Q000145:classification / Q000378:metabolism / Q000633:toxicity; D001938:Brazil; D002417:Cattle; D002851:Chromatography, High Pressure Liquid / Q000379:methods*; D004144:Diosgenin / Q000031:analogs & derivatives* / Q000032:analysis / Q000378:metabolism / Q000633:toxicity; D013058:Mass Spectrometry / Q000379:methods*; D055432:Metabolomics / Q000379:methods*; D012503:Saponins / Q000032:analysis* / Q000378:metabolism / Q000633:toxicity; D012621:Seasons; D013261:Sterols / Q000032:analysis* / Q000378:metabolism / Q000633:toxicity
chemical_list: D012503:Saponins; D013261:Sterols; C472111:protoneodioscin; C459619:protodioscin; D004144:Diosgenin
keywords: Brachiaria brizantha; Brachiaria decumbens; UHPLC−MS metabolomics; multivariate data analysis; saponin quantification