scholarly journals Interlaboratory Coverage Test on Plant Food Bioactive Compounds and their Metabolites by Mass Spectrometry-Based Untargeted Metabolomics

Metabolites ◽  
2018 ◽  
Vol 8 (3) ◽  
pp. 46 ◽  
Author(s):  
Ville Mikael Koistinen ◽  
Andreia Bento da Silva ◽  
László Abrankó ◽  
Dorrain Low ◽  
Rocio Garcia Villalba ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Bioactive Compounds ◽  
High Resolution Mass Spectrometry ◽  
Chemical Space ◽  
Untargeted Metabolomics ◽  
Consensus Method ◽  
Health State ◽  
Plant Food ◽  
Chemical Structures ◽  
Successful Analysis

Bioactive compounds present in plant-based foods, and their metabolites derived from gut microbiota and endogenous metabolism, represent thousands of chemical structures of potential interest for human nutrition and health. State-of-the-art analytical methodologies, including untargeted metabolomics based on high-resolution mass spectrometry, are required for the profiling of these compounds in complex matrices, including plant food materials and biofluids. The aim of this project was to compare the analytical coverage of untargeted metabolomics methods independently developed and employed in various European platforms. In total, 56 chemical standards representing the most common classes of bioactive compounds spread over a wide chemical space were selected and analyzed by the participating platforms (n = 13) using their preferred untargeted method. The results were used to define analytical criteria for a successful analysis of plant food bioactives. Furthermore, they will serve as a basis for an optimized consensus method.

Chromatography hyphenated to high resolution mass spectrometry in untargeted metabolomics for investigation of food (bio)markers

2021 ◽  
Vol 135 ◽  
pp. 116161
Author(s):  
Leticia Lacalle-Bergeron ◽  
David Izquierdo-Sandoval ◽  
Juan V. Sancho ◽  
Francisco J. López ◽  
Félix Hernández ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
High Resolution ◽  
High Resolution Mass Spectrometry ◽  
Untargeted Metabolomics ◽  
High Resolution Mass ◽  
Resolution Mass

scholarly journals Isolation and Purification of Bioactive Compounds from the Stem Bark of Jatropha podagrica

Molecules ◽  
2019 ◽  
Vol 24 (5) ◽  
pp. 889 ◽  
Author(s):  
Truong Minh ◽  
Tran Xuan ◽  
Hoang-Dung Tran ◽  
Truong Van ◽  
Yusuf Andriana ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Ethyl Acetate ◽  
Gallic Acid ◽  
Bioactive Compounds ◽  
Stem Bark ◽  
Ionization Mass ◽  
Methyl Gallate ◽  
Antioxidant Power ◽  
Isolation And Purification ◽  
Chemical Structures

This paper reports the successive isolation and purification of bioactive compounds from the stem bark of Jatropha podagrica, a widely known medicinal plant. The ethyl acetate extract of the stem bark exhibited the strongest antioxidant activity assessed by 2,2-diphenyl-1-picrylhydrazyl (DPPH), 2,2′-azinobis-(3-ethylbenzothiazoline-6-sulfonic acid) (ABTS) radical scavenging, and ferric reducing antioxidant power (FRAP) assays (IC50 = 46.7, 66.0, and 492.6, respectively). By column chromatography (CC) with elution of hexane and ethyl acetate at 8:2, 7:3, and 6:4 ratios, the isolation of this active extract yielded five fractions (C1–C5). Chemical structures of the constituents included in C1–C5 were elucidated by gas chromatography-mass spectrometry (GC-MS), electrospray ionization-mass spectrometry (ESI-MS), and nuclear magnetic resonance (NMR) and resolved as methyl gallate (C1, C2, C3, C4), gallic acid (C1, C2), fraxetin (C2, C3, C4, C5), and tomentin (C3). Mixture C2 (IC50 DPPH and ABTS = 2.5 µg/mL) and C3 (IC50 FRAP = 381 µg/mL) showed the highest antioxidant properties. Among the isolated fractions, C4 was the most potential agent in growth inhibition of six bacterial strains including Staphylococcus aureus, Escherichia coli, Klebsiella pneumoniae, Listeria monocytogenes, Bacillus subtilis, and Proteus mirabilis (MIC = 5, 20, 30, 20, 25, and 20 mg/mL, respectively). All identified constituents exerted an inhibitory activity on the growth of Lactuca sativa, of which the mixture C3 performed the maximal inhibition on shoot (IC50 = 49.4 µg/mL) and root (IC50 = 47.1 µg/mL) growth. Findings of this study suggest that gallic acid, methyl gallate, fraxetin, and tomentin isolated from J. podagrica possessed antioxidant, antibacterial, and growth inhibitory potentials.

scholarly journals Linking biogenic hydrocarbons to biogenic aerosol in the Borneo rainforest

2013 ◽  
Vol 13 (7) ◽  
pp. 18113-18141
Author(s):  
J. F. Hamilton ◽  
M. R. Alfarra ◽  
N. Robinson ◽  
M. W. Ward ◽  
A. C. Lewis ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
High Resolution ◽  
Tropical Rainforest ◽  
Ion Trap ◽  
High Resolution Mass Spectrometry ◽  
Organic Aerosol ◽  
Oxidation Products ◽  
Ion Cyclotron Resonance ◽  
Aerosol Formation ◽  
Chemical Structures

Abstract. Emissions of biogenic volatile organic compounds are though to contribute significantly to secondary organic aerosol formation in the tropics, but understanding the process of these transformations has proved difficult, due to the complexity of the chemistry involved and very low concentrations. Aerosols from above a South East Asian tropical rainforest in Borneo were characterised using liquid chromatography-ion trap mass spectrometry, high resolution aerosol mass spectrometry and fourier transform ion cyclotron resonance mass spectrometry (FTICRMS) techniques. Oxygenated compounds were identified in ambient organic aerosol that could be directly traced back to isoprene, monoterpenes and sesquiterpene emissions, by combining field data on chemical structures with mass spectral data generated from synthetically produced products created in a simulation chamber. Eighteen oxygenated species of biogenic origin were identified in the rainforest aerosol from the precursors isoprene, α-pinene, limonene, α-terpinene and β-caryophyllene. The observations provide the unambiguous field detection of monoterpene and sesquiterpene oxidation products in SOA above a pristine tropical rainforest. The presence of 2-methyltetrol organosulfates and an associated sulfated dimer provides direct evidence that isoprene in the presence of sulfate aerosol can make a contribution to biogenic organic aerosol above tropical forests. High-resolution mass spectrometry indicates that sulfur can also be incorporated into oxidation products arising from monoterpene precursors in tropical aerosol.

scholarly journals Comparison of a GC-Orbitrap-MS with Parallel GC-FID Capabilities for Metabolomics of Human Serum

2019 ◽  
Author(s):  
Biswapriya B. Misra ◽  
Ekong Bassey ◽  
Michael Olivier
Keyword(s):  
Mass Spectrometry ◽  
High Resolution ◽  
Human Serum ◽  
Ion Trap ◽  
High Resolution Mass Spectrometry ◽  
Chemical Space ◽  
Metabolite Identification ◽  
Gas Chromatography Mass Spectrometry ◽  
Good Correspondence ◽  
Orbitrap Ms

AbstractGas chromatography mass spectrometry (GC-MS) platforms for use in high throughput and discovery metabolomics have heavily relied on time of flight (ToF), and low resolution quadrupole and ion trap mass spectrometers and are typically run in electron ionization (EI) modes for matching spectral libraries. Traditionally, detectors such as flame ionization detection (FID), have also helped in identification and quantification of compounds in complex samples for diverse clinical applications, i.e., fatty acids. We probed if combination of FID in line with a high-resolution instrument like a GC-Orbitrap-MS may confer advantages over traditional mass spectrometry using EI.We used a commercially available human serum sample to enhance the chemical space of serum using an advanced high resolution mass spectrometry (HR-MS) platform (QExactive Orbitrap-MS) with an FID feature for confident metabolite identification to assess the suitability of the platform for routine clinical metabolomics research. Using the EI mode, we quantified 294 metabolites in human serum using GC-Orbitrap-MS. These metabolites belonged to 89 biological pathways in KEGG. Following a sample split, using an in-line FID analysis, 1117 peaks were quantified. Moreover, representative peaks from FID and their corresponding MS counterparts showed a good correspondence when compared for relative abundance.Our study highlights the benefits of the use of a higher mass accuracy instrument for untargeted GC-MS-based metabolomics not only with EI mode but also orthogonal detection method such as FID, for robust and orthogonal quantification, in future studies addressing complex biological samples in clinical set ups.

scholarly journals Linking biogenic hydrocarbons to biogenic aerosol in the Borneo rainforest

2013 ◽  
Vol 13 (22) ◽  
pp. 11295-11305 ◽  
Author(s):  
J. F. Hamilton ◽  
M. R. Alfarra ◽  
N. Robinson ◽  
M. W. Ward ◽  
A. C. Lewis ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
High Resolution ◽  
Tropical Rainforest ◽  
Ion Trap ◽  
High Resolution Mass Spectrometry ◽  
Organic Aerosol ◽  
Oxidation Products ◽  
Ion Cyclotron Resonance ◽  
Aerosol Formation ◽  
Chemical Structures

Abstract. Emissions of biogenic volatile organic compounds are though to contribute significantly to secondary organic aerosol formation in the tropics, but understanding these transformation processes has proved difficult, due to the complexity of the chemistry involved and very low concentrations. Aerosols from above a Southeast Asian tropical rainforest in Borneo were characterised using liquid chromatography–ion trap mass spectrometry, high-resolution aerosol mass spectrometry and Fourier transform ion cyclotron resonance mass spectrometry (FTICRMS) techniques. Oxygenated compounds were identified in ambient organic aerosol that could be directly traced back to isoprene, monoterpenes and sesquiterpene emissions, by combining field data on chemical structures with mass spectral data generated from synthetically produced products created in a simulation chamber. Eighteen oxygenated species of biogenic origin were identified in the rainforest aerosol from the precursors isoprene, α-pinene, limonene, α-terpinene and β-caryophyllene. The observations provide the unambiguous field detection of monoterpene and sesquiterpene oxidation products in SOA above a pristine tropical rainforest. The presence of 2-methyl tetrol organosulfates and an associated sulfated dimer provides direct evidence that isoprene in the presence of sulfate aerosol can make a contribution to biogenic organic aerosol above tropical forests. High-resolution mass spectrometry indicates that sulfur can also be incorporated into oxidation products arising from monoterpene precursors in tropical aerosol.

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