scholarly journals Application of UPLC-QTOF-MS Based Untargeted Metabolomics in Identification of Metabolites Induced in Pathogen-Infected Rice

Plants ◽  
2021 ◽  
Vol 10 (2) ◽  
pp. 213
Author(s):  
Mira Oh ◽  
SeonJu Park ◽  
Hun Kim ◽  
Gyung Ja Choi ◽  
Seung Hyun Kim
Keyword(s):  
Mass Spectrometry ◽  
Plant Defense ◽  
Metabolic Pathways ◽  
High Resolution Mass Spectrometry ◽  
High Sensitivity ◽  
Untargeted Metabolomics ◽  
Mass Spectral Database ◽  
Mass Spectral ◽  
Flight Mass Spectrometry

Metabolomics is a useful tool for comparing metabolite changes in plants. Because of its high sensitivity, metabolomics combined with high-resolution mass spectrometry (HR-MS) is the most widely accepted metabolomics tools. In this study, we compared the metabolites of pathogen-infected rice (Oryza sativa) with control rice using an untargeted metabolomics approach. We profiled the mass features of two rice groups using a liquid chromatography quadrupole time-of-flight mass spectrometry (QTOF-MS) system. Twelve of the most differentially induced metabolites in infected rice were selected through multivariate data analysis and identified through a mass spectral database search. The role of these compounds in metabolic pathways was finally investigated using pathway analysis. Our study showed that the most frequently induced secondary metabolites are prostanoids, a subclass of eicosanoids, which are associated with plant defense metabolism against pathogen infection. Herein, we propose a new untargeted metabolomics approach for understanding plant defense system at the metabolic level.

scholarly journals Determination of Ketosteroids in Human Urine Using Dispersive Liquid-Liquid Microextraction and Ultra High-Performance Liquid Chromatography-High Resolution Mass Spectrometry

2021 ◽  
Vol 76 (11) ◽  
pp. 1305-1311
Author(s):  
E. V. Dmitrieva ◽  
A. Z. Temerdashev ◽  
A. K. Osipova
Keyword(s):  
Mass Spectrometry ◽  
Human Urine ◽  
High Performance ◽  
High Resolution Mass Spectrometry ◽  
High Sensitivity ◽  
Reversed Phase ◽  
Flight Mass Spectrometry ◽  
Dispersive Liquid Liquid Microextraction ◽  
Liquid Microextraction

Abstract A method is proposed for the determination of some ketosteroids in human urine, including enzymatic hydrolysis using β-glucuronidase from E. coli followed by dispersive liquid-liquid microextraction, derivatization of analytes with hydroxylamine, and detection by reversed-phase ultra-HPLC–quadrupole time-of-flight mass spectrometry. Optimization of extraction and derivatization conditions of the studied compounds made it possible to find that the highest recoveries were achieved using an acetone–chloroform mixture as a dispersant and an extractant, and the completeness of the derivatization reaction was achieved by thermostating the sample at 70°C for 90 min. The proposed method has high sensitivity (limits of detection in the range of 0.1–0.25 ng/mL) and a wide linearity range.

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 Ultra-High Performance Liquid Chromatography-High Resolution Mass Spectrometry and High-Sensitivity Gas Chromatography-Mass Spectrometry Screening of Classic Drugs and New Psychoactive Substances and Metabolites in Urine of Consumers

2021 ◽  
Vol 22 (8) ◽  
pp. 4000
Author(s):  
Emilia Marchei ◽  
Maria Alias Ferri ◽  
Marta Torrens ◽  
Magí Farré ◽  
Roberta Pacifici ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Gas Chromatography ◽  
Mobile Phase ◽  
High Performance ◽  
High Resolution Mass Spectrometry ◽  
High Sensitivity ◽  
Gas Chromatography Mass Spectrometry ◽  
New Psychoactive Substances ◽  
Psychoactive Substances ◽  
Resolution Mass

The use of the new psychoactive substances is continuously growing and the implementation of accurate and sensible analysis in biological matrices of users is relevant and fundamental for clinical and forensic purposes. Two different analytical technologies, high-sensitivity gas chromatography-mass spectrometry (GC-MS) and ultra-high-performance liquid chromatography-high-resolution mass spectrometry (UHPLC-HRMS) were used for a screening analysis of classic drugs and new psychoactive substances and their metabolites in urine of formed heroin addicts under methadone maintenance therapy. Sample preparation involved a liquid-liquid extraction. The UHPLC-HRMS method included Accucore™ phenyl Hexyl (100 × 2.1 mm, 2.6 μm, Thermo, USA) column with a gradient mobile phase consisting of mobile phase A (ammonium formate 2 mM in water, 0.1% formic acid) and mobile phase B (ammonium formate 2 mM in methanol/acetonitrile 50:50 (v/v), 0.1% formic acid) and a full-scan data-dependent MS2 (ddMS2) mode for substances identification (mass range 100–1000 m/z). The GC-MS method employed an ultra-Inert Intuvo GC column (HP-5MS UI, 30 m, 250 µm i.d, film thickness 0.25 µm; Agilent Technologies, Santa Clara, CA, USA) and electron-impact (EI) mass spectra were recorded in total ion monitoring mode (scan range 40–550 m/z). Urine samples from 296 patients with a history of opioid use disorder were examined. Around 80 different psychoactive substances and/or metabolites were identified, being methadone and metabolites the most prevalent ones. The possibility to screen for a huge number of psychotropic substances can be useful in suspected drug related fatalities or acute intoxication/exposure occurring in emergency departments and drug addiction services.

scholarly journals Placental 13C-DHA metabolism and relationship with maternal BMI, glycemia and birthweight

2021 ◽  
Vol 27 (1) ◽  
Author(s):  
Oliver C. Watkins ◽  
Preben Selvam ◽  
Reshma Appukuttan Pillai ◽  
Victoria K. B. Cracknell-Hazra ◽  
Hannah E. J. Yong ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Liquid Chromatography ◽  
Lipid Metabolism ◽  
Metabolic Pathways ◽  
Liquid Chromatography Mass Spectrometry ◽  
Fasting Glycemia ◽  
Glucose Treatment ◽  
Maternal Bmi

Abstract Background Fetal docosahexaenoic acid (DHA) supply relies on preferential transplacental transfer, which is regulated by placental DHA lipid metabolism. Maternal hyperglycemia and obesity associate with higher birthweight and fetal DHA insufficiency but the role of placental DHA metabolism is unclear. Methods Explants from 17 term placenta were incubated with 13C-labeled DHA for 48 h, at 5 or 10 mmol/L glucose treatment, and the production of 17 individual newly synthesized 13C-DHA labeled lipids quantified by liquid chromatography mass spectrometry. Results Maternal BMI positively associated with 13C-DHA-labeled diacylglycerols, triacylglycerols, lysophospholipids, phosphatidylcholine and phosphatidylethanolamine plasmalogens, while maternal fasting glycemia positively associated with five 13C-DHA triacylglycerols. In turn, 13C-DHA-labeled phospholipids and triacylglycerols positively associated with birthweight centile. In-vitro glucose treatment increased most 13C-DHA-lipids, but decreased 13C-DHA phosphatidylethanolamine plasmalogens. However, with increasing maternal BMI, the magnitude of the glucose treatment induced increase in 13C-DHA phosphatidylcholine and 13C-DHA lysophospholipids was curtailed, with further decline in 13C-DHA phosphatidylethanolamine plasmalogens. Conversely, with increasing birthweight centile glucose treatment induced increases in 13C-DHA triacylglycerols were exaggerated, while glucose treatment induced decreases in 13C-DHA phosphatidylethanolamine plasmalogens were diminished. Conclusions Maternal BMI and glycemia increased the production of different placental DHA lipids implying impact on different metabolic pathways. Glucose-induced elevation in placental DHA metabolism is moderated with higher maternal BMI. In turn, findings of associations between many DHA lipids with birthweight suggest that BMI and glycemia promote fetal growth partly through changes in placental DHA metabolism.

scholarly journals Investigation of Biotransformation Products of p-Methoxymethylamphetamine and Dihydromephedrone in Wastewater by High-Resolution Mass Spectrometry

Metabolites ◽  
2021 ◽  
Vol 11 (2) ◽  
pp. 66
Author(s):  
Juliet Kinyua ◽  
Aikaterini K. Psoma ◽  
Nikolaos I. Rousis ◽  
Maria-Christina Nika ◽  
Adrian Covaci ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Wastewater Treatment Plants ◽  
High Resolution Mass Spectrometry ◽  
Transformation Products ◽  
New Psychoactive Substances ◽  
Batch Reactors ◽  
Flight Mass Spectrometry ◽  
Detection And Identification ◽  
Wastewater Samples ◽  
Set Up

There is a paucity of information on biotransformation and stability of new psychoactive substances (NPS) in wastewater. Moreover, the fate of NPS and their transformation products (TPs) in wastewater treatment plants is not well understood. In this study, batch reactors seeded with activated sludge were set up to evaluate biotic, abiotic, and sorption losses of p-methoxymethylamphetamine (PMMA) and dihydromephedrone (DHM) and identify TPs formed during these processes. Detection and identification of all compounds was performed with target and suspect screening approaches using liquid chromatography quadrupole-time-of-flight mass spectrometry. Influent and effluent 24 h composite wastewater samples were collected from Athens from 2014 to 2020. High elimination rates were found for PMMA (80%) and DHM (97%) after a seven-day experiment and degradation appeared to be related to biological activity in the active bioreactor. Ten TPs were identified and the main reactions were O- and N-demethylation, oxidation, and hydroxylation. Some TPs were reported for the first time and some were confirmed by reference standards. Identification of some TPs was enhanced by the use of an in-house retention time prediction model. Mephedrone and some of its previously reported human metabolites were formed from DHM incubation. Retrospective analysis showed that PMMA was the most frequently detected compound.

Derivatization in Mass Spectrometry—1. Silylation

2003 ◽  
Vol 9 (1) ◽  
pp. 1-21 ◽  
Author(s):  
John M. Halket ◽  
Vladimir G. Zaikin
Keyword(s):  
Mass Spectrometry ◽  
Structure Determination ◽  
Spectral Properties ◽  
Mass Spectra ◽  
Biologically Active ◽  
Chromatographic Mobility ◽  
Mass Spectral ◽  
Silyl Derivatives ◽  
Catalytic Stability

This is the first of a series of reviews on the application of derivatization in mass spectrometry. A description is given of advances in silylation as a powerful tool used for increasing the volatility, thermal and thermo-catalytic stability, and chromatographic mobility of polar and unstable organic compounds. In addition to chemical aspects of silylation, mass spectral properties of silyl derivatives useful for structure determination and quantitation of various organic and biologically-active compounds, mainly by GC/MS, are described. Practically all tested and widely used silylating agents are described. The role of comprehensive libraries containing reference mass spectra for various silyl derivatives and search systems in structure determination is emphasized. Applications of silylation for particular analyses are summarised.

scholarly journals Mass Spectrometry-Based Characterization of New Spirolides from Alexandrium ostenfeldii (Dinophyceae)

Marine Drugs ◽  
2020 ◽  
Vol 18 (10) ◽  
pp. 505
Author(s):  
Joyce A. Nieva ◽  
Jan Tebben ◽  
Urban Tillmann ◽  
Sylke Wohlrab ◽  
Bernd Krock
Keyword(s):  
Mass Spectrometry ◽  
High Resolution Mass Spectrometry ◽  
Molecular Ions ◽  
Ring System ◽  
The Other ◽  
Spectral Techniques ◽  
Mass Spectral ◽  
Alexandrium Ostenfeldii ◽  
Different Strains

Spirolides belong to a group of marine phycotoxins produced by the marine planktonic dinophyte Alexandrium ostenfeldii. Composed of an imine moiety and a spiroketal ring system within a macrocylcle, spirolides are highly diverse with toxin types that vary among different strains. This study aims to characterize the spirolides from clonal A. ostenfeldii strains collected from The Netherlands, Greenland and Norway by mass spectral techniques. The structural characterization of unknown spirolides as inferred from high-resolution mass spectrometry (HR-MS) and collision induced dissociation (CID) spectra revealed the presence of nine novel spirolides that have the pseudo-molecular ions m/z 670 (1), m/z 666 (2), m/z 696 (3), m/z 678 (4), m/z 694 (5), m/z 708 (6), m/z 720 (7), m/z 722 (8) and m/z 738 (9). Of the nine new spirolides proposed in this study, compound 1 was suggested to have a truncated side chain in lieu of the commonly observed butenolide ring in spirolides. Moreover, there is indication that compound 5 might belong to new spirolide subclasses with a trispiroketal ring configuration having a 6:5:6 trispiroketal ring system. On the other hand, the other compounds were proposed as C- and G-type SPX, respectively. Compound 7 is proposed as the first G-type SPX with a 10-hydroxylation as usually observed in C-type SPX. This mass spectrometry-based study thus demonstrates that structural variability of spirolides is larger than previously known and does not only include the presence or absence of certain functional groups but also involves the triketal ring system.

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