scholarly journals Metabolome of canine and human saliva: a non-targeted metabolomics study

Metabolomics ◽  
2020 ◽  
Vol 16 (9) ◽  
Author(s):  
Soile Turunen ◽  
Jenni Puurunen ◽  
Seppo Auriola ◽  
Arja M. Kullaa ◽  
Olli Kärkkäinen ◽  
...  
Keyword(s):  
High Performance ◽  
Molecular Mechanisms ◽  
Detailed Comparison ◽  
Metabolite Profile ◽  
Human Saliva ◽  
Canis Lupus Familiaris ◽  
Targeted Metabolomics ◽  
Flight Mass Spectrometry ◽  
Wide Range ◽  
Lipid Compounds

Abstract Introduction Saliva metabolites are suggested to reflect the health status of an individual in humans. The same could be true with the dog (Canis lupus familiaris), an important animal model of human disease, but its saliva metabolome is unknown. As a non-invasive sample, canine saliva could offer a new alternative material for research to reveal molecular mechanisms of different (patho)physiological stages, and for veterinary medicine to monitor dogs’ health trajectories. Objectives To investigate and characterize the metabolite composition of dog and human saliva in a non-targeted manner. Methods Stimulated saliva was collected from 13 privately-owned dogs and from 14 human individuals. We used a non-targeted ultra-high-performance liquid chromatography-quadrupole time-of-flight mass spectrometry (UHPLC-qTOF-MS) method to measure metabolite profiles from saliva samples. Results We identified and classified a total of 211 endogenous and exogenous salivary metabolites. The compounds included amino acids, amino acid derivatives, biogenic amines, nucleic acid subunits, lipids, organic acids, small peptides as well as other metabolites, like metabolic waste molecules and other chemicals. Our results reveal a distinct metabolite profile of dog and human saliva as 25 lipid compounds were identified only in canine saliva and eight dipeptides only in human saliva. In addition, we observed large variation in ion abundance within and between the identified saliva metabolites in dog and human. Conclusion The results suggest that non-targeted metabolomics approach utilizing UHPLC-qTOF-MS can detect a wide range of small compounds in dog and human saliva with partially overlapping metabolite composition. The identified metabolites indicate that canine saliva is potentially a versatile material for the discovery of biomarkers for dog welfare. However, this profile is not complete, and dog saliva needs to be investigated in the future with other analytical platforms to characterize the whole canine saliva metabolome. Furthermore, the detailed comparison of human and dog saliva composition needs to be conducted with harmonized study design.

scholarly journals Integrated Transcriptomic and Un-Targeted Metabolomics Analysis Reveals Mulberry Fruit (Morus atropurpurea) in Response to Sclerotiniose Pathogen Ciboria shiraiana Infection

2020 ◽  
Vol 21 (5) ◽  
pp. 1789 ◽  
Author(s):  
Lijun Bao ◽  
Hongpeng Gao ◽  
Zelin Zheng ◽  
Xiaoxiao Zhao ◽  
Minjuan Zhang ◽  
...  
Keyword(s):  
Molecular Mechanisms ◽  
Early Stage ◽  
Metabolite Profile ◽  
Northwest China ◽  
Targeted Metabolomics ◽  
Mulberry Fruit ◽  
Phenylpropanoid Biosynthesis ◽  
Mapman Analysis ◽  
Mulberry Fruits ◽  
Prevention Methods

Mulberry sclerotiniose caused by Ciboria shiraiana is a devastating disease of mulberry (Morus alba L.) fruit in Northwest China. At present, no disease-resistant varieties are used in production, as the molecular mechanisms of this disease are not well understood. In this study, to explore new prevention methods and provide direction for molecular breeding, transcriptomic sequencing and un-targeted metabolomics were performed on healthy (CK), early-stage diseased (HB1), and middle-stage diseased (HB2) mulberry fruits. Functional annotation, gene ontology, a Kyoto encyclopedia of genes and genomes (KEGG) analysis, and a Mapman analysis of the differentially expressed genes revealed differential regulation of genes related to plant hormone signal transduction, transcription factors, and phenylpropanoid biosynthesis. A correspondence between the transcript pattern and metabolite profile was observed in the phenylpropanoid biosynthesis pathway. It should be noted that the log2 ratio of eugenol (isoeugenol) in HB1 and HB2 are 85 times and 23 times higher than CK, respectively. Our study shows that phenylpropanoid biosynthesis may play an essential role in response to sclerotiniose pathogen infection and eugenol(isoeugenol) enrichment in mulberry fruit, which may provide a novel method for mulberry sclerotiniose control.

scholarly journals Acylated Flavonoid Glycosides are the Main Pigments that Determine the Flower Colour of the Brazilian Native Tree Tibouchina pulchra (Cham.) Cogn.

Molecules ◽  
2019 ◽  
Vol 24 (4) ◽  
pp. 718 ◽  
Author(s):  
Fernanda Rezende ◽  
Marcelo Ferreira ◽  
Mads Clausen ◽  
Magdalena Rossi ◽  
Claudia Furlan
Keyword(s):  
Liquid Chromatography ◽  
High Performance ◽  
Flower Colour ◽  
Metabolite Profile ◽  
Ultra Performance Liquid Chromatography ◽  
Flavonoid Glycosides ◽  
Array Detector ◽  
Flight Mass Spectrometry ◽  
Photodiode Array Detector ◽  
Photodiode Array

Tibouchina pulchra (Cham.) Cogn. is a plant native to Brazil whose genus and family (Melastomataceae) are poorly studied with regards to its metabolite profile. Phenolic pigments of pink flowers were studied by ultra-performance liquid chromatography with a photodiode array detector and electrospray ionization quadrupole time-of-flight mass spectrometry. Therein, twenty-three flavonoids were identified with eight flavonols isolated by preparative high-performance liquid chromatography and analysed by one- and two-dimensional nuclear magnetic resonance. Kaempferol derivatives were the main flavonols, encompassing almost half of the detected compounds with different substitution patterns, such as glucoside, pentosides, galloyl-glucoside, p-coumaroyl-glucoside, and glucuronide. Concerning the anthocyanins, petunidin p-coumaroyl-hexoside acetylpentoside and malvidin p-coumaroyl-hexoside acetylpentoside were identified and agreed with previous reports on acylated anthocyanins from Melastomataceae. A new kaempferol glucoside was identified as kaempferol-(2′′-O-methyl)-4′-O-α-d-glucopyranoside. Moreover, twelve compounds were described for the first time in the genus with five being new to the family, contributing to the chemical characterisation of these taxa.

scholarly journals Population-Level Analysis to Determine Parameters That Drive Variation in the Plasma Metabolite Profiles

Metabolites ◽  
2018 ◽  
Vol 8 (4) ◽  
pp. 78 ◽  
Author(s):  
Mahmoud Al-Majdoub ◽  
Katharina Herzog ◽  
Bledar Daka ◽  
Martin Magnusson ◽  
Lennart Råstam ◽  
...  
Keyword(s):  
High Performance ◽  
Principal Component ◽  
Population Level ◽  
Metabolite Profile ◽  
Cross Sectional Study ◽  
Cross Sectional ◽  
Flight Mass Spectrometry ◽  
Multiple Phenotypes ◽  
Metabolite Profiles ◽  
Plasma Metabolite

The plasma metabolome is associated with multiple phenotypes and diseases. However, a systematic study investigating clinical determinants that control the metabolome has not yet been conducted. In the present study, therefore, we aimed to identify the major determinants of the plasma metabolite profile. We used ultra-high performance liquid chromatography (UHPLC) coupled to quadrupole time of flight mass spectrometry (QTOF-MS) to determine 106 metabolites in plasma samples from 2503 subjects in a cross-sectional study. We investigated the correlation structure of the metabolite profiles and generated uncorrelated metabolite factors using principal component analysis (PCA) and varimax rotation. Finally, we investigated associations between these factors and 34 clinical covariates. Our results suggest that liver function, followed by kidney function and insulin resistance show the strongest associations with the plasma metabolite profile. The association of specific phenotypes with several components may suggest multiple independent metabolic mechanisms, which is further supported by the composition of the associated factors.

Rapid qualitative profiling of metabolites present in Fusarium solani, a rhizospheric fungus derived from Senna spectabilis, using GC/MS and UPLC-QTOF/MSE techniques assisted by UNIFI information system

2020 ◽  
Vol 26 (4) ◽  
pp. 281-291
Author(s):  
Natália Carolina Vieira ◽  
Patrícia Cardoso Cortelo ◽  
Ian Castro-Gamboa
Keyword(s):  
Mass Spectrometry ◽  
Liquid Chromatography ◽  
Ethyl Acetate ◽  
Fusarium Solani ◽  
High Performance ◽  
Ethyl Acetate Extract ◽  
Bioactive Metabolites ◽  
Flight Mass Spectrometry ◽  
Wide Range

Fungi are an important source of natural products found in a variety of plant species. A wide range of methods for the detection of metabolites present in fungi have been reported in the literature. The search for methodologies that allow the rapid detection of compounds present in crude extracts is crucial to enable the metabolite annotation doing a qualitative analysis of the complex matrix. Mass spectrometry is an important ally when it comes to in silico detection of previously reported metabolites. In this work, the ethyl acetate extract of Fusarium solani was analyzed by gas chromatography coupled to mass spectrometry (GC/MS) after derivatization process. The ethyl acetate extract was also investigated by liquid chromatography coupled with high-resolution tandem mass spectrometry assisted by the UNIFI software system. A library containing previously reported metabolites from the Fusarium genus was added to the UNIFI platform. Simultaneously, the extract was analyzed through anticholinesterase and antifungal assays. The analysis of the derivatized extract by GC/MS led to the putative identification of five metabolites, and the investigation using Ultra-High Performance Liquid Chromatography - Quadrupole Time-of-Flight Mass Spectrometry (UPLC-QTOF) analysis in data-independent acquisition mode (mass spectrometry) led to the annotation of 15 compounds present in the built-in Fusarium library added to the UNIFI system. The Fusarium solani extract showed potential anticholinesterase and in vitro antifungal activity supported by the detection of bioactive metabolites.

Application and Validation of CFD in a Turbomachinery Design System

2003 ◽  
Author(s):  
Mark R. Anderson ◽  
Fahua Gu ◽  
Paul D. MacLeod
Keyword(s):  
High Performance ◽  
Fluid Dynamic ◽  
Detailed Comparison ◽  
Design System ◽  
Flow Solver ◽  
Streamline Curvature ◽  
Wide Range ◽  
Analysis System ◽  
Pressure Changes ◽  
Turbomachinery Design

CFD (Computational Fluid Dynamics) has enjoyed widespread use in the turbomachinery industry for some time. When coupled with other solvers, such as meanline and streamline curvature, it can be an integral part of a comprehensive design and analysis system. The pbCFD (Pushbutton CFD®) product is the CFD component of Concepts NREC’s Agile Engineering Design System®. It is a structured grid CFD flow solver optimized for turbomachinery analysis. Concepts NREC has made an extensive validation effort over a wide range of diverse turbomachinery stages including, compressors, pumps, and turbines for both radial and axial machines. Detailed comparison to test data of 10 different stages is shown in this paper and clearly demonstrates the high performance of pbCFD in quantifying fluid dynamic losses and pressure changes over a wide range of geometries and flow conditions.

scholarly journals HPLC-DAD-ESI-QTOF-MS Determination of Bioactive Compounds and Antioxidant Activity Comparison of the Hydroalcoholic and Water Extracts from Two Helichrysum italicum Species

Metabolites ◽  
2020 ◽  
Vol 10 (10) ◽  
pp. 403
Author(s):  
Katja Kramberger ◽  
Darja Barlič-Maganja ◽  
Dunja Bandelj ◽  
Alenka Baruca Arbeiter ◽  
Kelly Peeters ◽  
...  
Keyword(s):  
Bioactive Compounds ◽  
High Performance ◽  
Extraction Procedure ◽  
Metabolite Profile ◽  
Extraction Process ◽  
Hot Water ◽  
Total Phenolic ◽  
Water Extracts ◽  
Flight Mass Spectrometry ◽  
Functional Beverages

Mediterranean plant Helichrysum italicum represents a rich source of versatile bioactive compounds with potential benefits for human health. Despite extensive research on the plant’s active constituents, little attention has yet been paid to characterizing the relationship between its intra-specific genetic diversity and metabolite profile. The study aimed to determine metabolic profile of H. italicum ssp. italicum (HII) and ssp. tyrrhenicum (HIT) cultivated on the experimental plantation in Slovenia and to compare the chemical composition of extracts regarding the solvent extraction process. Extracts were prepared upon conventional extract preparation procedures: maceration with 50% methanol or ethanol and cold or hot water infusion and analyzed using High Performance Liquid Chromatography-Diode Array Detection-Electrospray Ionization-Quadrupole Time-of-Flight-Mass Spectrometry (HPLC-DAD-ESI-QTOF-MS). One hundred compounds were identified in the samples, among them several isomers and derivatives were reported for the first time, while caffeoylquinic acids and pyrones were the most abundant. Semi-quantitative comparison revealed that the extraction procedure had a greater impact on the chemical profile than genetic variability. All HIT extracts showed a higher total phenolic content compared to HII, while the antioxidant potential evaluated by 1,1-diphenyl-2-picrylhydrazil test was not proportionally higher. In addition, hot water extracts proved to be comparably active as alcoholic ones, confirming high commercial potential of Helichrysum italicum as herbal functional beverages.

scholarly journals Lipid Compositions and Geographical Discrimination of 94 Geographically Authentic Wheat Samples Based on UPLC-MS with Non-Targeted Lipidomic Approach

Foods ◽  
2020 ◽  
Vol 10 (1) ◽  
pp. 10
Author(s):  
Mengchu Jin ◽  
Wenhao Zheng ◽  
Yaqiong Zhang ◽  
Boyan Gao ◽  
Liangli (Lucy) Yu
Keyword(s):  
Fatty Acids ◽  
High Performance ◽  
Unsaturated Fatty Acids ◽  
Principal Component ◽  
Geographical Differences ◽  
Safety Control ◽  
Flight Mass Spectrometry ◽  
Geographical Discrimination ◽  
Lipid Compounds ◽  
Chemical Characters

Wheat is the staple food for the world’s major populations. However, chemical characters of geographically authentic wheat samples, especially for the lipids, have not been deeply studied. The present research aimed to investigate lipid compositions of Chinese wheat samples and clarify the major markers that contribute to the geographical differences. A total of 94 wheat samples from eight main wheat-producing provinces in China were evaluated to differentiate their lipid compositions. Based on the data collected from ultra-high-performance-liquid-chromatography tandem time-of-flight mass spectrometry (UPLC-Q/TOF MS), an optimized non-targeted lipidomic method was utilized for analyses. As the results, 62 lipid compounds, including fatty acids, phospholipids, galactolipids, triglycerides, diglycerides, alkylresorcinol, and ceramide were tentatively identified. Partial least squares discriminant analysis (PLS-DA) demonstrated a more satisfying performance in distinguishing wheat samples from different origins compared with principal component analysis (PCA). Further, the abundances of triglycerides and glycerophospholipids with more unsaturated fatty acids were found greater in wheat samples from northern origins of China, while more glycolipids and unsaturated fatty acids arose in southern original wheat samples. These findings describe the lipid profiles of wheat samples in China and could contribute to the quality and safety control for the wheat flour products.

Metabolite identification and pharmacokinetic study of Lamiophlomis rotata in rats

RSC Advances ◽  
2016 ◽  
Vol 6 (29) ◽  
pp. 24331-24339 ◽  
Author(s):  
Feng Zhang ◽  
Mingping La ◽  
Xiaobin Gong ◽  
Shouhong Gao ◽  
Zhijun Wu ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
High Performance Liquid Chromatography ◽  
Liquid Chromatography ◽  
High Performance ◽  
Metabolite Identification ◽  
Metabolite Profile ◽  
Flight Mass Spectrometry ◽  
Mass Spectrometry Technique ◽  
Spectrometry Technique ◽  
Profile Study

An ultra-high performance liquid chromatography coupled with time-of-flight mass spectrometry technique and a subsequent LC-MS/MS method were developed for metabolite profile study of Lamiophlomis rotata extract after its oral administration.

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