scholarly journals Mass spectrometry-based metabolomics for the discovery of candidate markers of flavonoid and polyphenolic intake in adults

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
David Charles ◽  
Lee A. Gethings ◽  
James F. Potts ◽  
Peter G. J. Burney ◽  
Vanessa Garcia-Larsen
Keyword(s):  
Mass Spectrometry ◽  
Methyl Ester ◽  
Vegetable Intake ◽  
Dietary Exposure ◽  
Polyphenolic Compounds ◽  
Epidemiological Methods ◽  
Potential Candidate ◽  
Serum Samples ◽  
Serum Profiling ◽  
The Uk

AbstractRobust biological markers of dietary exposure are essential in improving the understanding of the link between diet and health outcomes. Polyphenolic compounds, including flavonoids, have been proposed to mitigate the risk of chronic diseases where oxidative stress and inflammation play a central role. Biomarkers can provide objective measurement of the levels of polyphenolic compounds. In this study, we provide methodology to identify potential candidate markers of polyphenol intake in human serum. Seventeen participants from the UK arm of the Global Allergy and Asthma Network of Excellence (GA2LEN) had their dietary intake estimated using a validated food frequency questionnaire, and serum samples were assessed using mass spectrometry to identify potential candidate markers. 144 features were assigned identities, of these we identified four biologically relevant compounds (rhamnazin 3-rutinoside, 2-galloyl-1,4-galactarolactone methyl ester, 2″,32″-di-O-p-coumaroylafzelin and cyclocommunin), which were significantly increased in the serum of participants with high predicted level of fruit and vegetable intake. 2-galloyl-1,4-galactarolactone methyl ester was strongly correlated with total flavonoids (r = 0.62; P = 0.005), flavan-3-ols (r = 0.67; P = 0.002) as well as with other four subclasses. Rhamnazin 3-rutinoside showed strong correlation with pro-anthocyanidins (r = 0.68; P = 0.001), flavones (r = 0.62; P = 0.005). Our results suggest that serum profiling for these compounds might be an effective way of establishing the relative intake of flavonoids and could contribute to improve the accuracy of epidemiological methods to ascertain flavonoid intake.

scholarly journals Population (Antibody) Testing for COVID-19—Technical Challenges, Application and Relevance, an English Perspective

Vaccines ◽  
2021 ◽  
Vol 9 (6) ◽  
pp. 550
Author(s):  
Peter A. C. Maple
Keyword(s):  
National Level ◽  
Herd Immunity ◽  
Population Based ◽  
Biological Properties ◽  
Limited Extent ◽  
Antibody Testing ◽  
Serum Samples ◽  
Oral Fluids ◽  
Antibody Assays ◽  
The Uk

In the UK, population virus or antibody testing using virus swabs, serum samples, blood spots or oral fluids has been performed to a limited extent for several diseases including measles, mumps, rubella and hepatitis and HIV. The collection of population-based infection and immunity data is key to the monitoring of disease prevalence and assessing the effectiveness of interventions such as behavioural modifications and vaccination. In particular, the biological properties of severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) and its interaction with the human host have presented several challenges towards the development of population-based immunity testing. Measuring SARS-CoV-2 immunity requires the development of antibody assays of acceptable sensitivity and specificity which are capable of accurately detecting seroprevalence and differentiating protection from non-protective responses. Now that anti-COVID-19 vaccines are becoming available there is a pressing need to measure vaccine efficacy and the development of herd immunity. The unprecedented impact of the SARS-CoV-2 pandemic in the UK in terms of morbidity, mortality, and economic and social disruption has mobilized a national scientific effort to learn more about this virus. In this article, the challenges of testing for SARS-CoV-2 infection, particularly in relation to population-based immunity testing, will be considered and examples given of relevant national level studies.

scholarly journals Fruit and vegetable intake: change with age across childhood and adolescence

2017 ◽  
Vol 117 (5) ◽  
pp. 759-765 ◽  
Author(s):  
Viviana Albani ◽  
Laurie T. Butler ◽  
W. Bruce Traill ◽  
Orla B. Kennedy
Keyword(s):  
Vegetable Intake ◽  
Early Adulthood ◽  
Childhood And Adolescence ◽  
Nutrition Survey ◽  
Average Intake ◽  
Eating Fruit ◽  
Important Health ◽  
Food Diaries ◽  
The Uk

AbstractEating fruit and vegetables (FV) offers important health benefits for children and adolescents, but their average intake is low. To explore if negative trends with age exist as children grow, this study modelled differences in FV consumption from childhood to young adulthood. A pseudo-panel was constructed using years 1–4 (combined) of the Rolling Programme of the UK National Diet and Nutrition Survey (NDNS) (2008/2009–2011/2012). Intake of FV in the NDNS was recorded using 4-d unweighted food diaries. The data consisted of 2131 observations of individuals aged 2–23 years. Age-year-cohort decomposition regression analyses were used to separate age effects from year and cohort effects in the data. Total energy intake was included to account for age differences in overall energy consumption. Fruit intake started to decrease from the age of 7 years for boys and girls, and reached its lowest level during adolescence. By 17 years, boys were consuming 0·93 (P=0·037) less fruit portions compared with the age of 2 years. By 15 years, girls were consuming 0·8 fruit portions less (P=0·053). Vegetable intake changed little during childhood and adolescence (P=0·0834 andP=0·843 for change between 7 and 12 years, boys and girls, respectively). There was unclear evidence of recovery of FV intakes in early adulthood. Efforts to improve FV intake should consider these trends, and focus attention on the factors influencing intake across childhood and adolescence in order to improve the nutritional quality of diets during these periods.

scholarly journals Attribution and identification of absorbed components by HPLC-DAD-ESI-MS after oral administration of Erhuang decoction

2020 ◽  
Vol 11 (1) ◽  
Author(s):  
Jinglong Wang ◽  
Dandan Zheng ◽  
Nan Xu ◽  
Chao Zhang ◽  
Yingzi Wang ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Oral Administration ◽  
Mass Spectrometry Data ◽  
Mass Spectrometry Analysis ◽  
Original Form ◽  
Bioactive Constituents ◽  
Serum Samples ◽  
Rat Serum ◽  
Esi Ms

AbstractTo realize the attribution and identification of absorbed components in rat serum after oral administration of Erhuang decoction prepared by semi-bionic enzyme extraction method, the fingerprints of serum samples were established using a HPLC-DAD-ESI-MS method. Thirty-two peaks in Erhuang decoction and 24 peaks in rat serum after oral administration of Erhuang decoction were detected. Among the 24 peaks detected in rat serum, 25 compounds were identified by comparing the retention time and mass spectrometry data with that of reference compounds, or by mass spectrometry analysis and retrieving the reference literatures. Among the identified 25 compounds in vivo, 24 were the original form of compounds absorbed from the detected compounds in vitro, and one was the metabolite compounds of licorice. By analyzing the mass spectrometry or ultraviolet absorption characteristics, other unidentified compounds in vivo were deduced to be the endogenous metabolites in serum or the original form and metabolites of the compounds existed in vivo. Results indicated that HPLC-DAD-ESI-MS is suitable for identifying the bioactive constituents in serum after oral administration of Erhuang decoction, and the findings would be beneficial to further research and development of the pharmacodynamic substance base of Erhuang decoction.

Determination of cocaine and its metabolites in blood serum by liquid chromatography coupled to tandem mass spectrometry (LC-MS/MS)

2016 ◽  
Vol 52 (2) ◽  
pp. 85-94
Author(s):  
Barbara Potocka-Banaś ◽  
Krzysztof Borowiak ◽  
Tomasz Janus ◽  
Teresa Dembińska ◽  
Alicja Rak
Keyword(s):  
Mass Spectrometry ◽  
Liquid Chromatography ◽  
Methyl Ester ◽  
Tandem Mass Spectrometry ◽  
Tandem Mass ◽  
Declustering Potential ◽  
Chromatography Tandem Mass Spectrometry ◽  
Ecgonine Methyl Ester ◽  
Liquid Chromatography Tandem Mass

The aim of the study was to evaluate the usefulness of liquid chromatography-tandem mass spectrometry for determination of cocaine and its metabolites (benzoylecgonine, ecgonine methyl ester) in biological material. Method. Cocaine and its metabolites were quantified using liquid chromatography coupled to tandem mass spectrometry (LC/MS/MS). Results. The extraction repeated twice with smaller portions of solvent showed higher efficiency and lower values of standard deviation that is why it was applied to further analysis. To increase sensitivity of LC/MS/MS method optimization of declustering potential was performed over 0-300V range and DP=100V was chosen. Collision energy for cocaine and benzoylecgonine was 25V and for ecgonine methyl ester was 22V. High resolution of the apparatus allowed to select narrow signal range for each compound: 185,135±0.025 Da for cocaine-d3, 182,120±0.025 Da for cocaine, 168,105±0.025 Da for benzoylecgonine and 182,125±0.025 Da for ecgonine methyl ester. Results obtained from analysis of two series of cocaine, benzoylecgonine and ecgonine methyl ester samples allowed to plot calibration curves within the range of 1-100 ng/ml which showed linearity. Conclusion. Obtained results allowed for identification and quantitative determination of cocaine and its metabolites (benzoylecgonine and ecgonine methyl ester) in human serum. Liquid chromatography-tandem mass spectrometry can find application in both forensic and clinical toxicology.

scholarly journals Exploring the Phytochemicals of Acacia melanoxylon R. Br.

Plants ◽  
2021 ◽  
Vol 10 (12) ◽  
pp. 2698
Author(s):  
Diana Alves ◽  
Sidónio Duarte ◽  
Pedro Arsénio ◽  
Joana Gonçalves ◽  
Cecília M. P. Rodrigues ◽  
...  
Keyword(s):  
Colorectal Cancer ◽  
Mass Spectrometry ◽  
Methyl Ester ◽  
Nmr Assignments ◽  
2D Nmr ◽  
Human Colorectal Cancer ◽  
2D Nmr Spectroscopy ◽  
Acacia Melanoxylon ◽  
Colorectal Cancer Cells ◽  
Human Colorectal Cancer Cells

Invasive species are currently a world menace to the environment, although the study of their chemistry may provide a means for their future beneficial use. From a study of Portuguese Acacia melanoxylon R. Br. five known compounds were isolated: lupeol, 3β-Z-coumaroyl lupeol, 3β-E-coumaroyl lupeol (dioslupecin A), kolavic acid 15-methyl ester and vomifoliol (blumenol A). Their structures were elucidated by 1D and 2D NMR spectroscopy and mass spectrometry, and as a result some corrections are made to their previous 13C NMR assignments. Cytotoxicity of 3β-E-coumaroyl lupeol (dioslupecin A) and kolavic acid 15-methyl ester was evaluated against HCT116 human colorectal cancer cells although biological activity was not evident.

scholarly journals Retention Time Standardization and Registration (RTStaR): An algorithm that matches corresponding and identifies unique species in nanoliquid chromatography-nanoelectrospray ionization-mass spectrometry lipidomic datasets

2021 ◽  
Author(s):  
Alexandre P Blanchard ◽  
Yun Wang ◽  
Graeme P Taylor ◽  
Matthew W Granger ◽  
Stephen Fai ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Retention Time ◽  
Population Based ◽  
Ionization Mass ◽  
Serum Samples ◽  
Bioinformatic Tools ◽  
Nanoelectrospray Ionization ◽  
Large Numbers ◽  
Lipid Species ◽  
Nanoliquid Chromatography

Bioinformatic tools capable of registering, rapidly and reproducibly, large numbers of nanoliquid chromatography-nanoelectrospray ionization-tandem mass spectrometry (nLC-nESI-MS/MS) lipidomic datasets are lacking. We provide here a freely available Retention Time Standardization and Registration (RTStaR) algorithm that aligns nLC-nESI-MS/MS spectra within a single dataset and compares these aligned retention times across multiple datasets. This two-step calibration matches cor-responding and identifies unique lipid species in different lipidomes from different matrices and organisms. RTStaR was developed using a population-based study of 1001 human serum samples composed of 71 distinct glycerophosphocholine metabolites comprising a total of 68,572 analytes. Platform and matrix independence were validated using different MS instruments, nLC methodologies, and mammalian lipidomes. The complete algorithm is packaged in two modular ExcelTM workbook templates for easy implementation. RTStaR is freely available from the India Taylor Lipidomics Research Platform http://www.neurolipidomics.ca/rtstar/rtstar.html. Technical support is provided through [email protected]

scholarly journals Novel circulating protein biomarkers for thyroid cancer determined through data-independent acquisition mass spectrometry

PeerJ ◽  
2020 ◽  
Vol 8 ◽  
pp. e9507
Author(s):  
Dandan Li ◽  
Jie Wu ◽  
Zhongjuan Liu ◽  
Ling Qiu ◽  
Yimin Zhang
Keyword(s):  
Mass Spectrometry ◽  
Area Under The Curve ◽  
High Sensitivity ◽  
Factor H ◽  
Complement Factor ◽  
Protein Biomarkers ◽  
Serum Samples ◽  
Data Independent Acquisition ◽  
Median Serum ◽  
And Control

Background Distinguishing between different types of thyroid cancers (TC) remains challenging in clinical laboratories. As different tumor types require different clinical interventions, it is necessary to establish new methods for accurate diagnosis of TC. Methods Proteomic analysis of the human serum was performed through data-independent acquisition mass spectrometry for 29 patients with TC (stages I–IV): 13 cases of papillary TC (PTC), 10 cases of medullary TC (MTC), and six cases follicular TC (FTC). In addition, 15 patients with benign thyroid nodules (TNs) and 10 healthy controls (HCs) were included in this study. Subsequently, 17 differentially expressed proteins were identified in 291 patients with TC, including 247 with PTC, 38 with MTC, and six with FTC, and 69 patients with benign TNs and 176 with HC, using enzyme-linked immunosorbent assays. Results In total, 517 proteins were detected in the serum samples using an Orbitrap Q-Exactive-plus mass spectrometer. The amyloid beta A4 protein, apolipoprotein A-IV, gelsolin, contactin-1, gamma-glutamyl hydrolase, and complement factor H-related protein 1 (CFHR1) were selected for further analysis. The median serum CFHR1 levels were significantly higher in the MTC and FTC groups than in the PTC and control groups (P < 0.001). CFHR1 exhibited higher diagnostic performance in distinguishing patients with MTC from those with PTC (P < 0.001), with a sensitivity of 100.0%, specificity of 85.08%, area under the curve of 0.93, and detection cut-off of 0.92 ng/mL. Conclusion CFHR1 may serve as a novel biomarker to distinguish PTC from MTC with high sensitivity and specificity.

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