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Metabolomics: Official Journal of the Metabolomic Society

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https://www.readbyqxmd.com/read/28496395/a-relative-quantitative-positive-negative-ion-switching-method-for-untargeted-lipidomics-via-high-resolution-lc-ms-ms-from-any-biological-source
#1
Susanne B Breitkopf, Stéphane J H Ricoult, Min Yuan, Ying Xu, David A Peake, Brendan D Manning, John M Asara
INTRODUCTION: Advances in high-resolution mass spectrometry have created renewed interest for studying global lipid biochemistry in disease and biological systems. OBJECTIVES: Here, we present an untargeted 30 min. LC-MS/MS platform that utilizes positive/negative polarity switching to perform unbiased data dependent acquisitions (DDA) via higher energy collisional dissociation (HCD) fragmentation to profile more than 1000-1500 lipid ions mainly from methyl-tert-butyl ether (MTBE) or chloroform:methanol extractions...
March 2017: Metabolomics: Official Journal of the Metabolomic Society
https://www.readbyqxmd.com/read/28190989/candidate-serum-metabolite-biomarkers-for-differentiating-gastroesophageal-reflux-disease-barrett-s-esophagus-and-high-grade-dysplasia-esophageal-adenocarcinoma
#2
Matthew F Buas, Haiwei Gu, Danijel Djukovic, Jiangjiang Zhu, Lynn Onstad, Brian J Reid, Daniel Raftery, Thomas L Vaughan
INTRODUCTION/OBJECTIVES: Incidence of esophageal adenocarcinoma (EA), an often fatal cancer, has increased sharply over recent decades. Several important risk factors (reflux, obesity, smoking) have been identified for EA and its precursor, Barrett's esophagus (BE), but a key challenge remains identifying individuals at highest risk, since most with reflux do not develop BE, and most with BE do not progress to cancer. Metabolomics represents an emerging approach for identifying novel biomarkers associated with cancer development...
March 2017: Metabolomics: Official Journal of the Metabolomic Society
https://www.readbyqxmd.com/read/28596719/a-methodology-for-elucidating-regulatory-mechanisms-leading-to-changes-in-lipid-profiles
#3
Ferran Casbas Pinto, Srinivarao Ravipati, David A Barrett, T Charles Hodgman
INTRODUCTION: It is difficult to elucidate the metabolic and regulatory factors causing lipidome perturbations. OBJECTIVES: This work simplifies this process. METHODS: A method has been developed to query an online holistic lipid metabolic network (of 7923 metabolites) to extract the pathways that connect the input list of lipids. RESULTS: The output enables pathway visualisation and the querying of other databases to identify potential regulators...
2017: Metabolomics: Official Journal of the Metabolomic Society
https://www.readbyqxmd.com/read/28596718/mass-spectrometry-based-metabolomics-for-in-vitro-systems-pharmacology-pitfalls-challenges-and-computational-solutions
#4
Stephanie Herman, Payam Emami Khoonsari, Obaid Aftab, Shibu Krishnan, Emil Strömbom, Rolf Larsson, Ulf Hammerling, Ola Spjuth, Kim Kultima, Mats Gustafsson
INTRODUCTION: Mass spectrometry based metabolomics has become a promising complement and alternative to transcriptomics and proteomics in many fields including in vitro systems pharmacology. Despite several merits, metabolomics based on liquid chromatography mass spectrometry (LC-MS) is a developing area that is yet attached to several pitfalls and challenges. To reach a level of high reliability and robustness, these issues need to be tackled by implementation of refined experimental and computational protocols...
2017: Metabolomics: Official Journal of the Metabolomic Society
https://www.readbyqxmd.com/read/28596717/integration-of-metabolomic-and-transcriptomic-networks-in-pregnant-women-reveals-biological-pathways-and-predictive-signatures-associated-with-preeclampsia
#5
Rachel S Kelly, Damien C Croteau-Chonka, Amber Dahlin, Hooman Mirzakhani, Ann C Wu, Emily S Wan, Michael J McGeachie, Weiliang Qiu, Joanne E Sordillo, Amal Al-Garawi, Kathryn J Gray, Thomas F McElrath, Vincent J Carey, Clary B Clish, Augusto A Litonjua, Scott T Weiss, Jessica A Lasky-Su
INTRODUCTION: Preeclampsia is a leading cause of maternal and fetal mortality worldwide, yet its exact pathogenesis remains elusive. OBJECTIVES: This study, nested within the Vitamin D Antenatal Asthma Reduction Trial (VDAART), aimed to develop integrated omics models of preeclampsia that have utility in both prediction and in the elucidation of underlying biological mechanisms. METHODS: Metabolomic profiling was performed on first trimester plasma samples of 47 pregnant women from VDAART who subsequently developed preeclampsia and 62 controls with healthy pregnancies, using liquid-chromatography tandem mass-spectrometry...
January 2017: Metabolomics: Official Journal of the Metabolomic Society
https://www.readbyqxmd.com/read/28473745/metabolic-profiling-identifies-trehalose-as-an-abundant-and-diurnally-fluctuating-metabolite-in-the-microalga-ostreococcus-tauri
#6
Matthias Hirth, Silvia Liverani, Sebastian Mahlow, François-Yves Bouget, Georg Pohnert, Severin Sasso
INTRODUCTION: The picoeukaryotic alga Ostreococcus tauri (Chlorophyta) belongs to the widespread group of marine prasinophytes. Despite its ecological importance, little is known about the metabolism of this alga. OBJECTIVES: In this work, changes in the metabolome were quantified when O. tauri was grown under alternating cycles of 12 h light and 12 h darkness. METHODS: Algal metabolism was analyzed by gas chromatography-mass spectrometry...
2017: Metabolomics: Official Journal of the Metabolomic Society
https://www.readbyqxmd.com/read/28473744/untargeted-metabolomics-reveals-a-mild-impact-of-remote-ischemic-conditioning-on-the-plasma-metabolome-and-%C3%AE-hydroxybutyrate-as-a-possible-cardioprotective-factor-and-biomarker-of-tissue-ischemia
#7
Mia Roest Laursen, Jakob Hansen, Casper Elkjær, Ninna Stavnager, Camilla Bak Nielsen, Kasper Pryds, Jacob Johnsen, Jan Møller Nielsen, Hans Erik Bøtker, Mogens Johannsen
INTRODUCTION: Remote ischemic conditioning (RIC) is a maneuver by which short non-lethal ischemic events are applied on distant organs or limbs to reduce ischemia and reperfusion injuries caused by e.g. myocardial infarct. Although intensively investigated, the specific mechanism of this protective phenomenon remains incompletely understood and in particular, knowledge on the role of small metabolites is scarce. OBJECTIVES: In this study, we aimed to study perturbations in the plasma metabolome following RIC and gain insight into metabolic changes by the intervention as well as to identify potential novel cardio-protective metabolites...
2017: Metabolomics: Official Journal of the Metabolomic Society
https://www.readbyqxmd.com/read/28473743/the-effects-of-thawing-on-the-plasma-metabolome-evaluating-differences-between-thawed-plasma-and-multi-organ-samples
#8
Frida Torell, Kate Bennett, Stefan Rännar, Katrin Lundstedt-Enkel, Torbjörn Lundstedt, Johan Trygg
INTRODUCTION: Post-collection handling, storage and transportation can affect the quality of blood samples. Pre-analytical biases can easily be introduced and can jeopardize accurate profiling of the plasma metabolome. Consequently, a mouse study must be carefully planned in order to avoid any kind of bias that can be introduced, in order not to compromise the outcome of the study. The storage and shipment of the samples should be made in such a way that the freeze-thaw cycles are kept to a minimum...
2017: Metabolomics: Official Journal of the Metabolomic Society
https://www.readbyqxmd.com/read/28413374/discrimination-of-pancreatic-cancer-and-pancreatitis-by-lc-ms-metabolomics
#9
Anna Lindahl, Rainer Heuchel, Jenny Forshed, Janne Lehtiö, Matthias Löhr, Anders Nordström
INTRODUCTION: Pancreatic ductal adenocarcinoma (PDAC) is the fifth most common cause of cancer-related death in Europe with a 5-year survival rate of <5%. Chronic pancreatitis (CP) is a risk factor for PDAC development, but in the majority of cases malignancy is discovered too late for curative treatment. There is at present no reliable diagnostic marker for PDAC available. OBJECTIVES: The aim of the study was to identify single blood-based metabolites or a panel of metabolites discriminating PDAC and CP using liquid chromatography-mass spectrometry (LC-MS)...
2017: Metabolomics: Official Journal of the Metabolomic Society
https://www.readbyqxmd.com/read/28316560/lysopc-acyl-c16-0-is-associated-with-brown-adipose-tissue-activity-in-men
#10
Mariëtte R Boon, Leontine E H Bakker, Cornelia Prehn, Jerzy Adamski, Maarten J Vosselman, Ingrid M Jazet, Lenka M Pereira Arias-Bouda, Wouter D Marken van Lichtenbelt, Ko Willems van Dijk, Patrick C N Rensen, Dennis O Mook-Kanamori
INTRODUCTION: Brown adipose tissue (BAT) recently emerged as a potential therapeutic target in the treatment of obesity and associated disorders due to its fat-burning capacity. The current gold standard in assessing BAT activity is [(18)F]FDG PET-CT scan, which has severe limitations including radiation exposure, being expensive, and being labor-intensive. Therefore, indirect markers are needed of human BAT activity and volume. OBJECTIVE: We aimed to identify metabolites in serum that are associated with BAT volume and activity in men...
2017: Metabolomics: Official Journal of the Metabolomic Society
https://www.readbyqxmd.com/read/28286460/lipid-response-patterns-in-acute-phase-paediatric-plasmodium-falciparum-malaria
#11
Judy Orikiiriza, Izabella Surowiec, Elisabeth Lindquist, Mari Bonde, Jimmy Magambo, Charles Muhinda, Sven Bergström, Johan Trygg, Johan Normark
INTRODUCTION: Several studies have observed serum lipid changes during malaria infection in humans. All of them were focused at analysis of lipoproteins, not specific lipid molecules. The aim of our study was to identify novel patterns of lipid species in malaria infected patients using lipidomics profiling, to enhance diagnosis of malaria and to evaluate biochemical pathways activated during parasite infection. METHODS: Using a multivariate characterization approach, 60 samples were representatively selected, 20 from each category (mild, severe and controls) of the 690 study participants between age of 0...
2017: Metabolomics: Official Journal of the Metabolomic Society
https://www.readbyqxmd.com/read/28261014/nmrprocflow-a-graphical-and-interactive-tool-dedicated-to-1d-spectra-processing-for-nmr-based-metabolomics
#12
D Jacob, C Deborde, M Lefebvre, M Maucourt, A Moing
INTRODUCTION: Concerning NMR-based metabolomics, 1D spectra processing often requires an expert eye for disentangling the intertwined peaks. OBJECTIVES: The objective of NMRProcFlow is to assist the expert in this task in the best way without requirement of programming skills. METHODS: NMRProcFlow was developed to be a graphical and interactive 1D NMR ((1)H & (13)C) spectra processing tool. RESULTS: NMRProcFlow (http://nmrprocflow...
2017: Metabolomics: Official Journal of the Metabolomic Society
https://www.readbyqxmd.com/read/28255294/multilevel-pharmacokinetics-driven-modeling-of-metabolomics-data
#13
Emilia Daghir-Wojtkowiak, Paweł Wiczling, Małgorzata Waszczuk-Jankowska, Roman Kaliszan, Michał Jan Markuszewski
INTRODUCTION: Multilevel modeling is a quantitative statistical method to investigate variability and relationships between variables of interest, taking into account population structure and dependencies. It can be used for prediction, data reduction and causal inference from experiments and observational studies allowing for more efficient elucidation of knowledge. OBJECTIVES: In this study we introduced the concept of multilevel pharmacokinetics (PK)-driven modelling for large-sample, unbalanced and unadjusted metabolomics data comprising nucleoside and creatinine concentration measurements in urine of healthy and cancer patients...
2017: Metabolomics: Official Journal of the Metabolomic Society
https://www.readbyqxmd.com/read/28190990/the-translation-of-lipid-profiles-to-nutritional-biomarkers-in-the-study-of-infant-metabolism
#14
Animesh Acharjee, Philippa Prentice, Carlo Acerini, James Smith, Ieuan A Hughes, Ken Ong, Julian L Griffin, David Dunger, Albert Koulman
INTRODUCTION: Links between early life exposures and later health outcomes may, in part, be due to nutritional programming in infancy. This hypothesis is supported by observed long-term benefits associated with breastfeeding, such as better cognitive development in childhood, and lower risks of obesity and high blood pressure in later life. However, the possible underlying mechanisms are expected to be complex and may be difficult to disentangle due to the lack of understanding of the metabolic processes that differentiate breastfed infants compared to those receiving just formula feed...
2017: Metabolomics: Official Journal of the Metabolomic Society
https://www.readbyqxmd.com/read/28111530/ultra-high-performance-liquid-chromatography-high-resolution-mass-spectrometry-plasma-lipidomics-can-distinguish-between-canine-breeds-despite-uncontrolled-environmental-variability-and-non-standardized-diets
#15
Amanda J Lloyd, Manfred Beckmann, Thomas Wilson, Kathleen Tailliart, David Allaway, John Draper
INTRODUCTION AND OBJECTIVES: The purpose of this study was to use high accurate mass metabolomic profiling to investigate differences within a phenotypically diverse canine population, with breed-related morphological, physiological and behavioural differences. Previously, using a broad metabolite fingerprinting approach, lipids appear to dominate inter- and intra- breed discrimination. The purpose here was to use Ultra High Performance Liquid Chromatography-High Resolution Mass Spectrometry (UHPLC-HRMS) to identify in more detail, inter-breed signatures in plasma lipidomic profiles of home-based, client-owned dogs maintained on different diets and fed according to their owners' feeding regimens...
2017: Metabolomics: Official Journal of the Metabolomic Society
https://www.readbyqxmd.com/read/28090199/mastr-ms-a-web-based-collaborative-laboratory-information-management-system-lims-for-metabolomics
#16
Adam Hunter, Saravanan Dayalan, David De Souza, Brad Power, Rodney Lorrimar, Tamas Szabo, Thu Nguyen, Sean O'Callaghan, Jeremy Hack, James Pyke, Amsha Nahid, Roberto Barrero, Ute Roessner, Vladimir Likic, Dedreia Tull, Antony Bacic, Malcolm McConville, Matthew Bellgard
BACKGROUND: An increasing number of research laboratories and core analytical facilities around the world are developing high throughput metabolomic analytical and data processing pipelines that are capable of handling hundreds to thousands of individual samples per year, often over multiple projects, collaborations and sample types. At present, there are no Laboratory Information Management Systems (LIMS) that are specifically tailored for metabolomics laboratories that are capable of tracking samples and associated metadata from the beginning to the end of an experiment, including data processing and archiving, and which are also suitable for use in large institutional core facilities or multi-laboratory consortia as well as single laboratory environments...
2017: Metabolomics: Official Journal of the Metabolomic Society
https://www.readbyqxmd.com/read/28090198/computational-tools-and-workflows-in-metabolomics-an-international-survey-highlights-the-opportunity-for-harmonisation-through-galaxy
#17
Ralf J M Weber, Thomas N Lawson, Reza M Salek, Timothy M D Ebbels, Robert C Glen, Royston Goodacre, Julian L Griffin, Kenneth Haug, Albert Koulman, Pablo Moreno, Markus Ralser, Christoph Steinbeck, Warwick B Dunn, Mark R Viant
No abstract text is available yet for this article.
2017: Metabolomics: Official Journal of the Metabolomic Society
https://www.readbyqxmd.com/read/28058041/integration-of-pharmacometabolomics-with-pharmacokinetics-and-pharmacodynamics-towards-personalized-drug-therapy
#18
Vasudev Kantae, Elke H J Krekels, Michiel J Van Esdonk, Peter Lindenburg, Amy C Harms, Catherijne A J Knibbe, Piet H Van der Graaf, Thomas Hankemeier
Personalized medicine, in modern drug therapy, aims at a tailored drug treatment accounting for inter-individual variations in drug pharmacology to treat individuals effectively and safely. The inter-individual variability in drug response upon drug administration is caused by the interplay between drug pharmacology and the patients' (patho)physiological status. Individual variations in (patho)physiological status may result from genetic polymorphisms, environmental factors (including current/past treatments), demographic characteristics, and disease related factors...
2017: Metabolomics: Official Journal of the Metabolomic Society
https://www.readbyqxmd.com/read/27980503/stability-of-targeted-metabolite-profiles-of-urine-samples-under-different-storage-conditions
#19
Markus Rotter, Stefan Brandmaier, Cornelia Prehn, Jonathan Adam, Sylvia Rabstein, Katarzyna Gawrych, Thomas Brüning, Thomas Illig, Heiko Lickert, Jerzy Adamski, Rui Wang-Sattler
INTRODUCTION: Few studies have investigated the influence of storage conditions on urine samples and none of them used targeted mass spectrometry (MS). OBJECTIVES: We investigated the stability of metabolite profiles in urine samples under different storage conditions using targeted metabolomics. METHODS: Pooled, fasting urine samples were collected and stored at -80 °C (biobank standard), -20 °C (freezer), 4 °C (fridge), ~9 °C (cool pack), and ~20 °C (room temperature) for 0, 2, 8 and 24 h...
2017: Metabolomics: Official Journal of the Metabolomic Society
https://www.readbyqxmd.com/read/27980502/granulocyte-colony-stimulating-factor-alters-the-systemic-metabolomic-profile-in-healthy-donors
#20
Kimberley Joanne Hatfield, Guro Kristin Melve, Øystein Bruserud
INTRODUCTION: Peripheral blood stem cells mobilized by granulocyte colony-stimulating factor (G-CSF) from healthy donors are commonly used for allogeneic stem cell transplantation. The effect of G-CSF administration on global serum metabolite profiles has not been investigated before. OBJECTIVES: This study aims to examine the systemic metabolomic profiles prior to and following administration of G-CSF in healthy adults. METHODS: Blood samples were collected from 15 healthy stem cell donors prior to and after administration of G-CSF 10 µg/kg/day for 4 days...
2017: Metabolomics: Official Journal of the Metabolomic Society
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