Impact of heat stress during seed development on soybean seed metabolome
Abstract Seed development is a temperature-sensitive process that is much more vulnerable than vegetative tissues to abiotic stresses. High temperatures during soybean (Glycine max) seed development frequently results in seed with poor germination, increased incidence of pathogen infection, and decreased economic value. Climate change is expected to increase the incidence and severity of summer heatwaves, and the impact of heat stress on seed development will become more widespread during the course of the twenty-first century. Global metabolite profiles were contrasted between seed from heat-tolerant and heat-su...
Source: Metabolomics - January 8, 2016 Category: Biology Source Type: research

Metabolomics of chronic obstructive pulmonary disease and obstructive sleep apnea syndrome: a comment
(Source: Metabolomics)
Source: Metabolomics - January 8, 2016 Category: Biology Source Type: research

Mass spectrometry imaging of amino neurotransmitters: a comparison of derivatization methods and application in mouse brain tissue
Abstract The detection of small polar compounds such as amino neurotransmitters by MALDI mass spectrometry imaging has been hindered by low-detection sensitivity and background interferences. Recently, several of on-tissue chemical derivatization strategies have been independently reported that enable their detection. Here, we present a comparison between these methods, and demonstrate the visualization of the distributions of up to 23 amino metabolites in tissue. We applied this methodology to detect alterations of these compounds after inducing an experimental cortical spreading depression in mouse brain, which...
Source: Metabolomics - January 8, 2016 Category: Biology Source Type: research

Metabolomic biomarkers for personalised glucose lowering drugs treatment in type 2 diabetes
Abstract We aimed to identify metabolites to predict patients’ response to glucose lowering treatment during the first 5 years after detection of type 2 diabetes. Metabolites were measured by GC–MS in baseline samples from 346 screen-detected type 2 diabetes patients in the ADDITION-NL study. The response to treatment with metformin and/or sulphonylurea (SU) was analysed to identify metabolites predictive of 5 year HbA1c change by multiple regression analysis. Baseline glucose and 1,5 anhydro-glucitol were associated with HbA1c decrease in all medication groups. In patients on SU no other me...
Source: Metabolomics - January 6, 2016 Category: Biology Source Type: research

Metabolomic analysis of human synovial fluid and plasma reveals that phosphatidylcholine metabolism is associated with both osteoarthritis and diabetes mellitus
This study was to investigate how OA patients with metabolic syndrome (MetS) are different metabolically from OA patients without MetS components and healthy individuals. A two-stage case–control study design was utilized. Synovial fluid (SF) and plasma samples were collected from patients undergoing total knee joint replacement due to primary OA and healthy controls (only plasma) and metabolically profiled using UPLC-MS coupled with assay kit which measures 186 metabolites. Orthogonal projection to latent structure-discriminant analysis and linear regression were used to identify metabolic markers for discrimina...
Source: Metabolomics - January 4, 2016 Category: Biology Source Type: research

Gut microbial activity as influenced by fiber digestion: dynamic metabolomics in an in vitro colon simulator
Abstract Understanding the interaction between the gut microbial activity and the host is essential, and in vitro models are being used to test and develop hypotheses regarding the impact of food components/drugs on the human gut ecosystem. However, while in vitro models provide excellent possibilities for dynamic investigations, studies have commonly been restricted to analyses of few, targeted metabolites. In the present study, we employed NMR-based metabolomics combined with multilevel data analysis as a tool to characterize the impact of polydextrose (PDX) fiber on the in vitro derived fecal metabolome. This ...
Source: Metabolomics - January 4, 2016 Category: Biology Source Type: research

Quantitative target analysis and kinetic profiling of acyl-CoAs reveal the rate-limiting step in cyanobacterial 1-butanol production
In this study, we performed quantitative target analysis and kinetic profiling of acyl-CoAs in the CoA-dependent pathway by reversed phase ion-pair liquid chromatography-triple quadrupole mass spectrometry. Using 13C-labelled cyanobacterial cell extract as internal standard, measurement of the intracellular concentration of acyl-CoAs revealed that the reductive reaction of butanoyl-CoA to butanal is a possible rate-limiting step. In addition, improvement of the butanoyl-CoA to butanal reaction resulted in an increased rate of acetyl-CoA synthesis by possibly compensating for the limitation of free CoA species. We inferred ...
Source: Metabolomics - January 4, 2016 Category: Biology Source Type: research

GC–MS based metabolite profiling for flavor characterization of Brassica crops grown with different fertilizer application
In this study, to determine the sensory quality of mizuna (Brassica rapa L. var. Nipposinica), one of a Brassica leafy crops grown with different fertilizer application, GC–MS based hydrophilic metabolites and volatiles as well as sensory attributes were measured. Clusters of applied fertilizer condition were significantly divided between with or without manure amendments within all the variances including sensory and metabolite data. Projection to latent structures regression analyzes revealed that l-glutamine, l-asparagine, and other amino acids negatively correlated with bitterness, whereas raffinose, maltose, and...
Source: Metabolomics - December 31, 2015 Category: Biology Source Type: research

LC-ESI MS/MS profiling of polar steroid metabolites of the Far Eastern starfish Patiria ( = Asterina) pectinifera
Abstract Profiling of asterosaponins, polyhydroxysteroids and glycosides of polyhydroxysteroids of the common in the Far Eastern sea waters starfish Patiria (=Asterina) pectinifera was performed by LC-ESI MS and LC-APPI MS. The 72 polar steroid metabolites, including 35 asterosaponins, 22 polyhydroxysteroids and 15 sulfated glycosides of polyhydroxysteroids, were detected and identified using the LC–MS and LC–MS/MS spectra. The steroid metabolome of P. pectinifera is characterized by large number of sulfated and non-sulfated highly oxidized compounds with cholestane, ergostane and stigmastane skeleton...
Source: Metabolomics - December 31, 2015 Category: Biology Source Type: research

Effects of synthetic large-scale genome reduction on metabolism and metabolic preferences in a nutritionally complex environment
Abstract The soil bacterium Sinorhizobium meliloti forms nodules on the roots of leguminous plants, where N2 is reduced to ammonia. Its genome includes a 3.65 Mb chromosome, a 1.35 Mb pSymA megaplasmid, and a 1.68 Mb pSymB chromid. pSymA and pSymB constitute ~45 % of the genome and here a non-targeted approach was used to identify the metabolic consequences of the removal of these replicons. Polar and non-polar metabolites from wild-type, ∆pSymA, ∆pSymB, and ∆pSymAB cells and supernatants across a growth curve were analyzed by LC–HILIC–TOF–MS. 2008 metabolite features w...
Source: Metabolomics - December 31, 2015 Category: Biology Source Type: research

Nucleoside recycling in the brain and the nucleosidome: a complex metabolic and molecular cross-talk between the extracellular nucleotide cascade system and the intracellular nucleoside salvage
Abstract The transports of nucleosides from blood into neurons and astrocytes are essential prerequisites to enter their metabolic utilization in brain. Adult brain does not possess the de novo nucleotide synthesis, and maintains its nucleotide pools by salvaging preformed nucleosides imported from liver. Once nucleosides enter the brain through the blood brain barrier and the nucleoside transporters, they become obligatory precursors for the synthesis of RNA and DNA and a plethora of other important functions. However, an aliquot of nucleotides are transferred into vesicular nucleotide transporters, and then in ...
Source: Metabolomics - December 31, 2015 Category: Biology Source Type: research

Tissue sample stability: thawing effect on multi-organ samples
Abstract Correct handling of samples is essential in metabolomic studies. Improper handling and prolonged storage of samples has unwanted effects on the metabolite levels. The aim of this study was to identify the effects that thawing has on different organ samples. Organ samples from gut, kidney, liver, muscle and pancreas were analyzed for a number of endogenous metabolites in an untargeted metabolomics approach, using gas chromatography time of flight mass spectrometry at the Swedish Metabolomics Centre, Umeå University, Sweden. Multivariate data analysis was performed by means of principal component ana...
Source: Metabolomics - December 31, 2015 Category: Biology Source Type: research

Differential plasma lipids profiling and lipid signatures as biomarkers in the early diagnosis of ovarian carcinoma using UPLC-MS
Abstract Biological requirements for tumor cell proliferation include the sustained increase of structural, energetic, signal transduction and biosynthetic precursors. Because lipids participate in the self-assembly of phospholipids to form biological membranes, they play important roles in membrane construction, energy storage, and cell signaling. We hypothesized that the differences in lipids between malignant ovarian carcinomas, benign ovarian tumors and normal controls could be reflected in the bio-fluids. A total of 215 pre-operative plasma samples were collected from 139 epithelial ovarian cancer (EOC), 38 ...
Source: Metabolomics - December 18, 2015 Category: Biology Source Type: research

Continued growth, continual progress, and continuous publications
(Source: Metabolomics)
Source: Metabolomics - December 15, 2015 Category: Biology Source Type: research

Statistical treatment of 2D NMR COSY spectra in metabolomics: data preparation, clustering-based evaluation of the Metabolomic Informative Content and comparison with 1 H-NMR
Abstract Compared with the widely used 1H-NMR spectroscopy, two-dimensional NMR experiments provide more sophisticated spectra which should facilitate the identification of relevant spectral zones or biomarkers in metabolomics. This paper focuses on 1H-1H COrrelation SpectroscopY (COSY) spectral data. In spite of longer inherent acquisition times, it is commonly accepted by users (biologists, healthcare professionals) that the introduction of an additional dimension probably represents a huge qualitative step for investigations in terms of metabolites identification. Moreover, it seems natural that more informati...
Source: Metabolomics - November 20, 2015 Category: Biology Source Type: research

Informative metabolites identification by variable importance analysis based on random variable combination
Abstract Main target of metabolomics research is to reveal informative metabolites or biomarkers, which can be considered as a process of variable selection. So far, several methods, such as regression coefficient (RC), weights or variable importance in projection (VIP), have been widely used to assess the variable importance when building the partial least squares linear discriminant analysis PLS-LDA classification model. Then a set of metabolites can be selected by fixing a threshold value considering the rank of metabolites. However, they do not take into account the combination effect among a subset of variab...
Source: Metabolomics - November 20, 2015 Category: Biology Source Type: research

Changes in urine headspace composition as an effect of strenuous walking
Abstract The present investigation uses proton transfer reaction mass spectrometry (PTR-MS) combined with multivariate and univariate statistical analyses to study potential biomarkers for altered metabolism in urine due to strenuous walking. Urine samples, in concurrence with breath and blood samples, were taken from 51 participants (23 controls, 11 type-1 diabetes, 17 type-2 diabetes) during the Dutch endurance walking event, the International Four Days Marches. Multivariate analysis allowed for discrimination of before and after exercise for all three groups (control, type-1 and type-2 diabetes) and on three o...
Source: Metabolomics - October 16, 2015 Category: Biology Source Type: research

Advances in understanding CO 2 responsive plant metabolomes in the era of climate change
Abstract Anthropogenic climate change due to increased CO2 emission poses a major threat to global crop productivity, food quality, and security. Numerous studies, mostly classical, have predicted the effects of increased CO2 levels on environmental temperature and water balance, and on the life cycle, biomass, photosynthesis, leaf carbon/nitrogen ratio, and stomatal distribution in various plant species. With the advent of high-throughput tools for studying plant-CO2 responsiveness, it is now possible to obtain a metabolome-level view of the effect of climate change on plants. In this review, we examine the plan...
Source: Metabolomics - October 16, 2015 Category: Biology Source Type: research

A tandem liquid chromatography–mass spectrometry (LC–MS) method for profiling small molecules in complex samples
In this study we describe a novel tandem in-line LC–MS method, in which compounds from one injection are sequentially separated in a single run on both ANP and RP LC-columns. This method is simple, robust, and enables the use of independent gradients customized for both RP and ANP columns. The MS signal is acquired in a single chromatogram which reduces instrument time and operator and data analysis errors. This method has been used to analyze a range of biological extracts, from plant and animal tissues, human serum and urine, microbial cell and culture supernatants. Optimized sample preparation protocols are descri...
Source: Metabolomics - October 16, 2015 Category: Biology Source Type: research

A rapid method for profiling of volatile and semi-volatile phytohormones using methyl chloroformate derivatisation and GC–MS
We describe the analysis of 11 metabolites, either plant phytohormones or intermediates of phytohormone metabolism; ABA, azelaic acid, IAA, JA and SA, and the phytohormone precursors 1-aminocyclopropane 1-carboxylic acid, benzoic acid, cinnamic acid, 13-epi-12-oxophytodienoic acid (13-epi-OPDA), linoleic acid and linolenic acid, and validate the isolation from foliar tissue of the model legume Medicago truncatula. The preparation is insensitive to the presence of water, facilitating measurement of the volatile metabolites. Quantitation was linear over four orders of magnitude, and the limits of detection between two and 10...
Source: Metabolomics - October 16, 2015 Category: Biology Source Type: research

Constrained randomization and multivariate effect projections improve information extraction and biomarker pattern discovery in metabolomics studies involving dependent samples
We present a combined approach for minimizing the influence of analytical drift on multivariate comparisons of matched or dependent samples in mass spectrometry based metabolomics studies. The approach is building on a randomization procedure for sample run order, constrained to independent randomizations between and within dependent sample pairs (e.g. pre/post intervention). This is followed by a novel multivariate statistical analysis strategy allowing paired or dependent analyses of individual effects named OPLS-effect projections (OPLS-EP). We show, using simulated data that OPLS-EP gives improved interpretation over e...
Source: Metabolomics - October 16, 2015 Category: Biology Source Type: research

Assessment of automated trimethylsilyl derivatization protocols for GC–MS-based untargeted metabolomic analysis of urine
Abstract Gas chromatography–mass spectrometry (GC–MS) is a commonly used metabolomic platform for the analysis of urine. A key step in the preparation of samples for GC–MS is derivatization, in particular, methoximation and trimethylsilylation. This paper presents an assessment of automated derivatization protocols for GC–MS-based untargeted metabolomic analysis of rat urine. Automated batch and in-time (a sample ready for injection every 70 min) derivatization protocols were tested using N,O-bis(trimethylsilyl)trifluoroacetamide and N-methyl-N(trimethylsilyl)trifluoroacetamide. Princ...
Source: Metabolomics - October 16, 2015 Category: Biology Source Type: research

LC–MS-based absolute metabolite quantification: application to metabolic flux measurement in trypanosomes
Abstract Human African trypanosomiasis is a neglected tropical disease caused by the protozoan parasite, Trypanosoma brucei. In the mammalian bloodstream, the trypanosome’s metabolism differs significantly from that of its host. For example, the parasite relies exclusively on glycolysis for energy source. Recently, computational and mathematical models of trypanosome metabolism have been generated to assist in understanding the parasite metabolism with the aim of facilitating drug development. Optimisation of these models requires quantitative information, including metabolite concentrations and/or metaboli...
Source: Metabolomics - October 16, 2015 Category: Biology Source Type: research

Fusion of the 1 H NMR data of serum, urine and exhaled breath condensate in order to discriminate chronic obstructive pulmonary disease and obstructive sleep apnea syndrome
Abstract Chronic obstructive pulmonary disease, COPD, affects the condition of the entire human organism and causes multiple comorbidities. Pathological lung changes lead to quantitative changes in the composition of the metabolites in different body fluids. The obstructive sleep apnea syndrome, OSAS, occurs in conjunction with chronic obstructive pulmonary disease in about 10–20 % of individuals who have COPD. Both conditions share the same comorbidities and this makes differentiating them difficult. The aim of this study was to investigate whether it is possible to diagnose a patient with either COPD...
Source: Metabolomics - October 16, 2015 Category: Biology Source Type: research

Metabolic responses induced by DNA damage and poly (ADP-ribose) polymerase (PARP) inhibition in MCF-7 cells
In this study, we used NMR metabolomics to identify metabolic pathways which are altered in response to different DNA damaging agents. By comparing the metabolic responses in MCF-7 cells, we identified the activation of poly (ADP-ribose) polymerase (PARP) in methyl methanesulfonate (MMS)-induced DNA damage. PARP activation led to a significant depletion of NAD+. PARP inhibition using veliparib (ABT-888) was able to successfully restore the NAD+ levels in MMS-treated cells. In addition, double strand break induction by MMS and veliparib exhibited similar metabolic responses as zeocin, suggesting an application of metabolomi...
Source: Metabolomics - October 16, 2015 Category: Biology Source Type: research

Plasma lipid biomarker signatures in squamous carcinoma and adenocarcinoma lung cancer patients
In conclusion, this study has identified candidate lipid biomarkers of non-small cell lung cancer patients which may be helpful to indicate the tumour subtype and to differentiate them from patients who do not have lung cancer. Measuring these biomarkers has the potential to improve diagnosis in patients with suspected lung cancer and risk stratification in screening. (Source: Metabolomics)
Source: Metabolomics - October 16, 2015 Category: Biology Source Type: research

A quantitative 1 H NMR approach for evaluating the metabolic response of Saccharomyces cerevisiae to mild heat stress
Abstract Effect of growth temperature on the yeast (Saccharomyces cerevisiae) metabolome has been analysed by one-dimensional proton NMR spectroscopy (1H NMR). Potential biomarkers have been first identified by a non-targeted chemometric evaluation of the spectra, followed by a comprehensive analysis of bayesian estimated concentrations of target metabolites in extracts of cells growth either at 30 or 37 °C. Tentative identification of metabolites whose concentrations were affected by this mild heat-shock stress was attempted by partial least squares-discriminant analysis (PLS-DA) on 1H NMR data, combine...
Source: Metabolomics - October 16, 2015 Category: Biology Source Type: research

Tomato fruit volatile profiles are highly dependent on sample processing and capturing methods
Abstract Volatile compounds are together with sugars and organic acids the main determinants of tomato fruit flavour and are therefore important for consumer acceptance. Consequently, in the last years many studies have been performed using different volatile analytical techniques on a large diversity of tomato fruits, aimed mainly at detecting the compounds affecting flavour or at the identification of QTLs and key genes involved in fruit volatile contents. The comparison of three of the analytical methods most commonly applied (headspace, solid phase microextraction, adsorption on Tenax followed by thermal deso...
Source: Metabolomics - October 16, 2015 Category: Biology Source Type: research

Inflammatory metabolites in exhaled breath condensate characterize the obese respiratory phenotype
In this study we aimed at verifying if NMR-based metabolomics of EBC, combined with orthogonal projections to latent structures-discriminant analysis, could possibly recognize specific biomarkers to map the obese metabolic respiratory phenotype. Obese and lean control subjects could be distinguished in a statistical model presenting high quality parameters (R2 = 0.904 and Q2 = 0.871). Identified airway metabolites linked to the inflammation processes demonstrate that obesity constitutes a specific inflammatory metabolic phenotype (metabotype). It is concluded that the noninvasive EBC matrix is suitable ...
Source: Metabolomics - October 16, 2015 Category: Biology Source Type: research

Matrix effect on chemical isotope labeling and its implication in metabolomic sample preparation for quantitative metabolomics
Abstract Matrix effect from various constituents in biological samples can reduce the accuracy of quantitative metabolomics. Differential chemical isotope labeling liquid chromatography mass spectrometry (MS) can overcome the matrix effect on MS detection based on measuring the intensity ratios of metabolite peak pairs detected in a mixture of a light-isotope labeled sample and a heavy-isotope labeled reference sample. However, the chemical labeling process itself may encounter matrix effect which can influence the overall quantitative results. In this work, we report the effects of salts and buffers commonly pre...
Source: Metabolomics - October 16, 2015 Category: Biology Source Type: research

Quantification of 1 H NMR spectra from human plasma
Abstract Human plasma is a biofluid that is high in information content, making it an excellent candidate for metabolomic studies. 1H NMR has been a popular technique to detect several dozen metabolites in blood plasma. In order for 1H NMR to become an automated, high-throughput method, challenges related to (1) the large signal from lipoproteins and (2) spectral overlap between different metabolites have to be addressed. Here diffusion-weighted 1H NMR is used to separate lipoprotein and metabolite signals based on their large difference in translational diffusion. The metabolite 1H NMR spectrum is then quantifie...
Source: Metabolomics - October 16, 2015 Category: Biology Source Type: research

Results of the 2015 elections to the board of directors
(Source: Metabolomics)
Source: Metabolomics - October 16, 2015 Category: Biology Source Type: research

Erratum to: COordination of Standards in MetabOlomicS (COSMOS): facilitating integrated metabolomics data access
(Source: Metabolomics)
Source: Metabolomics - October 16, 2015 Category: Biology Source Type: research

2015: an eventful year for the Metabolomics Society
(Source: Metabolomics)
Source: Metabolomics - October 6, 2015 Category: Biology Source Type: research

First insights into serum metabolomics of trenbolone/estradiol implanted bovines; screening model to predict hormone-treated and control animals’ status
Abstract The use of anabolic agents in livestock production is a subject of much concern. Although prohibited for more than 20 years within the EU, growth promoting practices are still widely suspected. To meet the current challenges for detecting illicit practices, ‘omics’ strategies have recently been demonstrated as important new investigative tools. These investigations, based on the observation of physiological disturbances, mainly in urine, demonstrated the possibility to monitor biomarkers enabling high throughput determination of animal status in terms of hormonal treatment. In this c...
Source: Metabolomics - September 5, 2015 Category: Biology Source Type: research

Diurnal effects of anoxia on the metabolome of the seagrass Zostera marina
Abstract We investigated the response, adaptation and tolerance mechanisms of the temperate seagrass Zostera marina to water column anoxia. We exposed Z. marina to a diurnal light/dark cycle under anoxia and assessed the metabolic response by measuring the metabolome with gas chromatography coupled to mass spectrometry (GC–MS). During anoxia and light exposure the roots showed an altered metabolome whereas the leaves were only marginally affected, indicating that photosynthetically derived oxygen could satisfy the oxygen demand in the leaves but not in the roots. Nocturnal anoxia caused a biphasic shift in ...
Source: Metabolomics - September 5, 2015 Category: Biology Source Type: research

Metabolomic analysis of urine samples of vivax malaria in-patients for biomarker identification
This study demonstrates the potential of urine metabolic profiling in understanding the pathophysiology of P. vivax infection and in non-invasive disease diagnosis. (Source: Metabolomics)
Source: Metabolomics - September 5, 2015 Category: Biology Source Type: research

β-Aminobutyric acid increases drought tolerance and reorganizes solute content and water homeostasis in flax ( Linum usitatissimum )
Abstract β-Aminobutyric acid (BABA) is a non-protein amino acid that induces drought tolerance in plants. The mechanisms involved in this tolerance are still poorly understood. In the present study, metabolomic and ionomic profiling performed in flax (Linum usitatissimum) leaves revealed that BABA induces a major reorganization in solute content. This reorganization resulted in increased accumulation of non-structural carbohydrates and proline and a decrease in inorganic solutes. This response has high similarities with that obtained when flax is exposed to an osmotic stress. BABA treatment also induced a de...
Source: Metabolomics - September 5, 2015 Category: Biology Source Type: research

Identification of putative biomarkers for prediabetes by metabolome analysis of rat models of type 2 diabetes
In this study, we performed a longitudinal study of changes in metabolites using an animal model of T2D, the spontaneously diabetic Torii (SDT) rat. Fasting plasma samples of SDT and control Sprague-Dawley (SD) rats were collected from 6 to 24 weeks of age, and subjected to gas chromatography–mass spectrometry-based metabolome analysis. Fifty-nine hydrophilic metabolites were detected in plasma samples, including amino acids, carbohydrates, sugars and organic acids. At 12 weeks of age, just before the onset of diabetes in SDT rats, the amounts of nine of these metabolites (asparagine, glutamine, glycerol, k...
Source: Metabolomics - September 5, 2015 Category: Biology Source Type: research

Forecasting individual breast cancer risk using plasma metabolomics and biocontours
Abstract Breast cancer is a major cause of death for women. To improve treatment, current oncology research focuses on discovering and validating new biomarkers for early detection of cancer; so far with limited success. Metabolic profiling of plasma samples and auxiliary lifestyle information was combined by chemometric data fusion. It was possible to create a biocontour, which we define as a complex pattern of relevant biological and phenotypic information. While single markers or known risk factors have close to no predictive value, the developed biocontour provides a forecast which, several years before diagn...
Source: Metabolomics - September 5, 2015 Category: Biology Source Type: research

Serially coupling hydrophobic interaction and reversed-phase chromatography with simultaneous gradients provides greater coverage of the metabolome
Abstract The serial coupling of a reversed-phase liquid chromatography (RPLC) column to a hydrophilic interaction liquid chromatography (HILIC) column has been developed in recent years for the detection of polar and nonpolar metabolites. TCA intermediates, bile acid standards and numerous polar and non-polar metabolites extracted from beer were analysed using a combined RPLC/HILIC method. Non-polar metabolites were retained by the RPLC column. Polar metabolites not retained by the RPLC column were retained and separated by the HILIC column. The results from this study validate this simple yet powerful metabo...
Source: Metabolomics - September 5, 2015 Category: Biology Source Type: research

Erratum to: A new strategy for MS/MS data acquisition applying multiple data dependent experiments on Orbitrap mass spectrometers in non-targeted metabolomic applications
(Source: Metabolomics)
Source: Metabolomics - September 5, 2015 Category: Biology Source Type: research

Impact of maternal obesity on the metabolic profiles of pregnant women and their offspring at birth
The objective of this study is to investigate the association of obesity with modifications in the metabolic profiles of pregnant women, and their new-borns. Based on the PELAGIE cohort (Brittany, France), a sample of 321 pregnant women was divided into three groups according to their body mass index (BMI) (normal, over-weight and obese). Nuclear magnetic resonance-based metabolomics analyses were performed on maternal urine and cord-blood samples. Partial least squares regression-discriminant analysis (PLS-DA), polytomous and logistic regressions were used to differentiate the metabolic profiles of the three BMI groups af...
Source: Metabolomics - August 28, 2015 Category: Biology Source Type: research

Hydrophilic interaction (HILIC) and reverse phase liquid chromatography (RPLC)–high resolution MS for characterizing lipids profile disruption in serum of anabolic implanted bovines
Abstract Glycerophospholipids have been highlighted as the major lipids class affected by trenbolone acetate/estradiol implant administration in bovines. Non-targeted hydrophilic interaction chromatography (HILIC) and reverse phase liquid chromatography (RPLC) coupled to high resolution mass spectrometry have been successfully applied for characterizing lipid profile disruption in serum of implanted bovines. HILIC data pointed towards significant decrease of C22 fatty acids in implanted animals, i.e., C22:3 (p 
Source: Metabolomics - August 20, 2015 Category: Biology Source Type: research

The human saliva metabolome
Abstract Saliva is a clear, watery biofluid produced by the salivary glands to protect and lubricate the oral cavity. While mostly composed of water (99 %), the chemical composition of saliva is known to change quite dramatically in response to a variety of different physiological states, stimuli, insults and stressors. Unfortunately, among the human biofluids typically used in medical testing (such as blood and urine), saliva is rarely used. Given that saliva is the most easily accessible and readily obtained biofluid, this is rather unfortunate. Part of the reluctance to use saliva in medical testing likely...
Source: Metabolomics - August 19, 2015 Category: Biology Source Type: research

Metabolomics continues to expand: highlights from the 2015 metabolomics conference
(Source: Metabolomics)
Source: Metabolomics - August 13, 2015 Category: Biology Source Type: research

Metabolomics society 2015 Metabolomics publication awards
(Source: Metabolomics)
Source: Metabolomics - August 13, 2015 Category: Biology Source Type: research

Metabolomic changes during cellular transformation monitored by metabolite–metabolite correlation analysis and correlated with gene expression
Abstract To investigate metabolic changes during cellular transformation, we used a 1H NMR based metabolite–metabolite correlation analysis (MMCA) method, which permits analysis of homeostatic mechanisms in cells at the steady state, in an inducible cell transformation model. Transcriptomic data were used to further explain the results. Transformed cells showed many more metabolite–metabolite correlations than control cells. Some had intuitively plausible explanations: a shift from glycolysis to amino acid oxidation after transformation was accompanied by a strongly positive correlation between glucose...
Source: Metabolomics - August 11, 2015 Category: Biology Source Type: research

The three glioma rat models C6, F98 and RG2 exhibit different metabolic profiles: in vivo 1 H MRS and ex vivo 1 H HRMAS combined with multivariate statistics
In conclusion, MRS-based OPLS-DA appears sensitive enough to correctly predict the classification of tumors and to investigate the relationship between the host brain metabolism and the grafted tumor. (Source: Metabolomics)
Source: Metabolomics - August 5, 2015 Category: Biology Source Type: research

Gender-specific pathway differences in the human serum metabolome
Abstract The susceptibility for various diseases as well as the response to treatments differ considerably between men and women. As a basis for a gender-specific personalized healthcare, an extensive characterization of the molecular differences between the two genders is required. In the present study, we conducted a large-scale metabolomics analysis of 507 metabolic markers measured in serum of 1756 participants from the German KORA F4 study (903 females and 853 males). One-third of the metabolites show significant differences between males and females. A pathway analysis revealed strong differences in steroid ...
Source: Metabolomics - August 4, 2015 Category: Biology Source Type: research