Intensive determination of storage condition effects on human plasma metabolomics
ConclusionA large volume of data regarding storage stability was obtained. These data are a contribution to the discovery of biomarker candidates without misselection based on unreliable values and to the establishment of suitable handling procedures for targeted biomarker quantification. (Source: Metabolomics)
Source: Metabolomics - September 30, 2016 Category: Biology Source Type: research

Identification of putative biomarkers for type 2 diabetes using metabolomics in the Korea Association REsource (KARE) cohort
AbstractIntroductionType 2 diabetes (T2D) is a multifactorial disease resulting from a complex interaction between environmental and genetic risk factors. Metabolomics provide a logical framework that reflects the functional endpoints of biological processes being triggered by genetic information and various external influences.ObjectivesIdentification of metabolite biomarkers can shed insight into etiological pathways and improve the prediction of disease risk. Here, we aimed to identify serum metabolites as putative biomarkers for T2D and their association with genetic variants in the Korean population.MethodsA targeted ...
Source: Metabolomics - September 28, 2016 Category: Biology Source Type: research

Loss of ncm 5 and mcm 5 wobble uridine side chains results in an altered metabolic profile
ConclusionOur results suggest that the presence of ncm5- and mcm5-side chains on wobble uridines in tRNA are important for metabolic homeostasis. (Source: Metabolomics)
Source: Metabolomics - September 27, 2016 Category: Biology Source Type: research

Chilling slows anaerobic metabolism to improve anoxia tolerance of insects
ConclusionsAnoxia tolerance was correlated survival improvements after cold anoxia were correlated with a reduction in anaerobic metabolism. (Source: Metabolomics)
Source: Metabolomics - September 27, 2016 Category: Biology Source Type: research

Metabolic risks at birth of neonates exposed in utero to HIV-antiretroviral therapy relative to unexposed neonates: an NMR metabolomics study of cord blood
ConclusionsThe metabolite profile for transitional neonatal hypoglycaemia indicated that HIV-ART did not compromise the exposed neonates to the energy stress of allostasis experienced at birth. Increased hypoxanthine and 3-hydroxybutyric acid indicates metabolic stress at birth in some of the newborns exposed to HIV-ART and raises a concern about unrecognized prolonged allostasis with potential neurological consequences for these infants. (Source: Metabolomics)
Source: Metabolomics - September 24, 2016 Category: Biology Source Type: research

Large-scale untargeted LC-MS metabolomics data correction using between-batch feature alignment and cluster-based within-batch signal intensity drift correction
ConclusionsThe developed procedures provide unbiased measures of improved data quality, with implications for improved data analysis. Although developed for LC-MS based metabolomics, these methods are generic and can be applied to other data suffering from similar limitations. (Source: Metabolomics)
Source: Metabolomics - September 22, 2016 Category: Biology Source Type: research

An LC –MS-based lipidomics approach for studying the impact of dietary eicosapentaenoic acid on modulating methylmercury toxicity in mice
ConclusionEPA may have protective effect against MeHg-induced toxicity due to the favorable modification of membrane phospholipid composition and inhibition of inflammatory factors. (Source: Metabolomics)
Source: Metabolomics - September 22, 2016 Category: Biology Source Type: research

Recent advances in human sweat metabolomics for lung cancer screening
ConclusionThe study has allowed obtaining a prediction model more robust than that obtained in the previous study from the authors. (Source: Metabolomics)
Source: Metabolomics - September 20, 2016 Category: Biology Source Type: research

Post-mortem changes in the metabolomic compositions of rabbit blood, aqueous and vitreous humors
ConclusionThe obtained results suggest that the ocular fluids AH and VH may have some advantages over blood serum for the search of potential biochemical markers for the PMI estimation. Among the compounds studied in the present work, hypoxanthine, choline and glycerol give the biggest promise as the potential PMI biomarkers. (Source: Metabolomics)
Source: Metabolomics - September 20, 2016 Category: Biology Source Type: research

Tartrate inhibition of prostatic acid phosphatase improves seminal fluid metabolite stability
ConclusionBased on these results we recommend as standard protocol for the collection of hSF samples, that 10  mM tartrate are added immediately to samples, followed by sample storage/handling at 277 K until clinical processing within 6 h to remove/inactivate enzymes and isolate metabolite supernatant and other cellular fractions. (Source: Metabolomics)
Source: Metabolomics - September 20, 2016 Category: Biology Source Type: research

A metabolomics approach to characterize phenotypes of metabolic transition from late pregnancy to early lactation in dairy cows
ConclusionAnalyzing longitudinal changes of the blood metabolome and identifying new biomarkers by this approach can help understanding the multifaceted metabolic adaptation of transition dairy cows. (Source: Metabolomics)
Source: Metabolomics - September 20, 2016 Category: Biology Source Type: research

Eigenvector metabolite analysis reveals dietary effects on the association among metabolite correlation patterns, gene expression, and phenotypes
ConclusionEvMA provides a simple method to identify correlations between metabolites, gene expression, and phenotypes, which can allow us to partition multivariate datasets into meaningful biological modules and identify under-studied metabolites and unannotated gene transcripts that may be central to important biological processes. This can be used to inform our understanding of the effect of environmental mechanisms underlying physiological states of interest. (Source: Metabolomics)
Source: Metabolomics - September 20, 2016 Category: Biology Source Type: research

Clinical relevance of glycerophospholipid, sphingomyelin and glutathione metabolism in the pathogenesis of pharyngolaryngeal cancer in smokers: the Korean Cancer Prevention Study-II
ConclusionThis prospective study showed the clinical relevance of dysregulated metabolism of glutathione, glycerophospholipids and sphingolipids to the pathogenesis of pharyngolaryngeal cancer among smokers. These data suggest that the dysregulation of these metabolic processes may be a key mechanism underlying pharyngolaryngeal cancer progression and development. (Source: Metabolomics)
Source: Metabolomics - September 20, 2016 Category: Biology Source Type: research

Coupling solid phase microextraction to complementary separation platforms for metabotyping of E. coli metabolome in response to natural antibacterial agents
ConclusionsThe combination of a sample preparation method capable of providing cleaner extracts coupled to different analytical platforms was successful in uncovering changes in metabolic pathways associated with lipids biodegradation, changes in the TCA cycle, amino acids, and enzyme inhibitors in response to antibacterial treatment. (Source: Metabolomics)
Source: Metabolomics - September 20, 2016 Category: Biology Source Type: research

Preconcentration of organic solutes in urine by bubble bursting
ConclusionOur results indicate the high versatility of bubble bursting as a simple pretreatment approach to enhance the chemical depth and sensitivity of urine analysis. The approach could be attractive for personalized medicine as well as for the diagnostics of renal disorders of different etiology (diabetic nephropathy, chronic renal failure, transplant-associated complications, oncological disorders).Graphical AbstractUrine desalting and preconcentration in bursting bubbles. (Source: Metabolomics)
Source: Metabolomics - September 20, 2016 Category: Biology Source Type: research

Automation of chemical assignment for identifying molecular formula of S-containing metabolites by combining metabolomics and chemoinformatics with 34 S labeling
ConclusionIn this study, we developed an automation platform for automatically identifying the presence of S-metabolites. We identified the molecular formula of known S-metabolites, which are accessible in free databases, together with that of unknown. This analytical method did not focus on identifying the structure of S-metabolites, but on the automatic identification of their molecular formula. (Source: Metabolomics)
Source: Metabolomics - September 20, 2016 Category: Biology Source Type: research

Erratum to: A causal network analysis in an observational study identifies metabolomics pathways influencing plasma triglyceride levels
(Source: Metabolomics)
Source: Metabolomics - September 20, 2016 Category: Biology Source Type: research

Erratum to: A batch correction method for liquid chromatography –mass spectrometry data that does not depend on quality control samples
(Source: Metabolomics)
Source: Metabolomics - September 20, 2016 Category: Biology Source Type: research

Removing the bottlenecks of cell culture metabolomics: fast normalization procedure, correlation of metabolites to cell number, and impact of the cell harvesting method
ConclusionWe offer a fast, robust, and validated normalization method for cell culture metabolomics samples and demonstrate the eligibility of the normalization of metabolomics data to the cell number. We show a cell line and metabolite-specific impact of the harvesting method on metabolite concentrations. (Source: Metabolomics)
Source: Metabolomics - September 15, 2016 Category: Biology Source Type: research

Metabolomics analysis of oil palm ( Elaeis guineensis ) leaf: evaluation of sample preparation steps using UHPLC –MS/MS
ConclusionSample preparation steps should be carefully performed in metabolomics studies, because metabolites will be extracted and identified based on transport and solvent of extraction conditions. In this study, we established a reliable analytical protocol, from sample preparation to data analyses, to prospect new metabolites in oil palm leaves. This protocol could be further applied to similar oil-bearing crops. (Source: Metabolomics)
Source: Metabolomics - September 15, 2016 Category: Biology Source Type: research

Prediction of intravenous busulfan clearance by endogenous plasma biomarkers using global pharmacometabolomics
ConclusionIV busulfan clearance was significantly correlated with the relative abundance of 21 ions, seven of which were included in a predictive model that accurately predicted IV busulfan clearance in the majority of the validation samples. These results reinforce the potential of pharmacometabolomics as a critical tool in personalized medicine, with the potential to improve the personalized dosing of drugs with a narrow therapeutic index such as busulfan. (Source: Metabolomics)
Source: Metabolomics - September 15, 2016 Category: Biology Source Type: research

Presence of arachidonoyl-carnitine is associated with adverse cardiometabolic responses in hypertensive patients treated with atenolol
ConclusionSerum level of C20:4 is a promising biomarker to predict adverse cardiometabolic responses including glucose and poor antihypertensive response to atenolol. (Source: Metabolomics)
Source: Metabolomics - September 15, 2016 Category: Biology Source Type: research

Metabolic changes of genetically engineered grapes ( Vitis vinifera L.) studied by 1 H-NMR, metabolite heatmaps and i PLS
ConclusionNMR together with chemometrics is able to identify specific metabolites that were up- or down regulated in the genetically engineered plants allowing highlighting alterations in the down-stream metabolic pathways due to the up-stream genetic modifications. (Source: Metabolomics)
Source: Metabolomics - September 15, 2016 Category: Biology Source Type: research

Metabolomics reveals dose effects of low-dose chronic exposure to uranium in rats: identification of candidate biomarkers in urine samples
ConclusionThese findings show promise for the elucidation of underlying radiotoxicologic mechanisms and the design of a diagnostic test to assess exposure in urine, in a dose range experimentally estimated to be above a threshold between 0.015 and 0.15  mg L−1. (Source: Metabolomics)
Source: Metabolomics - September 15, 2016 Category: Biology Source Type: research

NMR-based metabolic characterization of chicken tissues and biofluids: a model for avian research
ConclusionThis work constitutes a database for future NMR-based metabolomic investigations in relation to avian production and health. (Source: Metabolomics)
Source: Metabolomics - September 15, 2016 Category: Biology Source Type: research

The alpha-1A adrenergic receptor agonist A61603 reduces cardiac polyunsaturated fatty acid and endocannabinoid metabolites associated with inflammation in vivo
ConclusionGiven the well characterized roles of PUFAs and ECs in inflammatory pathways, these findings suggest a possible role for cardiac α1A-ARs in the regulation of inflammation and may offer novel insight into the mechanisms underlying the cardioprotective benefit of selective pharmacologic α1A activation. (Source: Metabolomics)
Source: Metabolomics - September 15, 2016 Category: Biology Source Type: research

Modelling the acid/base 1 H NMR chemical shift limits of metabolites in human urine
ConclusionThese data will be a valuable resource for1H NMR metabolite profiling experiments and for the development of automated metabolite alignment and identification algorithms for1H NMR spectra. (Source: Metabolomics)
Source: Metabolomics - September 15, 2016 Category: Biology Source Type: research

Serum metabolomics profile of type 2 diabetes mellitus in a Brazilian rural population
ConclusionOur data can be used to derive a better understanding of the causal relationship of the observed associations and help to prioritize diabetes-associated metabolites for further work. (Source: Metabolomics)
Source: Metabolomics - September 15, 2016 Category: Biology Source Type: research

Fortune telling: metabolic markers of plant performance
AbstractBackground In the last decade, metabolomics has emerged as a powerful diagnostic and predictive tool in many branches of science. Researchers in microbes, animal, food, medical and plant science have generated a large number of targeted or non-targeted metabolic profiles by using a vast array of analytical methods (GC –MS, LC–MS,1H-NMR ….). Comprehensive analysis of such profiles using adapted statistical methods and modeling has opened up the possibility of using single or combinations of metabolites as markers. Metabolic markers have been proposed as proxy, diagnostic or predictors of key trait...
Source: Metabolomics - September 15, 2016 Category: Biology Source Type: research

Does centrifugation matter? Centrifugal force and spinning time alter the plasma metabolome
ConclusionAlready minor differences in plasma centrifugation can significantly influence metabolomic patterns and potentially bias metabolomics studies. (Source: Metabolomics)
Source: Metabolomics - September 15, 2016 Category: Biology Source Type: research

Metabolomics enables precision medicine: “A White Paper, Community Perspective”
Conclusions:  Key scientific concepts and recommendations for precision medicineOur metabolomics community believes that inclusion of metabolomics data in precision medicine initiatives is timely and will provide an extremely valuable layer of data that compliments and informs other data obtained by these important initiatives. Our Metabolomics Society, through its “Precision Medicine and Pharmacometabolomics Task Group”, with input from our metabolomics community at large, has developed this White Paper where we discuss the value and approaches for including metabolomics data in large precision medicine i...
Source: Metabolomics - September 2, 2016 Category: Biology Source Type: research

The metabolome 18 years on: a concept comes of age
AbstractBackgroundThe term ‘metabolome’ was introduced to the scientific literature in September 1998.Aim and key scientific concepts of the reviewTo mark its 18-year-old ‘coming of age’, two of the co-authors of that paper review the genesis of metabolomics, whence it has come and where it may be going. (Source: Metabolomics)
Source: Metabolomics - September 2, 2016 Category: Biology Source Type: research

Effect of experimental gingivitis induction and erythritol on the salivary metabolome and functional biochemistry of systemically healthy young adults
ConclusionsThe findings underline a dynamic interaction between the host and the oral microbial biofilm during an experimental induction of gingivitis. (Source: Metabolomics)
Source: Metabolomics - August 18, 2016 Category: Biology Source Type: research

Monitoring cancer prognosis, diagnosis and treatment efficacy using metabolomics and lipidomics
ConclusionMetabolomics and lipidomics can be used to identify biomarkers associated with cancer and to better understand anticancer therapies. (Source: Metabolomics)
Source: Metabolomics - August 16, 2016 Category: Biology Source Type: research

A metabolomics guided exploration of marine natural product chemical space
ConclusionMolecular networking guided exploration of large culture collections allows for rapid dereplication of know molecules and can highlight producers of uniques  metabolites. These methods, together with large culture collections and growing databases, allow for data driven strain prioritization with a focus on novel chemistries. (Source: Metabolomics)
Source: Metabolomics - August 9, 2016 Category: Biology Source Type: research

Discovery of A-type procyanidin dimers in yellow raspberries by untargeted metabolomics and correlation based data analysis
ConclusionsIn berries lacking anthocyanins the polyphenol metabolism might be shifted to the formation of a novel class of A-type procyanidin polymers. (Source: Metabolomics)
Source: Metabolomics - August 8, 2016 Category: Biology Source Type: research

Inaccurate quantitation of palmitate in metabolomics and isotope tracer studies due to plastics
ConclusionWhen measuring palmitate standard solutions, the best results were obtained when glass vials and glass pipettes were used. However, much of the palmitate background signal could be eliminated by pre-rinsing plastic vials and plastic pipette tips with methanol prior to sample introduction. For isotope tracer studies, error could also be minimized by estimating palmitate enrichment from palmitoylcarnitine, which does not have a competing contamination signal from plastic consumables. (Source: Metabolomics)
Source: Metabolomics - August 8, 2016 Category: Biology Source Type: research

Integrated proteomics and metabolomics to unlock global and clonal responses of Eucalyptus globulus recovery from water deficit
ConclusionThis study provides a set of novel proteins and pathways involved in drought stress that represent potential drought tolerance markers for early selection ofEucalyptus. (Source: Metabolomics)
Source: Metabolomics - August 4, 2016 Category: Biology Source Type: research

Transient decrease of hepatic NAD + and amino acid alterations during treatment with  valproate: new insights on drug-induced effects in vivo using targeted MS-based metabolomics
ConclusionThe observed accumulation of kynurenine intermediates in rat liver tissue suggests a drug-induced interference with the de novo pathway of NAD+ biosynthesis. These findings provide novel insights into the mechanisms of VPA associated hepatocellular dysfunction and/or toxicity, but with possible major relevance to the anticancer effects of the drug. (Source: Metabolomics)
Source: Metabolomics - August 4, 2016 Category: Biology Source Type: research

Comparative gonad protein and metabolite responses to a binary mixture of 2,4 ′-DDT and benzo(a)pyrene in the female green mussel Perna viridis
ConclusionOur results provide an insight into the metabolic responses of musselP.viridis exposed to either BaP, 2,4 ′-DDT or their mixture and characterize some potential biomarkers that were identified by a combined metabolomic and proteomic approach. (Source: Metabolomics)
Source: Metabolomics - August 2, 2016 Category: Biology Source Type: research

Erratum to: Urinary antihypertensive drug metabolite screening using molecular networking coupled to high-resolution mass spectrometry fragmentation
(Source: Metabolomics)
Source: Metabolomics - July 30, 2016 Category: Biology Source Type: research

Untargeted metabolomics approach using UPLC-ESI-QTOF-MS to explore the metabolome of fresh-cut iceberg lettuce
Conclusion The untargeted metabolomics analysis is a powerful tool for characterizing the changes on lettuce metabolome associated with cultivar and especially with storage time. Some families of compounds affected by storage time were reported to be closely related to quality loss. (Source: Metabolomics)
Source: Metabolomics - July 29, 2016 Category: Biology Source Type: research

Integration of targeted metabolomics and transcriptomics identifies deregulation of phosphatidylcholine metabolism in Huntington ’s disease peripheral blood samples
Conclusion Our results support the notion that phosphatidylcholine metabolism is deregulated in HD blood and that these metabolite alterations are associated with specific gene expression changes. (Source: Metabolomics)
Source: Metabolomics - July 27, 2016 Category: Biology Source Type: research

Plasma lipidomic profiling in patients with rheumatoid arthritis
Conclusion This study has identified lipid alterations in RA. These alterations of lipids warrant further investigation as they may be associated with accelerated atherosclerosis and joint inflammation in patient with RA. (Source: Metabolomics)
Source: Metabolomics - July 27, 2016 Category: Biology Source Type: research

Lung injury-induced skeletal muscle wasting in aged mice is linked to alterations in long chain fatty acid metabolism
Conclusion This study demonstrates age-associated susceptibility to ALI-induced muscle wasting which parallels a metabolomic profile suggestive of altered muscle fatty acid metabolism. MuRF1 activation may contribute to both atrophy and impaired fatty acid oxidation, which may synergistically impair muscle function in old ALI mice. (Source: Metabolomics)
Source: Metabolomics - July 26, 2016 Category: Biology Source Type: research

Urine-based metabolomic analysis of patients with Clostridium difficile infection: a pilot study
Conclusions Using small groups in a preliminary study, we have demonstrated that urine metabolomics has the potential to distinguish between healthy controls and patients with CDI. Furthermore, it could discriminate between patients experiencing different frequencies of recurrent CDI. If validated in larger cohorts, urine metabolomics has potential at identifying patients who are at risk for recurrent CDI. The significance of choline-deficient microbiota in CDI patients should be further examined. (Source: Metabolomics)
Source: Metabolomics - July 26, 2016 Category: Biology Source Type: research

Biosynthesis of glycerol phosphate is associated with long-term potentiation in hippocampal neurons
Conclusions We identified the biosynthesis of glycerol-3-phosphate as a key regulator in mechanisms implicated in learning and memory. Notably, defects in enzymes linked with the glycerol phosphate shuttle have been implicated in neurological disorders and intellectual disability . These results could improve our understanding of the general mechanisms of learning and memory and facilitate the development of novel therapies for metabolic disorders linked with intellectual disability. (Source: Metabolomics)
Source: Metabolomics - July 23, 2016 Category: Biology Source Type: research

Comparative metabolomics of the interaction between rice and the brown planthopper
Conclusion Metabolomics study is valuable in understanding the complex and multifaceted interaction between plants and insect herbivores and provide essential clue for development of novel control BPH strategies. (Source: Metabolomics)
Source: Metabolomics - July 22, 2016 Category: Biology Source Type: research

Normal pregnancy-induced amino acid metabolic stress in a longitudinal cohort of pregnant women: novel insights generated from UPLC-QTOFMS-based urine metabolomic study
Conclusion This normal pregnancy related amino acid metabolic profile as well as the pathways information might be valuable to explore the complex mechanisms of physiological metabolic challenge in amino acid metabolism with the potential capacity to generate a novel hypothesis, which in turn could provide an ideal start for a large-scale epidemiological study of women who subsequently develop diseases, e.g., gestational depression. (Source: Metabolomics)
Source: Metabolomics - July 18, 2016 Category: Biology Source Type: research

Comprehensive 1 H NMR metabolic profiling of body fluids for differentiation of meningitis in adults
Conclusion The CSF contained metabolites which are formed during infection and inflammation, and these were also found in significant quantity in serum and urine samples. (Source: Metabolomics)
Source: Metabolomics - July 14, 2016 Category: Biology Source Type: research