Oxylipin profiling of human plasma reflects the renal dysfunction in uremic patients
ConclusionThe alterations in plasma metabolic profile reflect the renal dysfunction in the uremic patients. (Source: Metabolomics)
Source: Metabolomics - August 1, 2018 Category: Biology Source Type: research

The fate of linoleic acid on Saccharomyces cerevisiae metabolism under aerobic and anaerobic conditions
ConclusionOur data clearly shows that linoleic acid supplementation in growth medium increased glucose consumption and ethanol production byS. cerevisiae under anaerobic condition. We also suggest thatS. cerevisiae might be able to perform an alternative anaerobic pathway to β-oxidation, which has not been reported yet. (Source: Metabolomics)
Source: Metabolomics - July 24, 2018 Category: Biology Source Type: research

Diagnosis of Clostridium difficile infection using an UPLC –MS based metabolomics method
ConclusionsCompared with other hospital-onset diarrhea, CD diarrhea has distinct fecal metabolome characteristics. Our UPLC –MS metabolomics model might be useful tool for diagnosing CD diarrhea. (Source: Metabolomics)
Source: Metabolomics - July 19, 2018 Category: Biology Source Type: research

Illuminating the dark metabolome to advance the molecular characterisation of biological systems
AbstractBackgroundThe latest version of the Human Metabolome Database (v4.0) lists 114,100 individual entries. Typically, however, metabolomics studies identify only around 100 compounds and many features identified in mass spectra are listed only as ‘unknown compounds’. The lack of ability to detect all metabolites present, and fully identify all metabolites detected (the dark metabolome) means that, despite the great contribution of metabolomics to a range of areas in the last decade, a significant amount of useful information from publ ically funded studies is being lost or unused each year. T...
Source: Metabolomics - July 19, 2018 Category: Biology Source Type: research

Quantitative metabolomics comparison of traditional blood draws and TAP capillary blood collection
ConclusionThough further more extensive studies will be mandatory, this pilot suggests that TAP-derived blood may be a logistically-friendly source of blood for large scale metabolomics studies —especially those addressing amino acids, glycemia and lactatemia as well as bile acids, acyl-carnitine levels. (Source: Metabolomics)
Source: Metabolomics - July 12, 2018 Category: Biology Source Type: research

Production system influences volatile biomarkers in tomato
This study is the first report comparing volatiles in tomatoes grown in high-tunnel and open-field conditions, and our results confirmed that there is a critical need to adopt biomarker-specific production systems to i mprove the nutritional and organoleptic properties of tomatoes. (Source: Metabolomics)
Source: Metabolomics - July 11, 2018 Category: Biology Source Type: research

An LC –MS-based lipidomics pre-processing framework underpins rapid hypothesis generation towards CHO systems biotechnology
ConclusionWe describe a systematic LC –MS-based framework that identifies lipids for rapid hypothesis generation. (Source: Metabolomics)
Source: Metabolomics - July 9, 2018 Category: Biology Source Type: research

Serum metabolomic profiles associated with postmenopausal hormone use
AbstractIntroductionPostmenopausal hormone use is linked to several health outcomes and the risk associated with some may differ depending on whether estrogen is used alone or in combination with progestin.ObjectiveMetabolomic analyses of postmenopausal hormone use and differences between hormone regimes was done to identify metabolites associated with each type of hormone treatment.MethodsUntargeted metabolomics analysis was done on serum from 1336 women enrolled in the Cancer Prevention II Nutrition Cohort. Levels of 781 named metabolites were compared between 667 nonusers with 332 estrogen-only and with 337 estrogen plu...
Source: Metabolomics - July 6, 2018 Category: Biology Source Type: research

Response to dietary carbohydrates in European seabass ( Dicentrarchus labrax ) muscle tissue as revealed by NMR-based metabolomics
ConclusionsDue to differential sample processing, outputs differ in detail but provide complementary information. After tracing nutritional alterations by profiling fillet components, DS seems to be the most promising alternative to fishmeal-based diets in aquaculture. This approach should be reproducible for other farmed fish species and provide valuable information on nutritional and organoleptic properties of the final product. (Source: Metabolomics)
Source: Metabolomics - July 4, 2018 Category: Biology Source Type: research

Metabolic footprint analysis of metabolites that discriminate single and mixed yeast cultures at two key time-points during mixed culture alcoholic fermentations
ConclusionsThis work provides a detailed insight into yeast metabolites that differ between single and mixed cultures, and these data may be used for understanding and eventually predicting yeast metabolic changes in wine fermentations. (Source: Metabolomics)
Source: Metabolomics - July 4, 2018 Category: Biology Source Type: research

Metabolite and gene expression profiles suggest a putative mechanism through which high dietary carbohydrates reduce the content of hepatic betaine in Megalobrama amblycephala
ConclusionWe hypothesise that HCD reduced the content of hepatic betaine by enhancing the activity of metabolic pathways from glucose to homocysteine, reflected in increased glycolysis, serine metabolism, cystathionine metabolism and homocysteine remethylation. Long-term dietary betaine supplementation improved the negative impacts of HCD, inculding growth parameters, body composition, liver condition, and betaine metabolism. However, betaine supplementation may have caused a temporary disruption in the metabolic homeostasis. (Source: Metabolomics)
Source: Metabolomics - July 4, 2018 Category: Biology Source Type: research

Identifying metabolic elements that contribute to productivity of 1-propanol bioproduction using metabolomic analysis
ConclusionIn the presence of both pathways, increased glucose consumption and elevated levels of glycolytic intermediates are attributed to an elevated phosphoenolpyruvate (PEP)/pyruvate ratio that is known to increase the function of the native phosphotransferase. Turnover analysis of nitrogen containing byproducts reveals that ammonia assimilation, required for the threonine pathway, is streamlined when provided with an NAD(P)H surplus in the presence of the citramalate pathway. Our study illustrates the application of metabolomics in identification of factors that alter cellular physiology for improvement of 1-propanol ...
Source: Metabolomics - July 4, 2018 Category: Biology Source Type: research

Glycosphingolipids promote pro-atherogenic pathways in the pathogenesis of hyperglycemia-induced accelerated atherosclerosis
AbstractIntroductionThree out of four people with diabetes will die of cardiovascular disease. However, the molecular mechanisms by which hyperglycemia promotes atherosclerosis, the major underlying cause of cardiovascular disease, are not clear.ObjectivesThree distinct models of hyperglycemia-associated accelerated atherosclerosis were used to identify commonly altered metabolites and pathways associated with the disease.MethodsNormoglycemic apolipoprotein-E-deficient mice served as atherosclerotic control. Hyperglycemia was induced by multiple low-dose streptozotocin injections, or by introducing a point-mutation in one ...
Source: Metabolomics - July 3, 2018 Category: Biology Source Type: research

Metabolomics reveals immunomodulation as a possible mechanism for the antibiotic effect of Persicaria capitata (Buch.-Ham. ex D. Don) H.Gross
ConclusionOur findings suggest that this herbal medicine can cure urinary tract infection through modulation of immune system. (Source: Metabolomics)
Source: Metabolomics - June 26, 2018 Category: Biology Source Type: research

Non-invasive urinary metabolomic profiles discriminate biliary atresia from infantile hepatitis syndrome
ConclusionsBA and IHS infants have specific urinary metabolomic profiles. The results of our study underscore the clinical potential of metabolomic profiling to uncover metabolic changes that could be used to discriminate BA from IHS. (Source: Metabolomics)
Source: Metabolomics - June 21, 2018 Category: Biology Source Type: research

Plasma glutamine and glutamic acid are potential biomarkers for predicting diabetic retinopathy
ConclusionOur results imply that plasma glutamine, glutamic acid, and their ratio may be valuable as novel biomarkers for anticipating DR in T2D subjects. (Source: Metabolomics)
Source: Metabolomics - June 21, 2018 Category: Biology Source Type: research

NMR-based metabolomics studies of human prostate cancer tissue
ConclusionThe study of the metabolic alterations associated with PCa progression, accomplished by the analysis of PCa tissue by NMR, offers a promising approach for elucidating biochemical pathways affected by PCa and also for discovering new clinical biomarkers. The main metabolomic alterations associated with PCa development and promising biomarker metabolites for diagnosis of PCa were outlined. (Source: Metabolomics)
Source: Metabolomics - June 18, 2018 Category: Biology Source Type: research

Correction to: Pharmacometabolomics applied to zonisamide pharmacokinetic parameter prediction
The original version of this article contains a mistake. (Source: Metabolomics)
Source: Metabolomics - June 14, 2018 Category: Biology Source Type: research

Metabolomic analysis of pollen from honey bee hives and from canola flowers
AbstractBackground and aimsPollen is essential for successful plant reproduction and critical for plant-pollinator mutualisms, as pollen is  essential larval nutrition. However, we understand very little about the chemical constituents of pollen leading us to this exploratory study characterizing plant and beehive pollen.MethodsWe performed a metabolomics assay of canola flower pollen and beehive pollen.Results and discussionThe metabolome of canola pollen is affected by irrigation showing differences in lipids and non-polar secondary metabolites. Metabolome of beehive pollen is affected by plant source showing d...
Source: Metabolomics - June 12, 2018 Category: Biology Source Type: research

Urine metabolites are associated with glomerular lesions in type 2 diabetes
We examined the relationship between 12 urine metabolites and kidney structure in American Indians with type 2 diabetes.MethodsData were from a 6-year clinical trial that assessed renoprotective efficacy of losartan, and included a kidney biopsy at the end of the treatment period. Metabolites were measured in urine samples collected within a median of 6.5  months before the research biopsy. Associations of the creatinine-adjusted urine metabolites with kidney structural variables were examined by Pearson’s correlations and multivariable linear regression after adjustment for age, sex, diabetes duration, hemoglob...
Source: Metabolomics - June 8, 2018 Category: Biology Source Type: research

Analysis of metabolites and metabolic pathways in breast cancer in a Korean prospective cohort: the Korean Cancer Prevention Study-II
ConclusionsThis prospective study showed the clinical relevance of dysregulation of various metabolisms on the incidence of BC. Additionally, leucine, AA, PGJ2, PGE2, and GLA were identified as independent variables affecting the incidence of BC. (Source: Metabolomics)
Source: Metabolomics - June 8, 2018 Category: Biology Source Type: research

Urine metabolic fingerprinting can be used to predict the risk of metritis and highlight the pathobiology of the disease in dairy cows
AbstractIntroductionMetritis is an uterine pathology that causes economic losses for the dairy industry. It is associated with lower reproductive efficiency, increased culling rates, decreased milk production and increased veterinary costs.ObjectivesTo gain a more detailed view of the urine metabolome and to detect metabolite signature in cows with metritis. In addition, we aimed to identify early metabolites which can help to detect cows at risk to develop metritis in the future.MethodsWe used nuclear magnetic resonance spectroscopy starting at 8 and 4 weeks prior to the expected day of parturition, during the week of dia...
Source: Metabolomics - June 8, 2018 Category: Biology Source Type: research

Citrate usage in the leading causes of blindness: new possibilities for the old metabolite
ConclusionsCitrate might help inhibit cataract progression, in case of questions confirm glaucoma diagnosis or improve cornea repair treatment as adjuvant agent (therapy of ulcerating cornea after alkali injury, crosslinking procedure). However, the knowledge about possible citrate usage in ophthalmology is not widely known. Promoting recent scientific knowledge about citrate usage in ophthalmology may not only benefit of medical improvement but may also limit economic costs caused by leading causes of blindness. Further studies on citrate usage in ophthalmology should continuously be the field of scientific interest. (Source: Metabolomics)
Source: Metabolomics - June 5, 2018 Category: Biology Source Type: research

A review of metabolism-associated biomarkers in lung cancer diagnosis and treatment
ConclusionWe conclude that with technological advancement, metabolomics may be able to replace more invasive and costly diagnostic procedures while also providing the means to more effectively tailor treatment to patient-specific tumors. (Source: Metabolomics)
Source: Metabolomics - June 1, 2018 Category: Biology Source Type: research

Unbiased lipidomic profiling reveals metabolomic changes during the onset and antipsychotics treatment of schizophrenia disease
ConclusionsThe work presented here have revealed several new lipid species which are significantly dysregulated in SCH disease development or antipsychotics treatment. These lipids provide new evidence for the pathological studies of SCH and new antipsychotics development, or can be considered as potentially candidate biomarkers for further validation. (Source: Metabolomics)
Source: Metabolomics - June 1, 2018 Category: Biology Source Type: research

Metabolomic profiling of maternal hair suggests rapid development of intrahepatic cholestasis of pregnancy
ConclusionHair samples represent accumulative environmental exposure over time. Samples collected at the onset of ICP did not reveal any metabolic shifts, suggesting rapid development of the disease. (Source: Metabolomics)
Source: Metabolomics - May 26, 2018 Category: Biology Source Type: research

Arachidonic acid as a target for treating hypertriglyceridemia reproduced by  a causal network analysis and an intervention study
(Source: Metabolomics)
Source: Metabolomics - May 26, 2018 Category: Biology Source Type: research

Optimized GC –MS metabolomics for the analysis of kidney tissue metabolites
ConclusionThis investigation provides insights into selection of extraction solvents for detection of classes of metabolites in renal cortex and medulla, which is fundamentally important for identification of prognostic and diagnostic metabolic kidney biomarkers for future therapeutic applications. (Source: Metabolomics)
Source: Metabolomics - May 25, 2018 Category: Biology Source Type: research

A metabolomics-based approach for non-invasive screening of fetal central nervous system anomalies
ConclusionThe metabolomic signature of second trimester maternal serum from pregnancies affected by a fetal central nervous system anomaly is quantifiably different from that of a normal pregnancy. Maternal serum metabolomics is therefore a promising tool for the accurate and sensitive screening of such congenital defects. Moreover, the details of the most relevant metabolites and their respective biochemical pathways allow better understanding of the overall pathophysiology of affected pregnancies. (Source: Metabolomics)
Source: Metabolomics - May 25, 2018 Category: Biology Source Type: research

A targeted metabolomic procedure for amino acid analysis in different biological specimens by ultra-high-performance liquid chromatography –tandem mass spectrometry
ConclusionWe report a modified UPLC-MS/MS procedure for the analysis of 42 amino acids and related compounds in different specimens. The method is fast, sensitive and robust, and it has been validated to be an alternative to the traditional IEC procedure as the routine method used in metabolic laboratories. The method greatly decreases the run time of the analysis while displaying good metrological results. (Source: Metabolomics)
Source: Metabolomics - May 25, 2018 Category: Biology Source Type: research

Group-wise ANOVA simultaneous component analysis for designed omics experiments
ConclusionsGASCA is applicable to any kind ofomics data obtained through designed experiments such as, but not limited to, metabolomic, proteomic and gene expression data. (Source: Metabolomics)
Source: Metabolomics - May 21, 2018 Category: Biology Source Type: research

Miniaturized 1 H-NMR method for analyzing limited-quantity samples applied to a mouse model of Leigh disease
ConclusionWe demonstrate method equivalency, supporting our novel miniaturized1H-NMR method as a financially feasible alternative to cryoprobe technology —for limited-quantity biological samples in metabolomics studies that requires a volume one-tenth of the SOP. (Source: Metabolomics)
Source: Metabolomics - May 21, 2018 Category: Biology Source Type: research

Guidelines and considerations for the use of system suitability and quality control samples in mass spectrometry assays applied in untargeted clinical metabolomic studies
AbstractBackgroundQuality assurance (QA) and quality control (QC) are two quality management processes that are integral to the success of metabolomics including their application for the acquisition of high quality data in any high-throughput analytical chemistry laboratory. QA defines all the planned and systematic activities implemented before samples are collected, to provide confidence that a subsequent analytical process will fulfil predetermined requirements for quality. QC can be defined as the operational techniques and activities used to measure and report these quality requirements after data acquisition.Aim of ...
Source: Metabolomics - May 18, 2018 Category: Biology Source Type: research

Pathway-specific metabolome analysis with 18 O 2 -labeled Medicago truncatula via a mass spectrometry-based approach
ConclusionOur finding indicated that18O2 labeling was effective not only for the mining of unknown metabolites which were biosynthesized by oxygenase-related pathway but also for the identification of metabolites whose oxygen atoms were derived from oxygenase activity. (Source: Metabolomics)
Source: Metabolomics - May 11, 2018 Category: Biology Source Type: research

Pharmacometabolomics applied to zonisamide pharmacokinetic parameter prediction
ConclusionTo our knowledge, this is the only research study to date that has attempted to link basal metabolomic status with pharmacokinetic parameters of zonisamide. (Source: Metabolomics)
Source: Metabolomics - May 9, 2018 Category: Biology Source Type: research

Determination of fatty acid and sphingoid base composition of eleven ceramide subclasses in stratum corneum by UHPLC/scheduled-MRM
ConclusionThe method will be useful for the analysis of healthy and pathological skin in various specie, and the measurement of the relative distribution of ceramides as biomarkers for pharmacodynamic studies. (Source: Metabolomics)
Source: Metabolomics - May 9, 2018 Category: Biology Source Type: research

GC –MS analysis of the ruminal metabolome response to thiamine supplementation during high grain feeding in dairy cows
ConclusionsThese findings revealed that thiamine supplementation could attenuate high-concentrate diet induced SARA by increasing pyruvate formate-lyase activity to promote pyruvate to generate acetyl-CoA and inhibit lactate generation. Besides, thiamine reduced biogenic amines to alleviate ruminal epithelial inflammatory response. (Source: Metabolomics)
Source: Metabolomics - May 8, 2018 Category: Biology Source Type: research

TarMet: a reactive GUI tool for efficient and confident quantification of MS based targeted metabolic and stable isotope tracer analysis
ConclusionTarMet is a better tool for targeted metabolic and stable isotope tracer analyses. (Source: Metabolomics)
Source: Metabolomics - May 8, 2018 Category: Biology Source Type: research

TD/GC –MS analysis of volatile markers emitted from mono- and co-cultures of Enterobacter cloacae and Pseudomonas aeruginosa in artificial sputum
ConclusionThe observed VOCs were able to differentiate axenic and co-cultures. Validation of these markers in exhaled breath specimens could prove useful for timely pathogen identification and infection type diagnosis. (Source: Metabolomics)
Source: Metabolomics - April 26, 2018 Category: Biology Source Type: research

Predicting ovarian cancer recurrence by plasma metabolic profiles before and after surgery
ConclusionPlasma metabolomic analysis could be used to predict EOC recurrence. While post-operative biomarkers have a predictive advantage over pre-operative biomarkers, combining pre- and post-operative biomarkers showed the best predictive performance and has great potential for predicting recurrent EOC. (Source: Metabolomics)
Source: Metabolomics - April 26, 2018 Category: Biology Source Type: research

A Python library for FAIRer access and deposition to the Metabolomics Workbench Data Repository
ConclusionsThe ‘mwtab’ package is an easy-to-use Python package that provides FAIRer utilization of the Metabolomics Workbench Data Repository. The source code is freely available on GitHub and via the Python Package Index. Documentation includes a ‘User Guide’, ‘Tutorial’, and ‘API Reference’. The GitHub repository also provides ‘mwtab’ package unit-tests via a continuous integration service. (Source: Metabolomics)
Source: Metabolomics - April 20, 2018 Category: Biology Source Type: research

High-mass-resolution MALDI mass spectrometry imaging reveals detailed spatial distribution of metabolites and lipids in roots of barley seedlings in response to salinity stress
ConclusionOur results established the suitability of combining three mass spectrometry platforms to analyze and map ionic and metabolic responses to salinity stress in plant roots and to elucidate tolerance mechanisms in response to abiotic stress, such as salinity stress. (Source: Metabolomics)
Source: Metabolomics - April 19, 2018 Category: Biology Source Type: research

A multidimensional 1 H NMR lipidomics workflow to address chemical food safety issues
ConclusionThis work demonstrates the potential of fast multidimensional1H NMR —suited with an appropriate sample preparation—for lipidomics fingerprinting as well as its applicability to address chemical food safety issues. (Source: Metabolomics)
Source: Metabolomics - April 17, 2018 Category: Biology Source Type: research

Volatile metabolomic signature of bladder cancer cell lines based on gas chromatography –mass spectrometry
ConclusionsWe demonstrate that a GC –MS metabolomics-based approach for analysis of VOCs is a valuable strategy for identifying new and specific biomarkers that may improve BC diagnosis. Future studies should entail the validation of volatile signature found for BC cell lines in biofluids from BC patients. (Source: Metabolomics)
Source: Metabolomics - April 17, 2018 Category: Biology Source Type: research

Serum metabolomics using ultra performance liquid chromatography coupled to mass spectrometry in lactating dairy cows following a single dose of sporidesmin
ConclusionsIt is well known that BA concentrations increase during cholestasis due to damage to bile ducts and leakage of the bile. This is the first study to investigate metabolomic changes in serum following a sporidesmin challenge. Further work to establish the significance of the elevation of individual BAs concentrations in the serum of early-stage sporidesmin-poisoned cows is necessary. (Source: Metabolomics)
Source: Metabolomics - April 17, 2018 Category: Biology Source Type: research

Metabolic profiling of isolated mitochondria and cytoplasm reveals compartment-specific metabolic responses
ConclusionBy applying metabolomics to isolated mitochondria and the corresponding cytoplasm, compartment-specific metabolic signatures can be identified. This subcellular metabolomics analysis is a powerful tool to study the molecular mechanism of compartment-specific metabolic homeostasis in response to mutations affecting the mitochondrial metabolism. (Source: Metabolomics)
Source: Metabolomics - March 31, 2018 Category: Biology Source Type: research

Neuronal network analyses reveal novel associations between volatile organic compounds and sensory properties of tomato fruits
ConclusionThe results showed a strong preference by panelists for tomatoes of landraces than for commercial varieties and wild species. The predictive analysis by omeSOM showed 15 VOCs significantly associated to the typical and atypical tomato odour and taste. Moreover, omeSOM was used to predict the relationship of VOC ratios with sensory data. A total of 108 VOC ratios out of 8837 VOC ratios were predicted to be contributing to the typical and atypical tomato odour and taste. The metabolic origin of these flavor-associated VOCs and the metabolic point or target for breeding strategies were discussed. (Source: Metabolomics)
Source: Metabolomics - March 31, 2018 Category: Biology Source Type: research

NEWS: the 2018 Metabolomics publication awards
(Source: Metabolomics)
Source: Metabolomics - March 31, 2018 Category: Biology Source Type: research

Bayesian estimation of the number of protonation sites for urinary metabolites from NMR spectroscopic data
ConclusionsGiven appropriate data, it is possible to estimate the number of protonation sites for many metabolites typically observed in\(^1\)H NMR metabolomics without knowledge of the molecular structure. This approach may be a valuable resource for the development of future automated metabolite alignment, annotation and peak fitting algorithms. (Source: Metabolomics)
Source: Metabolomics - March 26, 2018 Category: Biology Source Type: research

NMR metabolomics of fibroblasts with inherited mitochondrial Complex I mutation reveals treatment-reversible lipid and amino acid metabolism alterations
AbstractIntroductionElucidating molecular alterations due to mitochondrial Complex I (CI) mutations may help to understand CI deficiency (CID), not only in mitochondriopathies but also as it is caused by drugs or associated to many diseases.ObjectivesCID metabolic expression was investigated in Leber ’s hereditary optic neuropathy (LHON) caused by an inherited mutation of CI.MethodsNMR-based metabolomics analysis was performed in intact skin fibroblasts from LHON patients. It used several datasets: one-dimensional1H-NMR spectra, two-dimensional1H-NMR spectra and quantified metabolites. Spectra were analysed using ort...
Source: Metabolomics - March 22, 2018 Category: Biology Source Type: research