Metabolomic identification of novel diagnostic biomarkers in ectopic pregnancy
AbstractIntroductionEctopic pregnancy (EP) is a potentially life-threatening condition and early diagnosis still remains a challenge, causing a delay in management leading to tubal rupture.ObjectivesTo identify putative plasma biomarkers for the detection of tubal EP and elucidate altered biochemical pathways in EP compared to intrauterine pregnancies.MethodsThis case –control study included prospective recruitment of 39 tubal EP cases and 89 early intrauterine pregnancy controls. Plasma samples were biochemically profiled using proton nuclear magnetic resonance spectroscopy (1H NMR). To avoid over-fitting, datasets ...
Source: Metabolomics - October 19, 2019 Category: Biology Source Type: research

The application of artificial neural networks in metabolomics: a historical perspective
AbstractBackgroundMetabolomics data, with its complex covariance structure, is typically modelled by projection-based machine learning (ML) methods such as partial least squares (PLS) regression, which project data into a latent structure. Biological data are often non-linear, so it is reasonable to hypothesize that metabolomics data may also have a non-linear latent structure, which in turn would be best modelled using non-linear equations. A non-linear ML method with a similar projection equation structure to PLS is artificial neural networks (ANNs). While ANNs were first applied to metabolic profiling data in the 1990s,...
Source: Metabolomics - October 18, 2019 Category: Biology Source Type: research

Post-periodontal surgery propounds early repair salivary biomarkers by 1 H NMR based metabolomics
ConclusionSignificant metabolites could be considered as early repair markers for chronic periodontitis disease as they are being restored to achieve symbiosis. The study, therefore, concluded the early recovery process of the diseased subjects with the restoration of possible metabolomic profile similar to the healthy controls.Graphic abstract (Source: Metabolomics)
Source: Metabolomics - October 14, 2019 Category: Biology Source Type: research

Elevated serum ceramides are linked with obesity-associated gut dysbiosis and impaired glucose metabolism
ConclusionThis study identifies an association between gut microbiota richness, ceramides, and diabetes risk in overweight/obese humans, and suggests that the gut microbiota may contribute to dysregulation of lipid metabolism in metabolic disorders. (Source: Metabolomics)
Source: Metabolomics - October 11, 2019 Category: Biology Source Type: research

Metabolomics: a search for biomarkers of visceral fat and liver fat content
ConclusionMetabolomics may be a useful tool to identify biomarkers of visceral fat and liver fat content that have added diagnostic value over current approximations. Replication studies are required to validate the diagnostic value of these metabolites. (Source: Metabolomics)
Source: Metabolomics - October 5, 2019 Category: Biology Source Type: research

An LCMS-based untargeted metabolomics protocol for cochlear perilymph: highlighting metabolic effects of hydrogen gas on the inner ear of noise exposed Guinea pigs
ConclusionsA HILIC-UHPLC-Q-TOF –MS-based protocol for untargeted metabolomics of perilymph is presented and shown to be fit-for-purpose. We found a clear difference in the perilymph metabolome of noise exposed guinea pigs with and without H2 treatment. (Source: Metabolomics)
Source: Metabolomics - October 5, 2019 Category: Biology Source Type: research

Diverse therapeutic efficacies and more diverse mechanisms of nicotinamide
AbstractBackgroundNicotinamide (NAM) is a form of vitamin B3 that, when administered at near-gram doses, has been shown or suggested to be therapeutically effective against many diseases and conditions. The target conditions are incredibly diverse ranging from skin disorders such as bullous pemphigoid to schizophrenia and depression and even AIDS. Similar diversity is expected for the underlying mechanisms. In a large portion of the conditions, NAM conversion to nicotinamide adenine dinucleotide (NAD+) may be a major factor in its efficacy. The augmentation of cellular NAD+ level not only modulates mitochondrial production...
Source: Metabolomics - October 5, 2019 Category: Biology Source Type: research

Botanical metabolite ions extraction from full electrospray ionization mass spectrometry using high-dimensional penalized regression
ConclusionThe multivariate analytical workflow selects “true” metabolite ions signals and provides an alternative approach to a univariatep-value cutoff fromt-test, thus enhancing the data analysis process of metabolomics. (Source: Metabolomics)
Source: Metabolomics - October 4, 2019 Category: Biology Source Type: research

Impact of matrix effects and ionization efficiency in non-quantitative untargeted metabolomics
ConclusionsDue to the presence of matrix effects in untargeted, non-quantitative metabolomics, the signal intensity of any single analyte cannot be directly compared to the signal intensity of that same analyte (or any other analyte) between any two different matrices. Due to differences in ionization efficiency, the signal intensity of any single analyte cannot be directly compared to the signal intensity of any other analyte, even in the same matrix.Graphic Abstract (Source: Metabolomics)
Source: Metabolomics - October 4, 2019 Category: Biology Source Type: research

In vitro profiling of endothelial volatile organic compounds under resting and pro-inflammatory conditions
DiscussionThe emission and uptake of the aforementioned VOCs disclose potential unexplored metabolic pathways for EC that deserve to be investigated. Overall, we identified new candidate VOC potentially exploitable, upon experimental confirm in in vivo model of disease, as potential biomarkers of sepsis and pro-inflammatory clinical settings. (Source: Metabolomics)
Source: Metabolomics - October 3, 2019 Category: Biology Source Type: research

Predicting response to lisinopril in treating hypertension: a pilot study
ConclusionsFurther validation cohorts are needed to confirm the predictive values of these clinical and metabolic markers. (Source: Metabolomics)
Source: Metabolomics - October 3, 2019 Category: Biology Source Type: research

Multi-block PLS discriminant analysis for the joint analysis of metabolomic and epidemiological data
ConclusionIn particular, we highlighted the impact of filtering the metabolomic variables beforehand, and the relevance of a MBPLSDA approach in comparison to a standard PLS discriminant analysis method. (Source: Metabolomics)
Source: Metabolomics - October 3, 2019 Category: Biology Source Type: research

Metabolomic analysis of Shiga toxin 2a-induced injury in conditionally immortalized glomerular endothelial cells
ConclusionStimulation of ciGEnC with TNF α + Stx2a is associated with profound metabolic changes indicative of increased inflammation, oxidative stress and energy turnover. (Source: Metabolomics)
Source: Metabolomics - October 1, 2019 Category: Biology Source Type: research

Leaf metabolic signatures induced by real and simulated herbivory in black mustard ( Brassica nigra )
ConclusionsThe metabolomics approach showed that plant responses induced by herbivory extend beyond the regulation of defence metabolism and are tightly modulated throughout leaf development. This leads to a new understanding of the plant metabolic potential that can be exploited for future plant protection strategies. (Source: Metabolomics)
Source: Metabolomics - September 28, 2019 Category: Biology Source Type: research

Relationship between the lipid composition of maternal plasma and infant plasma through breast milk
ConclusionThis study found evidence that the abundance of individual lipid isoforms associated with infant development are associated with the abundance of individual molecular species in the mother ’s circulation. (Source: Metabolomics)
Source: Metabolomics - September 25, 2019 Category: Biology Source Type: research

The omics approach to bee nutritional landscape
ConclusionInformation gleaned from this study is crucial in understanding the nutritional landscape available to all bee pollinators and may further assist in future efforts to develop comprehensive database of nutrients and metabolites present in all bee diets. (Source: Metabolomics)
Source: Metabolomics - September 20, 2019 Category: Biology Source Type: research

Compound danshen dripping pills normalize a reprogrammed metabolism of myocardial ischemia rats to interpret its time-dependent efficacy in clinic trials: a metabolomic study
ConclusionMetabolic modulation by CDDP contributes to the fluctuated or stabilized therapeutic outcome, and is a potential therapeutic approach for myocardial ischemia diseases. (Source: Metabolomics)
Source: Metabolomics - September 20, 2019 Category: Biology Source Type: research

GC/MS based metabolite profiling of Indonesian specialty coffee from different species and geographical origin
ConclusionsOur results showed that each region (western, central and eastern part of Indonesia) has signature compounds that may serve as discriminant markers for coffee authentication. This is the first report on the classification of Indonesian specialty coffee based on their metabolic profiles and can act as a basis for marker identification for routine procedures in industry. (Source: Metabolomics)
Source: Metabolomics - September 18, 2019 Category: Biology Source Type: research

Toward collaborative open data science in metabolomics using Jupyter Notebooks and cloud computing
AbstractBackgroundA lack of transparency and reporting standards in the scientific community has led to increasing and widespread concerns relating to reproduction and integrity of results. As an omics science, which generates vast amounts of data and relies heavily on data science for deriving biological meaning, metabolomics is highly vulnerable to irreproducibility. The metabolomics community has made substantial efforts to align with FAIR data standards by promoting open data formats, data repositories, online spectral libraries, and metabolite databases. Open data analysis platforms also exist; however, they tend to b...
Source: Metabolomics - September 14, 2019 Category: Biology Source Type: research

Metabolomics to reveal biomarkers and pathways of preterm birth: a systematic review and epidemiologic perspective
ConclusionStudies to date on metabolomic predictors of preterm birth are highly heterogeneous in both methodology and resulting metabolite identification. There is an urgent need for larger studies in well-defined populations, to determine biomarkers predictive of preterm birth, and to reveal mechanisms and targets for development of intervention strategies. (Source: Metabolomics)
Source: Metabolomics - September 10, 2019 Category: Biology Source Type: research

Genome-wide association studies of 74 plasma metabolites of German shepherd dogs reveal two metabolites associated with genes encoding their enzymes
ConclusionDAO andLOC477365 were identified as candidate genes affecting the natural plasma concentration of 4-hydroxyproline and threonine, respectively. Further investigations are needed to validate the effects of the variants on these genes. (Source: Metabolomics)
Source: Metabolomics - September 6, 2019 Category: Biology Source Type: research

Xenobiotics metabolization in Salix alba leaves uncovered by mass spectrometry imaging
ConclusionUsing complementary metabolomics approaches, this study performed a large-scale exploration of micropollutants spreading in the environment at the exit of a tertiary treatment wetland. The use of MSI coupled with the prediction of xenobiotic metabolites yielded novel insights into plant metabolism during chronical exposure to low doses of a mixture of micropollutants. (Source: Metabolomics)
Source: Metabolomics - August 30, 2019 Category: Biology Source Type: research

Metabolic switches from quiescence to growth in synchronized Saccharomyces cerevisiae
ConclusionThe intracellular flux distribution changes dynamically and these major rearrangements highlight the coordinate reorganization of metabolic flux to meet requirements for growth during different cell state. (Source: Metabolomics)
Source: Metabolomics - August 29, 2019 Category: Biology Source Type: research

Metabolomics by UHPLC –MS: benefits provided by complementary use of Q-TOF and QQQ for pathway profiling
ConclusionOur screening strategy combined the benefits of the unbiased full-scan HRMS acquisition with the deeper insight into specific pathways by large-scale QQQ analysis. (Source: Metabolomics)
Source: Metabolomics - August 28, 2019 Category: Biology Source Type: research

Metabolites profiling of date palm ( Phoenix dactylifera L.) commercial by-products (pits and pollen) in relation to its antioxidant effect: a multiplex approach of MS and NMR metabolomics
In this study, a large-scale comparative metabolomics approach was performed for the first characterization and standardization of date palm by-products viz., date pits and pollen. Moreover, roasting impact on date pit metabolite composition was also assessed.MethodsMetabolites profiling of pits and pollen was determined via a multiplex approach of UPLC –MS and NMR, coupled to multivariate analysis, in relation to its antioxidant activities.ResultsChemical analyses led to the identification of 67 metabolites viz., phenolic acids, flavonols, fatty acids, sphingolipids, steroids and saponins of which 10 are first time ...
Source: Metabolomics - August 27, 2019 Category: Biology Source Type: research

Metabolome-based discrimination of chrysanthemum cultivars for the efficient generation of flower color variations in mutation breeding
ConclusionThis metabolome-based strategy to identify metabolite markers for mutation rates associated with flower color might be applied to other ornamental flowers to accelerate mutation breeding for generating new cultivars with a wider range of flower colors. (Source: Metabolomics)
Source: Metabolomics - August 26, 2019 Category: Biology Source Type: research

Metabolomics, lipidomics and proteomics profiling of myoblasts infected with Trypanosoma cruzi after treatment with different drugs against Chagas disease
ConclusionWe validated the metabolic fingerprinting approach to a complex host-cell parasite system. This technique can potentially be applied in the early stage of drug discovery and could help to prioritize early leads or reconfirmed hits for further development. (Source: Metabolomics)
Source: Metabolomics - August 22, 2019 Category: Biology Source Type: research

Combining untargeted and targeted metabolomics approaches for the standardization of polyherbal formulations through UPLC –MS/MS
ConclusionThis method demonstrates a comprehensive strategy based on untargeted and targeted metabolite analysis that can be used for the standardization of complex polyherbal formulations. (Source: Metabolomics)
Source: Metabolomics - August 22, 2019 Category: Biology Source Type: research

Functional analysis of isoprenoid precursors biosynthesis by quantitative metabolomics and isotopologue profiling
AbstractIntroductionIsoprenoids are amongst the most abundant and diverse biological molecules and are involved in a broad range of biological functions. Functional understanding of their biosynthesis is thus key in many fundamental and applicative fields, including systems biology, medicine and biotechnology. However, available methods do not yet allow accurate quantification and tracing of stable isotopes incorporation for all the isoprenoids precursors.ObjectivesWe developed and validated a complete methodology for quantitative metabolomics and isotopologue profiling of isoprenoid precursors in the yeastSaccharomyces ce...
Source: Metabolomics - August 21, 2019 Category: Biology Source Type: research

Tissue, urine and blood metabolite signatures of chronic kidney disease in the 5/6 nephrectomy rat model
ConclusionAlthough the metabolic picture is complex, we suggest oxidative stress, the gut-kidney axis, acid –base balance, and energy metabolism as promising areas for future investigation. (Source: Metabolomics)
Source: Metabolomics - August 17, 2019 Category: Biology Source Type: research

Metabolic response of yellow mealworm larvae to two alternative rearing substrates
The objective of this study was to investigate on the metabolic and nutritional response of yellow mealworm larvae to dried brewer ’s spent grains (BSG) and WB used as rearing substrates.MethodsProximate, fibre and fatty acid compositions of durum WB and dried BSG were first characterized. Mealworm larvae were fed either WB (WB-L) or BSG (BSG-L) in a trial reproducing a scale rearing condition. Feed efficiency parameters together with proximate and FA composition were determined. Metabolic pathways affected by the dietary treatments were evaluated by means of a targeted metabolomics approach. Proton nuclear magnetic ...
Source: Metabolomics - August 17, 2019 Category: Biology Source Type: research

Metabolomic study on bleomycin and polyhexamethylene guanidine phosphate-induced pulmonary fibrosis mice models
ConclusionThis result suggests PHMG will be able to induce pulmonary fibrosis by arginine metabolism and NADPH oxidase signaling. (Source: Metabolomics)
Source: Metabolomics - August 17, 2019 Category: Biology Source Type: research

The HDL lipidome is widely remodeled by fast food versus Mediterranean diet in 4  days
ConclusionResults from this study indicate that the HDL lipidome is widely remodeled within 4  days of diet change and that certain lipid classes are more sensitive markers of diet whereas other lipid classes are better indicators of non-dietary factors. (Source: Metabolomics)
Source: Metabolomics - August 17, 2019 Category: Biology Source Type: research

NMR-based metabolomics in real-time monitoring of treatment induced toxicity and cachexia in head and neck cancer: a method for early detection of high risk patients
ConclusionOur findings indicate that metabolic alterations, characteristic for malnutrition or cachexia, can be detected already at the beginning of the treatment, making it possible to monitor the patients with a higher risk of weight loss. (Source: Metabolomics)
Source: Metabolomics - August 16, 2019 Category: Biology Source Type: research

Beyond the antibodies: serum metabolomic profiling of myasthenia gravis
ConclusionIn patients presenting to the clinic with seropositive MG, metabolomic profiling is capable of distinguishing patients with disease from those without. These results provide an important first step towards a potential biomarker for improving MG identification. (Source: Metabolomics)
Source: Metabolomics - August 1, 2019 Category: Biology Source Type: research

Using metabolomics to assess the sub-lethal effects of zinc and boscalid on an estuarine polychaete worm over time
ConclusionA multi-platform approach provided a holistic overview of the metabolomic response to contaminants in polychaetes. This approach shows promise to be used in biomonitoring programs to provide early diagnostic indicators of contamination and exposure. (Source: Metabolomics)
Source: Metabolomics - July 31, 2019 Category: Biology Source Type: research

Effect of natural antioxidants on lipid oxidation in mayonnaise compared with BHA, the industry standard
AbstractIntroductionMayonnaise is an oil in water emulsion (O/W) consisting 70 –80% oil. Lipid oxidation is a major cause of quality deterioration in mayonnaise. The effectiveness of antioxidants in a hetrophasic systems is highly dependent on their polarity and partitioning properties.ObjectivesThe aim of the present study was to determine the effect of a hydrophilic [green tea extract (GTE)] and a lipophilic [tocopherol mixture (TOC)] and BHA on lipid oxidation in mayonnaise during 60  days of storage at 38 °C and to examine the interactions between GTE and TOC, to determine possible synergistic or an...
Source: Metabolomics - July 25, 2019 Category: Biology Source Type: research

Processing of NMR and MS metabolomics data using chemometrics methods: a global tool for fungi biotransformation reactions monitoring
ConclusionThis study demonstrates how NMR and MS acquisitions combined with chemometric methods offer an innovative analytical strategy to have a grasp of functionalization mechanisms, and identify metabolites and other compounds (amino acids, nutrients, etc.) in complex biotransformation mixtures. (Source: Metabolomics)
Source: Metabolomics - July 25, 2019 Category: Biology Source Type: research

Metabolite variation in three edible Italian Allium cepa L. by NMR-based metabolomics: a comparative study in fresh and stored bulbs
ConclusionMetabolomics allows a reliable differentiation among onion varieties, and highlights the potential of fingerprinting for food authentication purposes. (Source: Metabolomics)
Source: Metabolomics - July 19, 2019 Category: Biology Source Type: research

Identification of chemotypes in bitter melon by metabolomics: a plant with potential benefit for management of diabetes in traditional Chinese medicine
ConclusionOur finding revealed a clear chemotype distribution of bioactive components across bitter melon varieties. While bioactivities of individual CTGs and OTGs still need to be investigated in more depth, our results could help in future the selection of bitter melon varieties with optimised metabolites profile for an improved management of diabetes with this popular edible Chinese folk medicine. (Source: Metabolomics)
Source: Metabolomics - July 18, 2019 Category: Biology Source Type: research

A large-scale analysis of targeted metabolomics data from heterogeneous biological samples provides insights into metabolite dynamics
ConclusionsOur study is expected to serve as a resource and a reference point for a systematic analysis of label-free LC –MS/MS targeted metabolomics data in both RPLC and HILIC methods with dMRM. (Source: Metabolomics)
Source: Metabolomics - July 9, 2019 Category: Biology Source Type: research

Multiple metabolic pathways are predictive of ricin intoxication in a rat model
ConclusionsThese data demonstrate that metabolites may be a useful tool to diagnose and detect ricin exposure, thus increasing the effectiveness of supportive therapy and future ricin-specific medical treatments. (Source: Metabolomics)
Source: Metabolomics - July 3, 2019 Category: Biology Source Type: research

Metabolomic profiling suggests systemic signatures of premature aging induced by Hutchinson –Gilford progeria syndrome
ConclusionOur data show significant alterations in cellular energy use and availability, in signal transduction, and lipid metabolites, adding new insights on metabolic alterations associated with premature aging and suggesting novel putative biomarkers. (Source: Metabolomics)
Source: Metabolomics - June 28, 2019 Category: Biology Source Type: research

Metabolomic profiling of the excretory –secretory products of hookworm and whipworm
ConclusionN. brasiliensis andT. muris secrete polar and non-polar small molecules with as many as 17 metabolites known to exhibit various pharmacological activities. (Source: Metabolomics)
Source: Metabolomics - June 28, 2019 Category: Biology Source Type: research

Metabolic profiling in children with autism spectrum disorder with and without mental regression: preliminary results from a cross-sectional case –control study
ConclusionsIn this study, we report, for the first time, the plasmatic metabolomic profiles of children with ASD, including two different phenotypes based on mental regression status. The use of a liquid chromatography-mass spectrometry platform approach for metabolomics in ASD children using plasma appears to be very efficient and adds further support to previous findings in urine. Furthermore, the present study documents several changes related to amino acid, NAD+ and lipid metabolism that, in some cases, such as arginine and glutamate pathway alterations, seem to be associated with the AR phenotype. Further targeted ana...
Source: Metabolomics - June 27, 2019 Category: Biology Source Type: research

Untargeted metabolomic analysis of coronary artery disease patients with diastolic dysfunction show disturbed oxidative pathway
ConclusionFifteen metabolites were found to be statistically different between cases and control. Variation in metabolites were identified and correlated with several clinically important echocardiography parameters i.e. LVDD grades, ejection fraction (EF) and E/e ’ values. The results suggested that metabolic products of fatty acid oxidation and glucose oxidation pathways such as oleic acid, stearic acid, palmitic acid, linoleic acid, galactose, pyruvic and lactic acids are predominantly up regulated in patients with coronary artery disease and severity of diastolic dysfunction appears to be linked to increase in fa...
Source: Metabolomics - June 24, 2019 Category: Biology Source Type: research

Targeted metabolomics to investigate antimicrobial activity of itaconic acid in marine molluscs
ConclusionsWe reported on the production of ITA in different tissues ofP. canaliculus mussels challenged with a marine pathogen which confirmed ITA as an antimicrobial metabolite. The findings revealed insights into the biosynthesis of ITA and suggests its role in antimicrobial and anti-inflammatory activities in the innate immune system. This study also provided insights into the innate immune system of bivalves and highlighted the potential use of ITA as a biomarker for shellfish health assessment in aquaculture. (Source: Metabolomics)
Source: Metabolomics - June 22, 2019 Category: Biology Source Type: research

Metabolomics of childhood exposure to perfluoroalkyl substances: a cross-sectional study
AbstractIntroductionExposure to perfluoroalkyl substances (PFAS), synthetic and persistent chemicals used in commercial and industrial processes, are associated with cardiometabolic dysfunction and related risk factors including reduced birth weight, excess adiposity, and dyslipidemia. Identifying the metabolic changes induced by PFAS exposure could enhance our understanding of biological pathways underlying PFAS toxicity.ObjectiveTo identify metabolic alterations associated with serum concentrations of four PFAS in children using a metabolome-wide association study.MethodsWe performed untargeted metabolomic profiling by l...
Source: Metabolomics - June 21, 2019 Category: Biology Source Type: research

Comprehensive metabolomic and proteomic analyses reveal candidate biomarkers and related metabolic networks in atrial fibrillation
Conclusionwe used a comprehensive multiple-omics strategy to systematically investigate the dysregulated molecules in the plasma of AF patients, thereby revealing potential biomarkers for diagnosis and providing information for pathological studies. (Source: Metabolomics)
Source: Metabolomics - June 21, 2019 Category: Biology Source Type: research

Recognition of early and late stages of bladder cancer using metabolites and machine learning
ConclusionBy examining the biomarkers present in the urine samples of BCa patients as compared with normal patients, the biomarkers associated with this cancer can be pinpointed and lead to the elucidation of affected metabolic pathways that are specific to different stages of cancer. Development of machine-learning model including metabolites and their chemical descriptors made it possible to achieve considerable accuracy of prediction of stages of BCa. (Source: Metabolomics)
Source: Metabolomics - June 20, 2019 Category: Biology Source Type: research