(Q37780690)

23 August 2017

title

Systems level studies of mammalian metabolomes: the roles of mass spectrometry and nuclear magnetic resonance spectroscopy (English)

1 reference

23 August 2017

0 references

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David I Broadhurst

2

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Warwick Dunn

object named as

Warwick B Dunn

series ordinal

1

0 references

Roy Goodacre

series ordinal

4

object named as

Royston Goodacre

1 reference

23 August 2017

5

Julian L Griffin

1 reference

23 August 2017

3

Helen J Atherton

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23 August 2017

publication date

17 August 2010

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23 August 2017

published in

Chemical Society Reviews

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23 August 2017

volume

40

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23 August 2017

issue

1

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23 August 2017

page(s)

387-426

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Metabolomics – the link between genotypes and phenotypes

23 August 2017

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Statistical strategies for avoiding false discoveries in metabolomics and related experiments

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A pragmatic and readily implemented quality control strategy for HPLC-MS and GC-MS-based metabonomic analysis.

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Analytical error reduction using single point calibration for accurate and precise metabolomic phenotyping.

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High temperature-ultra performance liquid chromatography-mass spectrometry for the metabonomic analysis of Zucker rat urine

21 January 2018

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A comprehensive urinary metabolomic approach for identifying kidney cancerr

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21 January 2018

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Metabolomic profiling to develop blood biomarkers for Parkinson's disease

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Mass spectrometry-based metabolomics

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Mass spectrometry in metabolome analysis.

21 January 2018

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Flow-injection electrospray ionization mass spectrometry of crude cell extracts for high-throughput bacterial identification

21 January 2018

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Dynamic range and mass accuracy of wide-scan direct infusion nanoelectrospray fourier transform ion cyclotron resonance mass spectrometry-based metabolomics increased by the spectral stitching method.

21 January 2018

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Development and Performance of a Gas Chromatography−Time-of-Flight Mass Spectrometry Analysis for Large-Scale Nontargeted Metabolomic Studies of Human Serum

21 January 2018

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GC-MS with ethyl chloroformate derivatization for comprehensive analysis of metabolites in serum and its application to human uremia

21 January 2018

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Closed-loop, multiobjective optimization of analytical instrumentation: gas chromatography/time-of-flight mass spectrometry of the metabolomes of human serum and of yeast fermentations.

21 January 2018

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Higher mass loadability in comprehensive two-dimensional gas chromatography-mass spectrometry for improved analytical performance in metabolomics analysis

21 January 2018

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Recent advancements in comprehensive two-dimensional separations with chemometrics

21 January 2018

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An introduction to liquid chromatography-mass spectrometry instrumentation applied in plant metabolomic analyses

21 January 2018

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High resolution "ultra performance" liquid chromatography coupled to oa-TOF mass spectrometry as a tool for differential metabolic pathway profiling in functional genomic studies.

21 January 2018

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Evaluation of a protocol for metabolic profiling studies on human blood plasma by combined ultra-performance liquid chromatography/mass spectrometry: From extraction to data analysis

21 January 2018

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Statistical search space reduction and two-dimensional data display approaches for UPLC-MS in biomarker discovery and pathway analysis

21 January 2018

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Metabolomic profiling using Orbitrap Fourier transform mass spectrometry with hydrophilic interaction chromatography: a method with wide applicability to analysis of biomolecules

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Derivatisation for liquid chromatography/electrospray mass spectrometry: synthesis of pyridinium compounds and their amine and carboxylic acid derivatives

21 January 2018

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Characterization of the ABA-regulated global responses to dehydration in Arabidopsis by metabolomics

21 January 2018

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Capillary electrophoresis-fourier transform ion cyclotron resonance mass spectrometry for the identification of cationic metabolites via a pH-mediated stacking-transient isotachophoretic method

21 January 2018

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Quantitative Metabolome Analysis Using Capillary Electrophoresis Mass Spectrometry

21 January 2018

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MR-determined metabolic phenotype of breast cancer in prediction of lymphatic spread, grade, and hormone status

21 January 2018

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The biochemical profile of rat testicular tissue as measured by magic angle spinning 1H NMR spectroscopy.

21 January 2018

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High-resolution diffusion and relaxation-edited magic angle spinning 1H NMR spectroscopy of intact liver tissue

21 January 2018

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Abnormal lipid profile of dystrophic cardiac tissue as demonstrated by one- and two-dimensional magic-angle spinning (1)H NMR spectroscopy

21 January 2018

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Effects of feeding and body weight loss on the 1H-NMR-based urine metabolic profiles of male Wistar Han rats: implications for biomarker discovery

21 January 2018

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Evaluation of predicted network modules in yeast metabolism using NMR-based metabolite profiling

21 January 2018

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21 January 2018

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21 January 2018

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Real-time assessment of Krebs cycle metabolism using hyperpolarized 13C magnetic resonance spectroscopy.

21 January 2018

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Targeted profiling: quantitative analysis of 1H NMR metabolomics data

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Statistical total correlation spectroscopy: an exploratory approach for latent biomarker identification from metabolic 1H NMR data sets

21 January 2018

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21 January 2018

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Statistically integrated metabonomic-proteomic studies on a human prostate cancer xenograft model in mice

21 January 2018

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21 January 2018

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Metabolic profiling using direct infusion electrospray ionisation mass spectrometry for the characterisation of olive oils

21 January 2018

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Spectral relative standard deviation: a practical benchmark in metabolomics

21 January 2018

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Automated work-flow for processing high-resolution direct infusion electrospray ionization mass spectral fingerprints

21 January 2018

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Nonlinear data alignment for UPLC-MS and HPLC-MS based metabolomics: quantitative analysis of endogenous and exogenous metabolites in human serum

21 January 2018

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MetAlign: interface-driven, versatile metabolomics tool for hyphenated full-scan mass spectrometry data preprocessing

21 January 2018

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Processing methods for differential analysis of LC/MS profile data

21 January 2018

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MathDAMP: a package for differential analysis of metabolite profiles

21 January 2018

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Data processing for mass spectrometry-based metabolomics

21 January 2018

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Centering, scaling, and transformations: improving the biological information content of metabolomics data

21 January 2018

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Metabonomics techniques and applications to pharmaceutical research & development

21 January 2018

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Automated principal component-based orthogonal signal correction applied to fused near infrared-mid-infrared spectra of French olive oils

21 January 2018

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Orthogonal projections to latent structures (O-PLS)

21 January 2018

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Classification of pyrolysis mass spectra by fuzzy multivariate rule induction-comparison with regression, K-nearest neighbour, neural and decision-tree methods

21 January 2018

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Warmr: a data mining tool for chemical data

21 January 2018

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Identifying Important Risk Factors for Survival in Kidney Graft Failure Patients Using Random Survival Forests

21 January 2018

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Multiobjective optimization in bioinformatics and computational biology

21 January 2018

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Making sense of the metabolome using evolutionary computation: seeing the wood with the trees

21 January 2018

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Metabolomic biomarkers: search, discovery and validation

21 January 2018

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Large-scale human metabolomics studies: a strategy for data (pre-) processing and validation

21 January 2018

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Variable selection using iterative reformulation of training set models for discrimination of samples: application to gas chromatography/mass spectrometry of mouse urinary metabolites

21 January 2018

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Genetic algorithms for simultaneous variable and sample selection in metabonomics

21 January 2018

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Genetic algorithms as a method for variable selection in multiple linear regression and partial least squares regression, with applications to pyrolysis mass spectrometry

21 January 2018

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Genetic algorithm optimization for pre-processing and variable selection of spectroscopic data

21 January 2018

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21 January 2018

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21 January 2018

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Basic principles of ROC analysis

21 January 2018

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Serum metabolomics reveals many novel metabolic markers of heart failure, including pseudouridine and 2-oxoglutarate

21 January 2018

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Data-driven modelling of signal-transduction networks

21 January 2018

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21 January 2018

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Metabolomics and systems biology: making sense of the soup

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Early extreme contradictory estimates may appear in published research: the Proteus phenomenon in molecular genetics research and randomized trials

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Evaluation of the potential excess of statistically significant findings in published genetic association studies: application to Alzheimer's disease

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Higher criticism thresholding: Optimal feature selection when useful features are rare and weak

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Analysis of the metabolic footprint and tissue metabolome of placental villous explants cultured at different oxygen tensions reveals novel redox biomarkers

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Metabolite profiling of human colon carcinoma--deregulation of TCA cycle and amino acid turnover

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Response and recovery in the plasma metabolome tracks the acute LCMV-induced immune response

21 January 2018

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Within-day reproducibility of an HPLC-MS-based method for metabonomic analysis: application to human urine

21 January 2018

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Application of ultra performance liquid chromatography-mass spectrometry to profiling rat and dog bile

21 January 2018

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Metabolite profiling of fecal water extracts from human colorectal cancer

21 January 2018

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Understanding the human salivary metabolome

21 January 2018

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21 January 2018

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Analysis of the hibernation cycle using LC-MS-based metabolomics in ground squirrel liver

21 January 2018

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Metabonomics studies of intact hepatic and renal cortical tissues from diabetic db/db mice using high-resolution magic-angle spinning 1H NMR spectroscopy

21 January 2018

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Detection of metabolic alterations in non-tumor gastrointestinal tissue of the Apc(Min/+) mouse by (1)H MAS NMR spectroscopy.

21 January 2018

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21 January 2018

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Multiparametric analysis of amino acids and organic acids in rat brain tissues using GC/MS.

21 January 2018

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Effective quenching processes for physiologically valid metabolite profiling of suspension cultured Mammalian cells

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21 January 2018

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21 January 2018

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Changes in the metabolic footprint of placental explant-conditioned culture medium identifies metabolic disturbances related to hypoxia and pre-eclampsia.

21 January 2018

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Analysis of the adult human plasma metabolome

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A Functional Analysis of Mouse Models of Cardiac Disease through Metabolic Profiling

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ENU mutagenesis identifies mice with cardiac fibrosis and hepatic steatosis caused by a mutation in the mitochondrial trifunctional protein beta-subunit

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21 January 2018

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Direct quantitative trait locus mapping of mammalian metabolic phenotypes in diabetic and normoglycemic rat models

21 January 2018

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Peroxisome proliferator-activated receptor alpha (PPARalpha) influences substrate utilization for hepatic glucose production

21 January 2018

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A combined 1H-NMR spectroscopy- and mass spectrometry-based metabolomic study of the PPAR-alpha null mutant mouse defines profound systemic changes in metabolism linked to the metabolic syndrome.

21 January 2018

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PPAR gamma 2 prevents lipotoxicity by controlling adipose tissue expandability and peripheral lipid metabolism

21 January 2018

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Adaptation and failure of pancreatic beta cells in murine models with different degrees of metabolic syndrome

21 January 2018

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Adipose tissue inflammation and increased ceramide content characterize subjects with high liver fat content independent of obesity.

21 January 2018

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21 January 2018

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A branched-chain amino acid-related metabolic signature that differentiates obese and lean humans and contributes to insulin resistance

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Critical evaluation of 1H NMR metabonomics of serum as a methodology for disease risk assessment and diagnostics

21 January 2018

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Detection and identification of novel metabolomic biomarkers in preeclampsia

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Novel biomarkers for pre-eclampsia detected using metabolomics and machine learning

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Metabolomic profiling reveals distinct patterns of myocardial substrate use in humans with coronary artery disease or left ventricular dysfunction during surgical ischemia/reperfusion.

21 January 2018

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Defining a metabolic phenotype in the brain of a transgenic mouse model of spinocerebellar ataxia 3.

21 January 2018

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Metabolic profiles of cancer cells

21 January 2018

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Metabolic characterization of distinct neuroanatomical regions in rats by magic angle spinning 1H nuclear magnetic resonance spectroscopy

21 January 2018

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Metabolite changes in BT4C rat gliomas undergoing ganciclovir-thymidine kinase gene therapy-induced programmed cell death as studied by 1H NMR spectroscopy in vivo, ex vivo, and in vitro.

21 January 2018

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Automated classification of short echo time in in vivo 1H brain tumor spectra: a multicenter study

21 January 2018

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Metabolic profiling of genetic disorders: a multitissue (1)H nuclear magnetic resonance spectroscopic and pattern recognition study into dystrophic tissue

21 January 2018

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Chemical diagnosis of Lesch-Nyhan syndrome using gas chromatography-mass spectrometry detection

21 January 2018

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Metabolomic analysis and signatures in motor neuron disease

21 January 2018

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Metabolic characterization of the R6/2 transgenic mouse model of Huntington's disease by high-resolution MAS 1H NMR spectroscopy

21 January 2018

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Metabolic profiling of CSF: evidence that early intervention may impact on disease progression and outcome in schizophrenia

21 January 2018

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Proton MR CSF analysis and a new software as predictors for the differentiation of meningitis in children.

21 January 2018

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Metabolic profiling of patients with schizophrenia

21 January 2018

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Mitochondrial dysfunction in schizophrenia: evidence for compromised brain metabolism and oxidative stress

21 January 2018

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Characteristic metabolic profiles revealed by 1H NMR spectroscopy for three types of human brain and nervous system tumours.

21 January 2018

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Metabolic profiles of human brain tumors using quantitative in vivo 1H magnetic resonance spectroscopy

21 January 2018

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Mass spectrometry-based metabolic profiling reveals different metabolite patterns in invasive ovarian carcinomas and ovarian borderline tumors.

21 January 2018

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Non-destructive quantitation of spermine in human prostate tissue samples using HRMAS 1H NMR spectroscopy at 9.4 T.

21 January 2018

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Metabonomics in toxicology: a review

21 January 2018

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Metabonomic modeling of drug toxicity

21 January 2018

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NMR-based metabolic profiling and metabonomic approaches to problems in molecular toxicology

21 January 2018

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NMR-based metabonomic approaches for evaluating physiological influences on biofluid composition

21 January 2018

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21 January 2018

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Development of a multivariate statistical model to predict peroxisome proliferation in the rat, based on urinary 1H-NMR spectral patterns

21 January 2018

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Tryptophan-NAD+ pathway metabolites as putative biomarkers and predictors of peroxisome proliferation.

21 January 2018

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Potential urinary and plasma biomarkers of peroxisome proliferation in the rat: identification of N-methylnicotinamide and N-methyl-4-pyridone-3-carboxamide by 1H nuclear magnetic resonance and high performance liquid chromatography

21 January 2018

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An hypothesis for a mechanism underlying hepatotoxin-induced hypercreatinuria

21 January 2018

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Use of metabonomics to identify impaired fatty acid metabolism as the mechanism of a drug-induced toxicity

21 January 2018

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Analytical strategies in lipidomics and applications in disease biomarker discovery

21 January 2018

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Biomarker discovery using high-dimensional lipid analysis

21 January 2018

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Membrane lipids as signaling molecules

21 January 2018

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A matter of fat: an introduction to lipidomic profiling methods

21 January 2018

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The emerging field of lipidomics

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21 January 2018

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21 January 2018

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Accumulation of long-chain acylcarnitine and 3-hydroxy acylcarnitine molecular species in diabetic myocardium: identification of alterations in mitochondrial fatty acid processing in diabetic myocardium by shotgun lipidomics

21 January 2018

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New insights into cardiovascular and lipid metabolomics

21 January 2018

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Enhanced modification of cardiolipin during ischemia in the aged heart

21 January 2018

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Cardiolipin, the heart of mitochondrial metabolism.

21 January 2018

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Biomarkers of primary and evolving damage in traumatic and ischemic brain injury: diagnosis, prognosis, probing mechanisms, and therapeutic decision making

21 January 2018

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Role of Lipids in Brain Injury and Diseases

21 January 2018

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Lipid mediators regulating pain sensitivity

21 January 2018

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Membrane lipids and cell death: an overview.

21 January 2018

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Biomarkers of dietary energy restriction in women at increased risk of breast cancer.

21 January 2018

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Measurement of dietary exposure: a challenging problem which may be overcome thanks to metabolomics?

21 January 2018

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Biomarkers in nutritional epidemiology: applications, needs and new horizons

21 January 2018

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(13)C-based metabolic flux analysis.

21 January 2018

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Altered regulation of metabolic pathways in human lung cancer discerned by (13)C stable isotope-resolved metabolomics (SIRM)

21 January 2018

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Novel biological insights through metabolomics and 13C-flux analysis.

21 January 2018

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Metabolic flux analysis at ultra short time scale: isotopically non-stationary 13C labeling experiments.

21 January 2018

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Measurement of gluconeogenesis and pyruvate recycling in the rat liver: a simple analysis of glucose and glutamate isotopomers during metabolism of [1,2,3-(13)C3]propionate.

21 January 2018

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Reflections on the application of 13C-MRS to research on brain metabolism

21 January 2018

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In vivo 13C NMR measurements of cerebral glutamine synthesis as evidence for glutamate-glutamine cycling

21 January 2018

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Systems-level metabolic flux profiling identifies fatty acid synthesis as a target for antiviral therapy

21 January 2018

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Acid-base-driven matrix-assisted mass spectrometry for targeted metabolomics

21 January 2018

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Cellular imaging with secondary ion mass spectrometry

21 January 2018

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Cluster TOF-SIMS imaging: a new light for in situ metabolomics?

21 January 2018

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Mass spectrometry sampling under ambient conditions with desorption electrospray ionization

21 January 2018

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Clathrate nanostructures for mass spectrometry

21 January 2018

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Responsive MRI agents for sensing metabolism in vivo

21 January 2018

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Functional genomics and NMR spectroscopy

21 January 2018

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Genetics meets metabolomics: a genome-wide association study of metabolite profiles in human serum

21 January 2018

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Predicting metabolic biomarkers of human inborn errors of metabolism

21 January 2018

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BioMagResBank (BMRB) as a partner in the Worldwide Protein Data Bank (wwPDB): new policies affecting biomolecular NMR depositions

21 January 2018

1 reference

Self-consistent metabolic mixture analysis by heteronuclear NMR. Application to a human cancer cell line

21 January 2018

1 reference

Simultaneous analysis of amino and nonamino organic acids as methyl chloroformate derivatives using gas chromatography-mass spectrometry

21 January 2018

1 reference

MetaFIND: a feature analysis tool for metabolomics data.

21 January 2018

1 reference

MetaboMiner--semi-automated identification of metabolites from 2D NMR spectra of complex biofluids

21 January 2018

1 reference

Towards de novo identification of metabolites by analyzing tandem mass spectra

21 January 2018

1 reference

Explanatory signal interpretation and metabolite identification strategies for nominal mass FIE-MS metabolite fingerprints

21 January 2018

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Probabilistic assignment of formulas to mass peaks in metabolomics experiments

21 January 2018

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Seven Golden Rules for heuristic filtering of molecular formulas obtained by accurate mass spectrometry

21 January 2018

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Proposed minimum reporting standards for chemical analysis

21 January 2018

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Natural product analysis over the last decades

21 January 2018

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GMD@CSB.DB: the Golm Metabolome Database

21 January 2018

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GC-MS libraries for the rapid identification of metabolites in complex biological samples

21 January 2018

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FiehnLib: Mass Spectral and Retention Index Libraries for Metabolomics Based on Quadrupole and Time-of-Flight Gas Chromatography/Mass Spectrometry

21 January 2018

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Evaluation of protocols for reproducible electrospray in-source collisionally induced dissociation on various liquid chromatography/mass spectrometry instruments and the development of spectral libraries

21 January 2018

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Reproducible product-ion tandem mass spectra on various liquid chromatography/mass spectrometry instruments for the development of spectral libraries

21 January 2018

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A proposed framework for the description of plant metabolomics experiments and their results

21 January 2018

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Standard reporting requirements for biological samples in metabolomics experiments: microbial and in vitro biology experiments.

21 January 2018

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Standard reporting requirements for biological samples in metabolomics experiments: environmental context

21 January 2018

1 reference

Proposed minimum reporting standards for data analysis in metabolomics

21 January 2018

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MeMo: a hybrid SQL/XML approach to metabolomic data management for functional genomics

21 January 2018

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Parallel analysis of transcript and metabolic profiles: a new approach in systems biology

21 January 2018

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Coordinated concentration changes of transcripts and metabolites in Saccharomyces cerevisiae

21 January 2018

1 reference

Metabolomics: Current analytical platforms and methodologies

21 January 2018

1 reference

Metabolic Profile Biomarkers of Metal Contamination in a Sentinel Terrestrial Species Are Applicable Across Multiple Sites

21 January 2018

1 reference

Evaluation of automated electrospray-TOF mass spectrometryfor metabolic fingerprinting of the plant metabolome

21 January 2018

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Data Mining and Knowledge Discovery with Evolutionary Algorithms

21 January 2018

1 reference

Minimum reporting standards for plant biology context information in metabolomic studies

21 January 2018

1 reference

Proposed reporting requirements for the description of NMR-based metabolomics experiments

21 January 2018

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Metabolomics standards initiative: ontology working group work in progress

21 January 2018

1 reference

Nuclear Magnetic Resonance Spectroscopic and Principal Components Analysis Investigations into Biochemical Effects of Three Model Hepatotoxins

21 January 2018

1 reference

Statistical Correlation and Projection Methods for Improved Information Recovery from Diffusion-Edited NMR Spectra of Biological Samples

21 January 2018

1 reference

Cryogenic Probe13C NMR Spectroscopy of Urine for Metabonomic Studies

21 January 2018

1 reference

Metabolic profiling of rodent biological fluids via 1H NMR spectroscopy using a 1 mm microlitre probe

21 January 2018

1 reference

Comprehensive two-dimensional gas chromatography–time-of-flight mass spectrometry (GC × GC-TOF) for high resolution metabolomics: biomarker discovery on spleen tissue extracts of obese NZO compared to lean C57BL/6 mice

21 January 2018

1 reference

Metabolite identification via the Madison Metabolomics Consortium Database

21 January 2018

1 reference

Metabonomics, dietary influences and cultural differences: a 1H NMR-based study of urine samples obtained from healthy British and Swedish subjects

21 January 2018

1 reference

21 January 2018

Identifiers

DOI

10.1039/B906712B

1 reference

23 August 2017

1 reference