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PHARMACOLOGY & THERAPEUTICS (2006)
A pragmatic and readily implemented quality control strategy for HPLC-MS and GC-MS-based metabonomic analysis
Timothy Sangster et al.
ANALYST (2006)
Metabolic fingerprinting in disease diagnosis: biomedical applications of infrared and Raman spectroscopy
David I. Ellis et al.
ANALYST (2006)
Metabonomics techniques and applications to pharmaceutical research & development
JC Lindon et al.
PHARMACEUTICAL RESEARCH (2006)
Metabolomic identification of novel biomarkers of myocardial ischemia
MS Sabatine et al.
CIRCULATION (2005)
Proteomic and metabolomic analyses of atherosclerotic vessels from apolipoprotein E-deficient mice reveal alterations in inflammation, oxidative stress, and energy metabolism
M Mayr et al.
ARTERIOSCLEROSIS THROMBOSIS AND VASCULAR BIOLOGY (2005)
The Consortium for Metabonomic Toxicology (COMET): aims, activities and achievements
JC Lindon et al.
PHARMACOGENOMICS (2005)
Expanding metabolic networks:: Scopes of compounds, robustness, and evolution
T Handorf et al.
JOURNAL OF MOLECULAR EVOLUTION (2005)
Lipid mediators regulating pain sensitivity
TP Malan et al.
PROSTAGLANDINS & OTHER LIPID MEDIATORS (2005)
Processing methods for differential analysis of LC/MS profile data
M Katajamaa et al.
BMC BIOINFORMATICS (2005)
Contradicted and initially stronger effects in highly cited clinical research
JPA Ioannidis
JAMA-JOURNAL OF THE AMERICAN MEDICAL ASSOCIATION (2005)
The emerging field of lipidomics
MR Wenk
NATURE REVIEWS DRUG DISCOVERY (2005)
Novel biomarkers for pre-eclampsia detected using metabolomics and machine learning
Louise C. Kenny et al.
METABOLOMICS (2005)
Proton MR CSF analysis and a new software as predictors for the differentiation of meningitis in children
A Subramanian et al.
NMR IN BIOMEDICINE (2005)
Metabolomics, machine learning and modelling: towards an understanding of the language of cells
DB Kell
BIOCHEMICAL SOCIETY TRANSACTIONS (2005)
Early extreme contradictory estimates may appear in published research: The Proteus phenomenon in molecular genetics research and randomized trials
JPA Ioannidis et al.
JOURNAL OF CLINICAL EPIDEMIOLOGY (2005)
NMR-based metabonomic approaches for evaluating physiological influences on biofluid composition
ME Bollard et al.
NMR IN BIOMEDICINE (2005)
Metabolic characterization of distinct neuroanatomical regions in rats by magic angle spinning 1H nuclear magnetic resonance spectroscopy
TM Tsang et al.
MAGNETIC RESONANCE IN MEDICINE (2005)
Gut microorganisms, mammalian metabolism and personalized health care
JK Nicholson et al.
NATURE REVIEWS MICROBIOLOGY (2005)
Shotgun lipidomics: Electrospray ionization mass spectrometric analysis and quantitation of cellular lipidomes directly from crude extracts of biological samples
XL Han et al.
MASS SPECTROMETRY REVIEWS (2005)
GMD@CSB.DB:: the Golm Metabolome Database
J Kopka et al.
BIOINFORMATICS (2005)
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
X Su et al.
BIOCHEMISTRY (2005)
Metabolomic analysis and signatures in motor neuron disease
Steve Rozen et al.
METABOLOMICS (2005)
Genetic algorithm optimization for pre-processing and variable selection of spectroscopic data
RM Jarvis et al.
BIOINFORMATICS (2005)
Evaluation of automated electrospray-TOF mass spectrometryfor metabolic fingerprinting of the plant metabolome
W. B. Dunn et al.
METABOLOMICS (2005)
Metabolomics: Current analytical platforms and methodologies
WB Dunn et al.
TRAC-TRENDS IN ANALYTICAL CHEMISTRY (2005)
Tryptophan-NAD+ pathway metabolites as putative biomarkers and predictors of peroxisome proliferation
J Delaney et al.
ARCHIVES OF TOXICOLOGY (2005)
A functional analysis of mouse models of cardiac disease through metabolic profiling
GLAH Jones et al.
JOURNAL OF BIOLOGICAL CHEMISTRY (2005)
High resolution Ultra performance liquid chromatography coupled to oa-TOF mass spectrometry as a tool for differential metabolic pathway profiling in functional genomic studies
ID Wilson et al.
JOURNAL OF PROTEOME RESEARCH (2005)
Comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry (GC x GC-TOF) for high resolution metabolomics: biomarker discovery on spleen tissue extracts of obese NZO compared to lean C57BL/6 mice
Werner Welthagen et al.
METABOLOMICS (2005)
Statistical total correlation spectroscopy:: An exploratory approach for latent biomarker identification from metabolic 1H NMR data sets
O Cloarec et al.
ANALYTICAL CHEMISTRY (2005)
A metabolome pipeline: from concept to data to knowledge
Marie Brown et al.
METABOLOMICS (2005)
GC-MS libraries for the rapid identification of metabolites in complex biological samples
N Schauer et al.
FEBS LETTERS (2005)
Opinion - Bias as a threat to the validity of cancer molecular-marker research
DF Ransohoff
NATURE REVIEWS CANCER (2005)
Mass spectrometry in metabolome analysis
SG Villas-Boas et al.
MASS SPECTROMETRY REVIEWS (2005)
Extraction, interpretation and validation of information for comparing samples in metabolic LC/MS data sets
P Jonsson et al.
ANALYST (2005)
Measuring the metabolome: current analytical technologies
WB Dunn et al.
ANALYST (2005)
UPLC (TM): An introduction and review
ME Swartz
JOURNAL OF LIQUID CHROMATOGRAPHY & RELATED TECHNOLOGIES (2005)
Making sense of the metabolome using evolutionary computation: seeing the wood with the trees
R Goodacre
JOURNAL OF EXPERIMENTAL BOTANY (2005)
Closed-loop, multiobjective optimization of analytical instrumentation: Gas chromatography/time-of-flight mass spectrometry of the metabolomes of human serum and of yeast fermentations
S O'Hagan et al.
ANALYTICAL CHEMISTRY (2005)
Metabolomics by numbers: acquiring and understanding global metabolite data
R Goodacre et al.
TRENDS IN BIOTECHNOLOGY (2004)
Membrane lipids and cell death: an overview
IM Cristea et al.
CHEMISTRY AND PHYSICS OF LIPIDS (2004)
Opinion - Rules of evidence for cancer molecular-marker discovery and validation
DF Ransohoff
NATURE REVIEWS CANCER (2004)
Integrative biological analysis of the APOE*3-Leiden transgenic mouse
CB Clish et al.
OMICS-A JOURNAL OF INTEGRATIVE BIOLOGY (2004)
Effects of feeding and body weight loss on the 1H-NMR-based urine metabolic profiles of male Wistar Han rats:: implications for biomarker discovery
SC Connor et al.
BIOMARKERS (2004)
Defining a metabolic phenotype in the brain of a transgenic mouse model of spinocerebellar ataxia 3
JL Griffin et al.
PHYSIOLOGICAL GENOMICS (2004)
Use of metabonomics to identify impaired fatty acid metabolism as the mechanism of a drug-induced toxicity
RJ Mortishire-Smith et al.
CHEMICAL RESEARCH IN TOXICOLOGY (2004)
A proposed framework for the description of plant metabolomics experiments and their results
H Jenkins et al.
NATURE BIOTECHNOLOGY (2004)
The application of LC-NMR and LC-SPE-NMR to compositional studies of natural organic matter
AJ Simpson et al.
ANALYST (2004)
Metabonomics, dietary influences and cultural differences:: a 1H NMR-based study of urine samples obtained from healthy British and Swedish subjects
EM Lenz et al.
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS (2004)
Development of a multivariate statistical model to predict peroxisome proliferation in the rat, based on urinary 1H-NMR spectral patterns
SC Connor et al.
BIOMARKERS (2004)
An evaluation of orthogonal signal correction methods for the characterisation of arabica and robusta coffee varieties by NIRS
I Esteban-Díez et al.
ANALYTICA CHIMICA ACTA (2004)
Reproducible product-ion tandem mass spectra on various liquid chromatography/mass spectrometry instruments for the development of spectral libraries
AWT Bristow et al.
RAPID COMMUNICATIONS IN MASS SPECTROMETRY (2004)
A common open representation of mass spectrometry data and its application to proteomics research
PGA Pedrioli et al.
NATURE BIOTECHNOLOGY (2004)
Metabolomics and systems biology: making sense of the soup
DB Kell
CURRENT OPINION IN MICROBIOLOGY (2004)
Mass spectrometry sampling under ambient conditions with desorption electrospray ionization
Z Takáts et al.
SCIENCE (2004)
The role of analytical sciences medical systems biology
J van der Greef et al.
CURRENT OPINION IN CHEMICAL BIOLOGY (2004)
Here is the evidence, now what is the hypothesis? The complementary roles of inductive and hypothesis-driven science in the post-genomic era
DB Kell et al.
BIOESSAYS (2004)
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
KK Lehtimäki et al.
JOURNAL OF BIOLOGICAL CHEMISTRY (2003)
Parallel analysis of transcript and metabolic profiles: a new approach in systems biology
E Urbanczyk-Wochniak et al.
EMBO REPORTS (2003)
Reflections on the application of 13C-MRS to research on brain metabolism
P Morris et al.
NMR IN BIOMEDICINE (2003)
Quantitative metabolome analysis using capillary electrophoresis mass spectrometry
T Soga et al.
JOURNAL OF PROTEOME RESEARCH (2003)
Chemical diagnosis of Lesch-Nyhan syndrome using gas chromatography-mass spectrometry detection
C Ohdoi et al.
JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES (2003)
Potential urinary and plasma biomarkersof 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
S Ringeissen et al.
BIOMARKERS (2003)
An hypothesis for a mechanism underlying hepatotoxin-induced hypercreatinuria
TA Clayton et al.
ARCHIVES OF TOXICOLOGY (2003)
Contemporary issues in toxicology - The role of metabonomics in toxicology and its evaluation by the COMET project
JC Lindon et al.
TOXICOLOGY AND APPLIED PHARMACOLOGY (2003)
Genetic associations in large versus small studies: an empirical assessment
JPA Ioannidis et al.
LANCET (2003)
Metabolic profiles of human brain tumors using quantitative in vivo 1H magnetic resonance spectroscopy
FA Howe et al.
MAGNETIC RESONANCE IN MEDICINE (2003)
Automated classification of short echo time in in vivo H-1 brain tumor spectra: A multicenter study
AR Tate et al.
MAGNETIC RESONANCE IN MEDICINE (2003)
High-resolution diffusion and relaxation-edited magic angle spinning H-1 NMR spectroscopy of intact liver tissue
OM Rooney et al.
MAGNETIC RESONANCE IN MEDICINE (2003)
Derivatisation for liquid chromatography/electrospray mass spectrometry: synthesis of pyridinium compounds and their amine and carboxylic acid derivatives
SJ Barry et al.
RAPID COMMUNICATIONS IN MASS SPECTROMETRY (2003)
Peroxisome proliferator-activated receptor α (PPARα) influences substrate utilization for hepatic glucose production
J Xu et al.
JOURNAL OF BIOLOGICAL CHEMISTRY (2002)
Metabolic profiles of dystrophin and utrophin expression in mouse models of Duchenne muscular dystrophy
JL Griffin et al.
FEBS LETTERS (2002)
High-resolution capillary tube NMR.: A miniaturized 5-μL high-sensitivity TXI probe for mass-limited samples, off-line LC NMR, and HT NMR
G Schlotterbeck et al.
ANALYTICAL CHEMISTRY (2002)
Cryogenic probe 13C NMR spectroscopy of urine for metabonomic studies
HC Keun et al.
ANALYTICAL CHEMISTRY (2002)
Hierarchical organization of modularity in metabolic networks
E Ravasz et al.
SCIENCE (2002)
Flow-injection electrospray ionization mass spectrometry of crude cell extracts for high-throughput bacterial identification
S Vaidyanathan et al.
JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY (2002)
Metabolomics - the link between genotypes and phenotypes
O Fiehn
PLANT MOLECULAR BIOLOGY (2002)
Metabolic profiling using direct infusion electrospray ionisation mass spectrometry for the characterisation of olive oils
R Goodacre et al.
ANALYST (2002)
Metabolic profiling of rodent biological fluids via H-1 NMR spectroscopy using a 1 mm microlitre probe
JL Griffin et al.
ANALYST (2002)
Evaluation of protocols for reproducible electrospray in-source collisionally induced dissociation on various liquid chromatography/mass spectrometry instruments and the development of spectral libraries
AWT Bristow et al.
RAPID COMMUNICATIONS IN MASS SPECTROMETRY (2002)
Modeling the heart - from genes to cells to the whole organ
D Noble
SCIENCE (2002)
Orthogonal projections to latent structures (O-PLS)
J Trygg et al.
JOURNAL OF CHEMOMETRICS (2002)
Some recent developments in PLS modeling
S Wold et al.
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS (2001)
Abnormal lipid profile of dystrophic cardiac tissue as demonstrated by one- and two-dimensional magic-angle spinning 1H NMR spectroscopy
JL Griffin et al.
MAGNETIC RESONANCE IN MEDICINE (2001)
Metabolic profiling of genetic disorders:: A multitissue 1H nuclear magnetic resonance spectroscopic and pattern recognition study into dystrophic tissue
JL Griffin et al.
ANALYTICAL BIOCHEMISTRY (2001)
Direct orthogonal signal correction
JA Westerhuis et al.
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS (2001)
Non-destructive quantitation of spermine in human prostate tissue samples using HRMAS 1H NMR spectroscopy at 9.4 T
LL Cheng et al.
FEBS LETTERS (2001)
Warmr: a data mining tool for chemical data
RD King et al.
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN (2001)
A functional genomics strategy that uses metabolome data to reveal the phenotype of silent mutations
LM Raamsdonk et al.
NATURE BIOTECHNOLOGY (2001)
The biochemical profile of rat testicular tissue as measured by magic angle spinning 1H NMR spectroscopy
JL Griffin et al.
FEBS LETTERS (2000)
Metabolite profiling for plant functional genomics
O Fiehn et al.
NATURE BIOTECHNOLOGY (2000)
The large-scale organization of metabolic networks
H Jeong et al.
NATURE (2000)
Orthogonal signal correction, wavelet analysis, and multivariate calibration of complicated process fluorescence data
L Eriksson et al.
ANALYTICA CHIMICA ACTA (2000)