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19F-NMR and directly coupled HPLC-NMR-MS investigations into the metabolism of 2-bromo-4- trifluoromethylaniline in rat: a urinary excretion balance study without the use of radiolabelling ⬇️

artículo científico publicado el 1 de abril de 1998

1H NMR spectroscopy-based interventional metabolic phenotyping: a cohort study of rheumatoid arthritis patients.

artículo científico publicado en 2010

A Metabolic Entropy Approach for Measurements of Systemic Metabolic Disruptions in Patho-Physiological States

artículo científico publicado en 2010

A Rapid and Facile Method for the Dereplication of Purified Natural Products ⬇️

artículo científico publicado el 1 de diciembre de 2001

A Unified Conceptual Framework for Metabolic Phenotyping in Diagnosis and Prognosis

artículo científico publicado en 2019

A comparison of human serum and plasma metabolites using untargeted 1H NMR spectroscopy and UPLC-MS

artículo científico publicado en 2018

A genome-wide metabolic QTL analysis in Europeans implicates two loci shaped by recent positive selection

artículo científico publicado en 2011

A high-performance liquid chromatography and nuclear magnetic resonance spectroscopy-based analysis of commercially available praziquantel tablets

scientific article published on 23 June 2007

A metabolic system-wide characterisation of the pig: a model for human physiology

article

A statistically rigorous test for the identification of parent-fragment pairs in LC-MS datasets

artículo científico publicado en 2010

A systematic review of the small molecule studies of Osteoarthritis using Nuclear Magnetic Resonance and Mass Spectroscopy

scientific article published on 01 October 2018

A top-down systems biology view of microbiome-mammalian metabolic interactions in a mouse model

artículo científico publicado en 2007

An automatic data reduction and transfer method to aid pattern recognition analysis and classification of NMR spectra

artículo científico publicado el 1 de febrero de 1992

Application of CE-MS to a metabonomics study of human urine from cigarette smokers and non-smokers

artículo científico publicado en 2014

Application of novel solid phase extraction-NMR protocols for metabolic profiling of human urine

artículo científico publicado en 2019

Application of the FLIPSY pulse sequence for increased sensitivity in 1H NMR-based metabolic profiling studies

artículo científico publicado en 2008

Assessment of Analytical Reproducibility of1H NMR Spectroscopy Based Metabonomics for Large-Scale Epidemiological Research: the INTERMAP Study

artículo científico publicado en 2006

Bile UPLC-MS fingerprinting and bile acid fluxes during human liver transplantation

article

Can joint fluid metabolic profiling (or "metabonomics") reveal biomarkers for osteoarthritis and inflammatory joint disease?: A systematic review

scientific article published on 01 March 2020

Chemical shift calibration of 1H MAS NMR liver tissue spectra exemplified using a study of glycine protection of galactosamine toxicity

artículo científico publicado en 2009

Chiral Metabonomics: 1H NMR-Based Enantiospecific Differentiation of Metabolites in Human Urine via Direct Cosolvation with β-Cyclodextrin

article

Cluster analysis statistical spectroscopy using nuclear magnetic resonance generated metabolic data sets from perturbed biological systems

artículo científico publicado en 2009

Colonization-induced host-gut microbial metabolic interaction

artículo científico publicado en 2011

Data-Driven Approach for Metabolite Relationship Recovery in Biological 1H NMR Data Sets Using Iterative Statistical Total Correlation Spectroscopy ⬇️

artículo científico publicado el 16 de febrero de 2011

Detection of urinary drug metabolite (xenometabolome) signatures in molecular epidemiology studies via statistical total correlation (NMR) spectroscopy.

artículo científico publicado en 2007

Determination of the relative NH proton lifetimes of the peptide analogue viomycin in aqueous solution by NMR-based diffusion measurement

artículo científico publicado el 1 de enero de 1999

Determination of the tautomeric equilibria of pyridoyl benzoyl β-diketones in the liquid and solid state through the use of deuterium isotope effects on (1)H and (13)C NMR chemical shifts and spin coupling constants

artículo científico publicado en 2013

Development and Application of Ultra-Performance Liquid Chromatography-TOF MS for Precision Large Scale Urinary Metabolic Phenotyping.

artículo científico publicado en 2016

Development of quantitative structure-metabolism (QSMR) relationships for substituted anilines based on computational chemistry

artículo científico publicado en 2013

Differences between infected and noninfected synovial fluid

Differences in the composition of hip and knee synovial fluid in osteoarthritis: a nuclear magnetic resonance (NMR) spectroscopy study of metabolic profiles

scientific article published on 03 September 2019

Diffusion and Relaxation Edited Proton NMR Spectroscopy of Plasma Reveals a High-Fidelity Supramolecular Biomarker Signature of SARS-CoV-2 Infection

scientific article published in 2021

Directly Coupled HPLC-NMR and Its Application to Drug Metabolism ⬇️

artículo científico publicado el 1 de agosto de 1997

Dynamic biochemical information recovery in spontaneous human seminal fluid reactions via 1H NMR kinetic statistical total correlation spectroscopy

artículo científico publicado en 2009

Evaluation of full-resolution J-resolved 1H NMR projections of biofluids for metabonomics information retrieval and biomarker identification

artículo científico publicado en 2010

Evaluation of high resolution magic-angle coil spinning NMR spectroscopy for metabolic profiling of nanoliter tissue biopsies

article

First example of hepatocyte transplantation to alleviate ornithine transcarbamylase deficiency, monitored by NMR-based metabonomics

artículo científico publicado en 2009

Genetic algorithms for simultaneous variable and sample selection in metabonomics

artículo científico publicado en 2008

HILIC-UPLC-MS for Exploratory Urinary Metabolic Profiling in Toxicological Studies

article

Heteronuclear 19F-1H statistical total correlation spectroscopy as a tool in drug metabolism: study of flucloxacillin biotransformation

artículo científico publicado en 2008

Heteronuclear 1H-31P statistical total correlation NMR spectroscopy of intact liver for metabolic biomarker assignment: application to galactosamine-induced hepatotoxicity

artículo científico publicado en 2007

High-performance liquid chromatography/mass spectrometric and proton nuclear magnetic resonance spectroscopic studies of the transacylation and hydrolysis of the acyl glucuronides of a series of phenylacetic acids in buffer and human plasma

artículo científico publicado en 2010

High-resolution 1H NMR spectroscopic investigation of a chick embryo model of neural tube development

artículo científico publicado en 2009

High-resolution magic-angle-spinning NMR spectroscopy for metabolic profiling of intact tissues

artículo científico publicado en 2010

Human metabolic phenotypes link directly to specific dietary preferences in healthy individuals

artículo científico publicado en 2007

Human metabolic profiles are stably controlled by genetic and environmental variation

artículo científico publicado en 2011

Hyperspectral visualization of mass spectrometry imaging data.

artículo científico publicado en 2013

Identification of human urinary biomarkers of cruciferous vegetable consumption by metabonomic profiling

artículo científico publicado en 2011

Identification of metabolites in human hepatic bile using 800 MHz 1H NMR spectroscopy, HPLC-NMR/MS and UPLC-MS.

artículo científico publicado en 2008

Identifying unknown metabolites using NMR-based metabolic profiling techniques

artículo científico publicado en 2020

Improved Spatial Resolution of Metabolites in Tissue Biopsies Using High-Resolution Magic-Angle-Spinning Slice Localization NMR Spectroscopy

artículo científico publicado en 2020

Improving Visualization and Interpretation of Metabolome-Wide Association Studies: An Application in a Population-Based Cohort Using Untargeted 1H NMR Metabolic Profiling.

artículo científico publicado en 2017

Incomplete Systemic Recovery and Metabolic Phenoreversion in Post-Acute-Phase Nonhospitalized COVID-19 Patients: Implications for Assessment of Post-Acute COVID-19 Syndrome

Integrated Analytical and Statistical Two-Dimensional Spectroscopy Strategy for Metabolite Identification: Application to Dietary Biomarkers. ⬇️

artículo científico publicado en 2017

Intra- and Interlaboratory Reproducibility of Ultra Performance Liquid Chromatography–Time-of-Flight Mass Spectrometry for Urinary Metabolic Profiling

article

Investigation of the metabolism of 14C/13C-practolol in rat using directly coupled radio-HPLC-NMR-MS

J-Resolved 1H NMR 1D-Projections for Large-Scale Metabolic Phenotyping Studies: Application to Blood Plasma Analysis.

artículo científico publicado en 2017

Kinetic and J-resolved statistical total correlation NMR spectroscopy approaches to structural information recovery in complex reacting mixtures: application to acyl glucuronide intramolecular transacylation reactions

artículo científico publicado en 2008

Kinetic modelling of acyl glucuronide and glucoside reactivity and development of structure-property relationships

scientific article published on 01 February 2020

Large-scale human metabolic phenotyping and molecular epidemiological studies via 1H NMR spectroscopy of urine: investigation of borate preservation

artículo científico publicado en 2009

Liquid chromatography-mass spectrometry methods for urinary biomarker detection in metabonomic studies with application to nutritional studies

artículo científico publicado en 2010

Longitudinal pharmacometabonomics for predicting patient responses to therapy: drug metabolism, toxicity and efficacy

artículo científico publicado en 2012

Low Volume in Vitro Diagnostic Proton NMR Spectroscopy of Human Blood Plasma for Lipoprotein and Metabolite Analysis: Application to SARS-CoV-2 Biomarkers

Magic angle spinning NMR and 1H-31P heteronuclear statistical total correlation spectroscopy of intact human gut biopsies

artículo científico publicado en 2008

Mapping the biochemical trajectory of nephrotoxicity by pattern recognition of NMR urinanalysis

artículo científico publicado el 1 de noviembre de 1992

Measurement of Internal Acyl Migration Reaction Kinetics Using Directly Coupled HPLC−NMR: Application for the Positional Isomers of Synthetic (2-Fluorobenzoyl)-d-glucopyranuronic Acid ⬇️

artículo científico publicado el 1 de agosto de 1996

Mechanistic aspects and novel biomarkers of responder and non-responder phenotypes in galactosamine-induced hepatitis

artículo científico publicado en 2009

Metabolic Phenotyping in Personalized and Public Healthcare. List of Contributors

section of a book

Metabolic assessment of human liver transplants from biopsy samples at the donor and recipient stages using high-resolution magic angle spinning 1H NMR spectroscopy

artículo científico publicado en 2005

Metabolic phenotyping in clinical and surgical environments

artículo científico publicado en 2012

Metabonomic investigations into the global biochemical sequelae of exposure to the pancreatic toxin 1-cyano-2-hydroxy-3-butene in the rat.

artículo científico publicado en 2009

Multiplatform serum metabolic phenotyping combined with pathway mapping to identify biochemical differences in smokers

artículo científico publicado en 2016

NMR Spectroscopic Windows on the Systemic Effects of SARS-CoV-2 Infection on Plasma Lipoproteins and Metabolites in Relation to Circulating Cytokines

NMR and MS urinary metabolic phenotyping in kidney diseases is fit-for-purpose in the presence of a protease inhibitor

scientific article published on 01 February 2019

NMR spectroscopic studies on the in vitro acyl glucuronide migration kinetics of Ibuprofen ((+/-)-(R,S)-2-(4-isobutylphenyl) propanoic acid), its metabolites, and analogues

artículo científico publicado en 2007

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

artículo científico publicado en 2008

NMR-based metabolic profiling identifies biomarkers of liver regeneration following partial hepatectomy in the rat.

artículo científico publicado en 2010

Non-linear modeling of 1H NMR metabonomic data using kernel-based orthogonal projections to latent structures optimized by simulated annealing

artículo científico publicado en 2011

Omics and its potential impact on R&D and regulation of complex herbal products ⬇️

artículo científico publicado el 10 de abril de 2012

Optimization of human plasma 1H NMR spectroscopic data processing for high-throughput metabolic phenotyping studies and detection of insulin resistance related to type 2 diabetes

artículo científico publicado en 2008

Optimized Phenotypic Biomarker Discovery and Confounder Elimination via Covariate-Adjusted Projection to Latent Structures from Metabolic Spectroscopy Data

artículo científico publicado en 2018

Optimized Preprocessing of Ultra-Performance Liquid Chromatography/Mass Spectrometry Urinary Metabolic Profiles for Improved Information Recovery

article

Panorganismal gut microbiome-host metabolic crosstalk

artículo científico publicado en 2009

Pharmacometabonomic Characterization of Xenobiotic and Endogenous Metabolic Phenotypes That Account for Inter-individual Variation in Isoniazid-Induced Toxicological Response

article

Pharmacometabonomic Investigation of Dynamic Metabolic Phenotypes Associated with Variability in Response to Galactosamine Hepatotoxicity

article

Pharmacometabonomic identification of a significant host-microbiome metabolic interaction affecting human drug metabolism

artículo científico publicado en 2009

Pharmacometabonomics as an effector for personalized medicine.

artículo científico publicado en 2011

Precision High-Throughput Proton NMR Spectroscopy of Human Urine, Serum, and Plasma for Large-Scale Metabolic Phenotyping

article

Prediction and classification of drug toxicity using probabilistic modeling of temporal metabolic data: the consortium on metabonomic toxicology screening approach

artículo científico publicado en 2007

Probiotic modulation of symbiotic gut microbial-host metabolic interactions in a humanized microbiome mouse model

artículo científico publicado en 2008

Processing and modeling of nuclear magnetic resonance (NMR) metabolic profiles

artículo científico publicado en 2011

Proposed minimum reporting standards for chemical analysis

artículo científico publicado en 2007

Quantitative In-Vitro Diagnostic NMR Spectroscopy for Lipoprotein and Metabolite Measurements in Plasma and Serum: Recommendations for Analytical Artefact Minimization with Special Reference to COVID-19/SARS-CoV-2 Samples

scientific article published on 27 August 2020

Quantitative Lipoprotein Subclass and Low Molecular Weight Metabolite Analysis in Human Serum and Plasma by 1H NMR Spectroscopy in a Multilaboratory Trial

scientific article published on 27 September 2018

Recursive segment-wise peak alignment of biological (1)h NMR spectra for improved metabolic biomarker recovery

artículo científico publicado en 2009

Robust algorithms for automated chemical shift calibration of 1D 1H NMR spectra of blood serum

artículo científico publicado en 2008

Robust data processing and normalization strategy for MALDI mass spectrometric imaging

artículo científico publicado en 2012

Self-modeling curve resolution recovery of temporal metabolite signal modulation in NMR spectroscopic data sets: application to a life-long caloric restriction study in dogs

artículo científico publicado en 2008

Seminal oligouridinosis: low uridine secretion as a biomarker for infertility in spinal neurotrauma

artículo científico publicado en 2008

Serum metabolic signatures of coronary and carotid atherosclerosis and subsequent cardiovascular disease

artículo científico publicado en 2019

Species variation in the fecal metabolome gives insight into differential gastrointestinal function

artículo científico publicado en 2007

Spectroscopic and statistical methods in metabonomics

scientific article published on December 2009

Spectroscopic and statistical techniques for information recovery in metabonomics and metabolomics

scientific article published on January 2008

Stability and Robustness of Human Metabolic Phenotypes in Response to Sequential Food Challenges

article

Statistical spectroscopic tools for biomarker discovery and systems medicine

artículo científico

Statistical total correlation spectroscopy editing of 1H NMR spectra of biofluids: application to drug metabolite profile identification and enhanced information recovery.

artículo científico publicado en 2009

Statistical total correlation spectroscopy scaling for enhancement of metabolic information recovery in biological NMR spectra

artículo científico publicado en 2011

Subset Optimization by Reference Matching (STORM): An Optimized Statistical Approach for Recovery of Metabolic Biomarker Structural Information from 1H NMR Spectra of Biofluids

article

Synthesis of a series of phenylacetic acid 1-β-O-acyl glucosides and comparison of their acyl migration and hydrolysis kinetics with the corresponding acyl glucuronides

artículo científico publicado en 2010

Synthesis, transacylation kinetics and computational chemistry of a set of arylacetic acid 1beta-O-acyl glucuronides.

artículo científico publicado en 2009

Systems biology: Metabonomics

artículo científico publicado en 2008

Targeting the human genome-microbiome axis for drug discovery: inspirations from global systems biology and traditional Chinese medicine.

artículo científico

Temporal metabonomic modeling of l-arginine-induced exocrine pancreatitis

artículo científico publicado en 2008

The conformational behaviour of the cardiac glycoside digoxin as indicated by NMR spectroscopy and molecular dynamics calculations

artículo científico publicado el 16 de junio de 1992

The emergent role of metabolic phenotyping in dynamic patient stratification

artículo científico publicado en 2014

The influence of EDTA and citrate anticoagulant addition to human plasma on information recovery from NMR-based metabolic profiling studies

artículo científico publicado en 2009

The urinary proteome and metabonome differ from normal in adults with mitochondrial disease

article

Three-Dimensional Maximum-Quantum Correlation HMQC NMR Spectroscopy (3D MAXY-HMQC) ⬇️

artículo científico publicado el 1 de noviembre de 1997

Top-down systems biology integration of conditional prebiotic modulated transgenomic interactions in a humanized microbiome mouse model

artículo científico publicado en 2008

Topographical variation in metabolic signatures of human gastrointestinal biopsies revealed by high-resolution magic-angle spinning 1H NMR spectroscopy

artículo científico publicado en 2007

Topographical variation in murine intestinal metabolic profiles in relation to microbiome speciation and functional ecological activity.

artículo científico publicado en 2009

Topological analysis of metabolic networks integrating co-segregating transcriptomes and metabolomes in type 2 diabetic rat congenic series

artículo científico publicado en 2016

UPLC-MS metabolic profiling of second trimester amniotic fluid and maternal urine and comparison with NMR spectral profiling for the identification of pregnancy disorder biomarkers

article

Ultra performance liquid chromatography-mass spectrometry profiling of bile acid metabolites in biofluids: application to experimental toxicology studies.

artículo científico publicado en 2010

Untargeted Metabolome Quantitative Trait Locus Mapping Associates Variation in Urine Glycerate to Mutant Glycerate Kinase

article

Urinary metabolic phenotyping differentiates children with autism from their unaffected siblings and age-matched controls

artículo científico publicado en 2010

Urinary metabolites of 2-bromoethanamine identified by stable isotope labelling: evidence for carbamoylation and glutathione conjugation

article

Workflow for Integrated Processing of Multicohort Untargeted 1H NMR Metabolomics Data in Large-Scale Metabolic Epidemiology

artículo científico publicado en 2016

¹H NMR-based metabonomics for investigating diabetes

scientific article published on July 2009

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