Metabolic fingerprinting of rat urine by LC/MS Part 2. Data pretreatment methods for handling of complex data.

No abstract is available for this paper.

• Publication year

  2005

• Venue

  Journal of chromatography. B, Analytical technologies in the biomedical and life sciences

• Publication date

  2005-12-15

• Fields of study

  Medicine, Chemistry

• Identifiers
  DOI 10.1016/J.JCHROMB.2005.07.049PMID 16198158
• External record

  Open on Semantic Scholar

• Source metadata

  Semantic Scholar, PubMed

• No claims are published for this paper.

• No concepts are published for this paper.

• Pretreatment of mass spectral profiles: application to proteomic data.

  2007cited by this paper
• Metabolomics technologies and metabolite identification

  2007cited by this paper
• Evaluation of different techniques for data fusion of LC/MS and 1H-NMR

  2007cited by this paper
• The evolution of protein expression and cell culture

  2007cited by this paper
• Effect of Sub‐2‐Micron Particle Size on Peak Efficiency, Capacity, and Resolution in Preparative Liquid Chromatography

  2007cited by this paper
• The role of mass spectrometry in structure elucidation of dynamic protein complexes.

  2007cited by this paper
• The challenge of breath analysis for clinical diagnosis and therapeutic monitoring.

  2007cited by this paper
• A novel approach for screening the proteome for changes in protein conformation.

  2006cited by this paper
• Folding kinetics of the S100A11 protein dimer studied by time-resolved electrospray mass spectrometry and pulsed hydrogen-deuterium exchange.

  2006cited by this paper
• Post-translational modifications in the context of therapeutic proteins

  2006cited by this paper
• Scaling and normalization effects in NMR spectroscopic metabonomic data sets.

  2006cited by this paper
• Development of antibodies for cancer therapy

  2006cited by this paper
• Mass measurements of increased accuracy resolve heterogeneous populations of intact ribosomes.

  2006cited by this paper
• Statistical and Computational Methods for Comparative Proteomic Profiling Using Liquid Chromatography-Tandem Mass Spectrometry

  2005cited by this paper
• A comparison of methods for alignment of NMR peaks in the context of cluster analysis.

  2005cited by this paper
• Metabolic fingerprinting of rat urine by LC/MS Part 1. Analysis by hydrophilic interaction liquid chromatography-electrospray ionization mass spectrometry.

  2005cited by this paper
• Gas phase ion chemistry and measurements of macromolecular properties in solution.

  2005cited by this paper
• Evidence for Macromolecular Protein Rings in the Absence of Bulk Water

  2005cited by this paper
• Kinetic unfolding mechanism of the inducible nitric oxide synthase oxygenase domain determined by time-resolved electrospray mass spectrometry.

  2005cited by this paper
• Discriminant Analysis and Statistical Pattern Recognition

  2005cited by this paper
• Interpreting conformational effects in protein nano-ESI-MS spectra

  2004cited by this paper
• A comprehensive picture of non-site specific oxidation of methionine residues by peroxides in protein pharmaceuticals.

  2004cited by this paper
• Collisional cooling of large ions in electrospray mass spectrometry.

  2004cited by this paper
• Variance Reduction in Analytical Chemistry : New Numerical Methods in Chemometrics and Molecular Simulation

  2004cited by this paper
• Multivariate approaches for efficient detection of potential metabolites from liquid chromatography/mass spectrometry data.

  2004cited by this paper
• Separation of Polar and Hydrophilic Compounds Using a Zwitterionic Stationary Phase in Hydrophilic Interaction Liquid Chromatography

  2004cited by this paper
• Screening of biomarkers in rat urine using LC/electrospray ionization-MS and two-way data analysis.

  2003cited by this paper
• Classification of lactate dehydrogenase of different origin by liquid chromatography-mass spectrometry and multivariate analysis

  2003cited by this paper
• Conformational Analysis of Proteins and Peptides

  2003cited by this paper
• Advanced Molecular Characterization by Mass Spectrometry: Applications for Petroleum and Petrochemicals

  2003cited by this paper
• Electrospray-Ionization Mass Spectrometry for Protein Conformational Studies

  2003cited by this paper
• Proteomics in drug discovery.

  2002cited by this paper
• Metabonomics: the use of electrospray mass spectrometry coupled to reversed-phase liquid chromatography shows potential for the screening of rat urine in drug development.

  2002cited by this paper
• Combining Genomics, Metabolome Analysis, and Biochemical Modelling to Understand Metabolic Networks

  2001cited by this paper
• PLS-regression: a basic tool of chemometrics

  2001cited by this paper
• Resolution of two-way data from hyphenated chromatography by means of elementary matrix transformations

  2000cited by this paper
• Electrospray ionization of large multiply charged species proceeds via Dole’s charged residue mechanism

  2000cited by this paper
• The Electron Multiplier

  2000cited by this paper
• A brief overview of the present status of the mechanisms involved in electrospray mass spectrometry.

  2000cited by this paper
• Analytical Solid-Phase Extraction

  1999cited by this paper
• Hydrogen exchange properties of proteins in native and denatured states monitored by mass spectrometry and NMR

  1997cited by this paper
• Cationic Amphiphilic Drug-Induced Phospholipidosis

  1997cited by this paper
• Electrospray: Principles and Practice

  1997cited by this paper
• Hydrogen exchange: The modern legacy of Linderstrøm‐Lang

  1997cited by this paper
• ‘Wrong‐way‐round’ Electrospray Ionization of Amino Acids

  1997cited by this paper
• PARAFAC. Tutorial and applications

  1997cited by this paper
• Analytical properties of the nanoelectrospray ion source.

  1996cited by this paper
• Hierarchical multiblock PLS and PC models for easier model interpretation and as an alternative to variable selection

  1996cited by this paper
• Oxidation of methionyl residues in proteins: tools, targets, and reversal.

  1995cited by this paper
• Disparity between solution‐phase equilibria and charge state distributions in positive‐ion electrospray mass spectrometry

  1994cited by this paper
• Conformation of cytochrome c studied by deuterium exchange-electrospray ionization mass spectrometry.

  1994cited by this paper
• From ions in solution to ions in the gas phase - the mechanism of electrospray mass spectrometry

  1993cited by this paper
• Heuristic evolving latent projections: resolving two-way multicomponent data. 1. Selectivity, latent-projective graph, datascope, local rank, and unique resolution

  1992cited by this paper
• Are the electrospray mass spectra of proteins related to their aqueous solution chemistry?

  1992cited by this paper
• A User's Guide to Principal Components.

  1991cited by this paper
• Conformational changes in proteins probed by hydrogen-exchange electrospray-ionization mass spectrometry.

  1991cited by this paper
• Cationic amphiphilic drugs and phospholipid storage disorder.

  1990cited by this paper
• Electrospray ionization–principles and practice

  1990cited by this paper
• Electrospray ionization mass spectrometric peptide mapping: a rapid, sensitive technique for protein structure analysis.

  1990cited by this paper
• Sample preparation for the HPLC analysis of drugs in biological fluids.

  1989cited by this paper
• Sample preparation for biomedical analysis.

  1989cited by this paper
• Laser desorption ionization of proteins with molecular masses exceeding 10,000 daltons.

  1988cited by this paper
• The Electrohydrodynamic Atomization of Liquids

  1986cited by this paper
• Electrospray Ion Source. Another Variation on the Free-Jet Theme

  1984cited by this paper
• Proteins: Structures and molecular principles

  1983cited by this paper
• High Resolution NMR Experiments for Studies of Protein Conformations

  1982cited by this paper
• On the evaporation of small ions from charged droplets

  1976cited by this paper
• Picture of proteins by x-ray diffraction

  1968cited by this paper
• Some mathematical notes on three-mode factor analysis

  1966cited by this paper
• Disintegration of water drops in an electric field

  1964cited by this paper

• Detection of Uric Acid in UV-VIS wavelength Regime

  2023cites this paper
• Advances in Hydrophilic Interaction Liquid Chromatography

  2017cites this paper
• A Conversation on Data Mining Strategies in LC-MS Untargeted Metabolomics: Pre-Processing and Pre-Treatment Steps

  2016cites this paper
• HILIC-MS for metabolomics: An attractive and complementary approach to RPLC-MS.

  2016cites this paper
• Methods used to increase the comprehensive coverage of urinary and plasma metabolomes by MS.

  2016cites this paper
• Cistanches identification based on fluorescent spectral imaging technology combined with principal component analysis and artificial neural network

  2015cites this paper
• Enhancing detection coverage in untargeted metabolomics analysis by solid‐phase extraction on‐line coupled to LC–MS/MS

  2015cites this paper
• Untargeted UPLC-MS Profiling Pipeline to Expand Tissue Metabolome Coverage: Application to Cardiovascular Disease

  2015cites this paper
• Metabolite profiling of anhuienoside C by rat intestinal bacteria using the LC–MS metabolomic approach

  2015cites this paper
• Otimização e caracterização química de extrato de amora preta (Rubus fruticosus var. Lochness) e seu efeito sobre a dieta hiperlipídica em ratos mediante análise metabolômica

  2014cites this paper
• Global metabolic profiling using ultra-performance liquid chromatography/quadrupole time-of-flight mass spectrometry.

  2014cites this paper
• Metabolomic Studies Using High Performance Liquid Chromatography and Tandem Mass Spectrometry to Discover Quality Markers for Oriental Beauty (Dongfang Meiren) Tea

  2014cites this paper
• Development of metabolic analytical platforms for the characterization of uremic retention compounds

  2014cites this paper
• Plasma metabolic profiling of normal and dysmenorrhea syndrome rats and the effects of Xiang–Fu–Si–Wu Decoction intervention

  2014cites this paper
• Time-saving design of experiment protocol for optimization of LC-MS data processing in metabolomic approaches.

  2013cites this paper
• From numbers to a biological sense: How the strategy chosen for metabolomics data treatment may affect final results. A practical example based on urine fingerprints obtained by LC‐MS

  2013cites this paper
• Metabolomics as a potential new approach for investigating human reproductive disorders.

  2013cites this paper
• Metabolomic profiling as a useful tool for diagnosis and treatment of chronic disease: focus on obesity, diabetes and cardiovascular diseases

  2013cites this paper
• Comprehensive two-dimensional liquid chromatography — practical impacts of theoretical considerations. A review

  2012cites this paper
• Sampling and Sample Preparation for LC-MS-Based Metabonomics/Metabolomics of Samples of Mammalian Origin

  2012cites this paper
• Discovery of common urinary biomarkers for hepatotoxicity induced by carbon tetrachloride, acetaminophen and methotrexate by mass spectrometry‐based metabolomics

  2012cites this paper
• Investigations on the chromatographic behaviour of zwitterionic stationary phases used in hydrophilic interaction chromatography.

  2011cites this paper
• Clinical Applications of Hydrophilic Interaction Liquid Chromatography

  2011cites this paper
• Pre-processing and analysis of high-dimensional plant metabolomics data

  2011cites this paper
• Evaluation of instrumental methods for the untargeted analysis of chemical stimuli of orange juice flavour

  2011cites this paper
• Chemical Qualitative Analysis II

  2011cites this paper
• UHPLC-TOFMS coupled with chemometric method as a powerful technique for rapid exploring of differentiating components between two Ziziphus species.

  2011cites this paper
• Metabolomic profiling of biomarkers of liver X receptor-induced toxicity in mouse liver tissue

  2011cites this paper
• Prediction of mandarin juice flavor: a flavoromic approach.

  2011cites this paper
• Stationary and mobile phases in hydrophilic interaction chromatography: a review.

  2011cites this paper
• European analytical criteria: past, present, and future.

  2011cites this paper
• Mass spectrometry-based holistic analytical approaches for metabolite profiling in systems biology studies.

  2011cites this paper
• HILIC-UPLC-MS for exploratory urinary metabolic profiling in toxicological studies.

  2011cites this paper
• Metabonomic Study of Lung Cancer and the Effects of Radiotherapy on Lung Cancer Patients: Analysis of Highly Polar Metabolites by Ultraperformance HILIC Coupled with Q-TOF MS

  2011cites this paper
• Metabolic profiling of GuanXin II prescription based on metabolic fingerprinting and chemical analysis.

  2011cites this paper
• Time-course changes in potential biomarkers detected using a metabonomic approach in Walker 256 tumor-bearing rats.

  2011cites this paper
• Non-target Identification. Chromatography and Spectrometry

  2011cites this paper
• Bile UPLC‐MS fingerprinting and bile acid fluxes during human liver transplantation

  2011cites this paper
• Biomarker discovery in biological specimens (plasma, hair, liver and kidney) of diabetic mice based upon metabolite profiling using ultra-performance liquid chromatography with electrospray ionization time-of-flight mass spectrometry.

  2011cites this paper
• ALGORITHMIC TECHNIQUES EMPLOYED IN THE QUANTIFICATION AND CHARACTERIZATION OF NUCLEAR MAGNETIC RESONANCE SPECTROSCOPIC DATA

  2010cites this paper
• Développement de l'approche métabolomique par couplage chromatographie liquide / spectrométrie de masse : application à la nutrition

  2010cites this paper
• Hydrophilic interaction chromatography coupled to MS for metabonomic/metabolomic studies.

  2010cites this paper
• Knowledge discovery in metabolomics: an overview of MS data handling.

  2010cites this paper
• Discovery of safety biomarkers for atorvastatin in rat urine using mass spectrometry based metabolomics combined with global and targeted approach.

  2010cites this paper
• Lysophosphatidylcholine profiling of plasma: discrimination of isomers and discovery of lung cancer biomarkers

  2010cites this paper
• ChroMATHography: solving chromatographic issues with mathematical models and intuitive graphics.

  2010cites this paper
• Practical analytical approach for the identification of biomarker candidates in prediabetic state based upon metabonomic study by ultraperformance liquid chromatography coupled to electrospray ionization time-of-flight mass spectrometry.

  2010cites this paper
• Pattern extraction of structural responses of gut microbiota to rotavirus infection via multivariate statistical analysis of clone library data.

  2009cites this paper
• Metabolite signal identification in accurate mass metabolomics data with MZedDB, an interactive m/z annotation tool utilising predicted ionisation behaviour 'rules'

  2009cites this paper
• Comparison of differential mobility spectrometry and mass spectrometry for gas chromatographic detection of ignitable liquids from fire debris using projected difference resolution

  2009cites this paper
• Normalization strategies for metabonomic analysis of urine samples.

  2009cites this paper
• Analysis of highly polar metabolites in human plasma by ultra-performance hydrophilic interaction liquid chromatography coupled with quadrupole-time of flight mass spectrometry.

  2009cites this paper
• Methods for structural studies of an antibody, screening metabolites in rat urine and analysis of spent cell cultivation media using LC/ESI-MS and chemometrics

  2009cites this paper
• Separation with zwitterionic hydrophilic interaction liquid chromatography improves protein identification by matrix-assisted laser desorption/ionization-based proteomic analysis.

  2009cites this paper
• Accurate mass error correction in liquid chromatography time-of-flight mass spectrometry based metabolomics

  2008cites this paper
• LC-MS Metabonomics Methodology in Biomarker Discovery

  2008cites this paper
• Metabolomic investigation of the response of the model plant Arabidopsis thaliana to cadmium exposure: Evaluation of data pretreatment methods for further statistical analyses

  2008cites this paper
• Stationary phases for hydrophilic interaction chromatography, their characterization and implementation into multidimensional chromatography concepts.

  2008cites this paper
• Conformational studies of a monoclonal antibody, IgG1, by chemical oxidation: structural analysis by ultrahigh-pressure LC-electrospray ionization time-of-flight MS and multivariate data analysis.

  2008cites this paper
• LC-MS-based metabonomics analysis.

  2008cites this paper
• Hydrophilic interaction chromatography of small metal species in plants using sulfobetaine- and phosphorylcholine-type zwitterionic stationary phases.

  2008cites this paper
• The advantages of ESI-MS detection in conjunction with HILIC mode separations: Fundamentals and applications.

  2008cites this paper
• 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.

  2008cites this paper
• Mass spectrometry-based metabolomics: accelerating the characterization of discriminating signals by combining statistical correlations and ultrahigh resolution.

  2008cites this paper
• Separation efficiencies in hydrophilic interaction chromatography.

  2008cites this paper
• Target selection for alignment of chromatographic signals obtained using monochannel detectors.

  2007cites this paper
• Hydrophilic interaction chromatography for mass spectrometric metabonomic studies of urine.

  2007cites this paper
• Data processing for mass spectrometry-based metabolomics.

  2007cites this paper
• Identification and determination of four metabolites of mangiferin in rat urine.

  2007cites this paper
• The European Nutrigenomics Organisation TOOLS AND METHODS FOR MASS SPECTROMETRY METABOLOMICS IN NUTRITION December 12-14, 2007 Clermont-Ferrand, France

  2007cites this paper
• Identifying potential biomarkers in LC‐MS data

  2007cites this paper
• A gender-specific discriminator in Sprague-Dawley rat urine: the deployment of a metabolic profiling strategy for biomarker discovery and identification.

  2007cites this paper
• Metabolic profiling of rat hair and screening biomarkers using ultra performance liquid chromatography with electrospray ionization time-of-flight mass spectrometry.

  2007cites this paper
• An untargeted metabolomics approach to contaminant analysis: pinpointing potential unknown compounds.

  2007cites this paper
• Untargeted large-scale plant metabolomics using liquid chromatography coupled to mass spectrometry

  2007cites this paper
• Nonlinear data alignment for UPLC-MS and HPLC-MS based metabolomics: quantitative analysis of endogenous and exogenous metabolites in human serum.

  2006cites this paper
• Recent Developments in Multivariate Calibration

  2006cites this paper
• Hydrophilic interaction chromatography.

  2006cites this paper
• Metabolic profiling technologies for biomarker discovery in biomedicine and drug development.

  2006cites this paper
• USE AND ABUSE OF CHEMOMETRICS IN CHROMATOGRAPHY

  2006cites this paper
• Metabolic fingerprinting of rat urine by LC/MS Part 1. Analysis by hydrophilic interaction liquid chromatography-electrospray ionization mass spectrometry.

  2005cites this paper