Abstract
Anthony C. Dona, Michael Kyriakides, Flora Scott, Elizabeth A. Shephard, Dorsa Varshavi, Kirill Veselkov, Jeremy R. Everett
Abstract
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Metabonomics: metabolic processes studied by NMR spectroscopy of biofluids
10.1002/1099-0534(2000)12:5<289::aid-cmr3>3.0.co;2-w · 2000
10.1023/a:1013713905833
10.1023/a:1013713905833
10.1016/b978-044452841-4/50020-5
10.1016/b978-044452841-4/50020-5
10.1038/nature04648
10.1038/nature04648
10.1073/pnas.0904489106
10.1073/pnas.0904489106
Pharmacometabonomics and personalized medicine
10.1177/0004563213497929 · 2013
Pharmacometabonomics in humans: a new tool for personalized medicine
10.2217/pgs.15.20 · 2015
10.1038/nprot.2007.376
10.1038/nprot.2007.376
10.1007/s11306-014-0707-1
10.1007/s11306-014-0707-1
Scaling and normalization effects in NMR spectroscopic metabonomic data sets
10.1021/ac0519312 · 2006
OPLS discriminant analysis: combining the strengths of PLS-DA and SIMCA classification
Confidence 98%
europepmc
Confidence 96%
unpaywall
Confidence 95%
doaj
Confidence 92%
datacite
Confidence 0%
10.1002/cem.1006 · 2006
10.1021/ac5025039
10.1021/ac5025039
Subset Optimization by Reference Matching (STORM): an optimized statistical approach for recovery of metabolic biomarker structural information from H-1 NMR spectra of biofluids
10.1021/ac302360v · 2012
The human urine metabolome
10.1371/journal.pone.0073076 · 2013
10.1007/s11306-013-0524-y
10.1007/s11306-013-0524-y
10.1007/s11306-014-0746-7
10.1007/s11306-014-0746-7
Impact of analytical bias in metabonomic studies of human blood serum and plasma
10.1021/ac051972y · 2006
Human plasma stability during handling and storage: impact on NMR metabolomics
10.1039/c3an02188b · 2014
Descriptive review of current NMR-based metabolomic data analysis packages
10.1016/j.pnmrs.2011.02.001 · 2011
Global metabolic profiling procedures for urine using UPLC–MS
10.1038/nprot.2010.50 · 2010
Evaluation of full-resolution J-resolved 1H NMR projections of biofluids for metabonomics information retrieval and biomarker identification
10.1021/ac902443k · 2010
Two-dimensional J-resolved NMR Spectroscopy: review of a key methodology in the metabolomics toolbox
10.1002/pca.1186 · 2010
Metabolite identification via the Madison metabolomics consortium database
10.1038/nbt0208-162 · 2008
MetaboHunter: an automatic approach for identification of metabolites from H-1-NMR spectra of complex mixtures
10.1186/1471-2105-12-400 · 2011
Structural elucidation of low abundant metabolites in complex sample matrices
10.1007/s11306-013-0519-8 · 2013
A strategy for fast structural elucidation of metabolites in small volume plant extracts using automated MS-guided LC–MS-SPE-NMR
2011
An efficient spectra processing method for metabolite identification from H-1-NMR metabolomics data
10.1007/s00216-013-6852-y · 2013
10.4155/bio.11.155
10.4155/bio.11.155
10.1007/s11306-012-0434-4
10.1007/s11306-012-0434-4
10.5936/csbj.201301005
10.5936/csbj.201301005
Automated pipeline for de novo metabolite identification using mass-spectrometry-based metabolomics
10.1021/ac303218u · 2013
Database searching for structural identification of metabolites in complex biofluids for mass spectrometry-based metabonomics
10.4155/bio.09.145 · 2009
Mass spectrometry-based holistic analytical approaches for metabolite profiling in systems biology studies
10.1002/mas.20306 · 2011
Advances in structure elucidation of small molecules using mass spectrometry
10.1007/s12566-010-0015-9 · 2010
Unresolved referenced work
2009
Unresolved referenced work
2008
Unresolved referenced work
2010
Unresolved referenced work
2013
Robust algorithms for automated chemical shift calibration of 1D H-1 NMR spectra of blood serum
10.1021/ac8011494 · 2008
Internal temperature calibration for H-1-NMR spectroscopy studies of blood-plasma and other biofluids
10.1002/nbm.1940070508 · 1994
Statistical spectroscopic tools for biomarker discovery and systems medicine
10.1021/ac4007254 · doi-reference
Extraction for metabolomics: access to the metabolome
10.1002/pca.2505 · doi-reference
Salting-out assisted liquid–liquid extraction for bioanalysis
10.4155/bio.13.117 · doi-reference
10.1016/j.csbj.2015.01.002
10.1016/j.csbj.2015.01.002 · doi-reference
MetAssign: probabilistic annotation of metabolites from LC–MS data using a Bayesian clustering approach
10.1093/bioinformatics/btu370 · doi-reference
Proposed quantitative and alphanumeric metabolite identification metrics
10.1007/s11306-014-0739-6 · doi-reference
Metabolite identification: are you sure? And how do your peers gauge your confidence?
10.1007/s11306-014-0656-8 · doi-reference
The role of reporting standards for metabolite annotation and identification in metabolomic studies
10.1186/2047-217x-2-13 · doi-reference
10.1007/s11306-007-0070-6
10.1007/s11306-007-0070-6 · doi-reference
10.1007/s11306-007-0082-2
10.1007/s11306-007-0082-2 · doi-reference
Birmingham Metabolite Library: a publicly accessible database of 1-D H-1 and 2-D H-1 J-resolved NMR spectra of authentic metabolite standards (BML-NMR)
10.1007/s11306-011-0347-7 · doi-reference
10.1093/nar/gkm957
10.1093/nar/gkm957 · doi-reference
Isolation, structure elucidation, and synthesis of novel penicillin degradation products — Thietan-2-Ones
10.1039/p29900001559 · doi-reference
A novel series of milbemycin antibiotics from streptomyces strain-E225.2. Isolation, characterization, structure elucidation and solution conformations
10.7164/antibiotics.43.1069 · doi-reference
10.1366/0003702934067694
10.1366/0003702934067694 · doi-reference
10.1007/978-3-540-45087-0_28
10.1007/978-3-540-45087-0_28 · doi-reference
10.1007/s11306-011-0330-3
10.1007/s11306-011-0330-3 · doi-reference
Assessing the performance of statistical validation tools for megavariate metabolomics data
10.1007/s11306-006-0022-6 · doi-reference
Reducing over-optimism in variable selection by cross-model validation
10.1016/j.chemolab.2006.04.021 · doi-reference
10.1021/ac048803i
10.1021/ac048803i · doi-reference
Statistical HOmogeneous cluster SpectroscopY (SHOCSY): an optimized statistical approach for clustering of 1H NMR spectral data to reduce interference and enhance robust biomarkers selection
10.1021/ac500161k · doi-reference
Statistical total correlation spectroscopy: an exploratory approach for latent biomarker identification from metabolic 1H NMR data sets
10.1021/ac048630x · doi-reference
10.1021/pr060594q
10.1021/pr060594q · doi-reference
Chemometric models for toxicity classification based on NMR spectra of biofluids
10.1021/tx990210t · doi-reference
Automatic data reduction and pattern recognition methods for analysis of 1H nuclear magnetic resonance spectra of human urine from normal and pathological states
10.1006/abio.1994.1339 · doi-reference
Orthogonal projections to latent structures (O-PLS)
10.1002/cem.695 · doi-reference
10.1016/s0169-7439(01)00155-1
10.1016/s0169-7439(01)00155-1 · doi-reference
Hierarchical multiblock PLS and PC models for easier model interpretation and as an alternative to variable selection
10.1002/(sici)1099-128x(199609)10:5/6<463::aid-cem445>3.0.co;2-l · doi-reference
Pattern recognition methods and applications in biomedical magnetic resonance
10.1016/s0079-6565(00)00036-4 · doi-reference
Computational strategies for metabolite identification in metabolomics
10.4155/bio.09.138 · doi-reference
Assignment of complex 'H NMR spectra via wo-dimensional homonuclear Hartmann–Hahn spectroscopy
10.1021/ja00295a052 · doi-reference
Evaluation of fast 2D NMR for metabolomics
10.1021/ac500966e · doi-reference
Artifacts in 2-dimensional NMR
10.1016/0079-6565(94)80004-9 · doi-reference
Improved methods for the acquisition and interpretation of NMR metabolomic data
10.1016/j.bbrc.2003.09.092 · doi-reference
The phenotype of a knockout mouse identifies flavin-containing monooxygenase 5 (FMO5) as a regulator of metabolic ageing
10.1016/j.bcp.2015.05.013 · doi-reference
Towards automatic metabolomic profiling of high-resolution one-dimensional proton NMR spectra
10.1007/s10858-011-9480-x · doi-reference
High resolution (1)H NMR spectroscopic studies on dynamic biochemical processes in incubated human seminal fluid samples
10.1016/s0304-4165(97)00116-5 · doi-reference
High-throughput 1H NMR-based metabolic analysis of human serum and urine for large-scale epidemiological studies: validation study
10.1093/ije/dym284 · doi-reference
Analytical reproducibility in H-1 NMR-based metabonomic urinalysis
10.1021/tx0255774 · doi-reference
Signal suppression/enhancement in HPLC-ESI-MS/MS from concomitant medications
10.1002/bmc.863 · doi-reference