Published in Anal Chem on August 26, 2013
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Automatic chemical structure annotation of an LC-MS(n) based metabolic profile from green tea. Anal Chem (2013) 1.08
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Proton fingerprints portray molecular structures: enhanced description of the 1H NMR spectra of small molecules. J Org Chem (2013) 1.01
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LC-UV-solid-phase extraction-NMR-MS combined with a cryogenic flow probe and its application to the identification of compounds present in Greek oregano. Anal Chem (2003) 0.98
Complete (1)H NMR spectral fingerprint of huperzine A. Magn Reson Chem (2007) 0.97
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Structural elucidation and quantification of phenolic conjugates present in human urine after tea intake. Anal Chem (2012) 0.96
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Identification of 14 quercetin phase II mono- and mixed conjugates and their formation by rat and human phase II in vitro model systems. Chem Res Toxicol (2004) 0.95
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A His-tag based immobilization method for the preparation and reconstitution of apoflavoproteins. Biochim Biophys Acta (2003) 0.94
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A systematic approach to obtain validated partial least square models for predicting lipoprotein subclasses from serum NMR spectra. Anal Chem (2013) 0.90
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Metabolic engineering of geranic acid in maize to achieve fungal resistance is compromised by novel glycosylation patterns. Metab Eng (2011) 0.89
Analytical procedure for the in-vial derivatization--extraction of phenolic acids and flavonoids in methanolic and aqueous plant extracts followed by gas chromatography with mass-selective detection. J Chromatogr A (2004) 0.89
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A whole-grain-rich diet reduces urinary excretion of markers of protein catabolism and gut microbiota metabolism in healthy men after one week. J Nutr (2013) 0.88
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Spectral analysis of 1H coupled 13C spectra of the amino acids: adaptive spectral library of amino acid 13C isotopomers and positional fractional 13C enrichments. Magn Reson Chem (2008) 0.84
13C isotope effects on 1H chemical shifts: NMR spectral analysis of 13C-labelled D-glucose and some 13C-labelled amino acids. Magn Reson Chem (2010) 0.84
The regioselectivity of glutathione adduct formation with flavonoid quinone/quinone methides is pH-dependent. Chem Res Toxicol (2002) 0.83
Quantum mechanical/molecular mechanical free energy simulations of the glutathione S-transferase (M1-1) reaction with phenanthrene 9,10-oxide. J Am Chem Soc (2002) 0.83
Combining NMR ensembles and molecular dynamics simulations provides more realistic models of protein structures in solution and leads to better chemical shift prediction. J Biomol NMR (2012) 0.83
A strategy for fast structural elucidation of metabolites in small volume plant extracts using automated MS-guided LC-MS-SPE-NMR. Magn Reson Chem (2011) 0.83
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Characterization of Chinese liquor starter, "Daqu", by flavor type with 1H NMR-based nontargeted analysis. J Agric Food Chem (2009) 0.82
Mechanisms underlying the dualistic mode of action of major soy isoflavones in relation to cell proliferation and cancer risks. Mol Nutr Food Res (2012) 0.82
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Rapid and sustained systemic circulation of conjugated gut microbial catabolites after single-dose black tea extract consumption. J Proteome Res (2014) 0.82
MetiTree: a web application to organize and process high-resolution multi-stage mass spectrometry metabolomics data. Bioinformatics (2012) 0.81
From proton nuclear magnetic resonance spectra to pH. Assessment of 1H NMR pH indicator compound set for deuterium oxide solutions. Anal Chim Acta (2009) 0.81
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Isolation and characterization of a microperoxidase-8 with a modified histidine axial ligand. J Biol Inorg Chem (2002) 0.80
Specific dietary preferences are linked to differing gut microbial metabolic activity in response to dark chocolate intake. J Proteome Res (2012) 0.80
1H NMR at 800 MHz facilitates detailed phospholipid follow-up during atherogenic modifications in low density lipoproteins. Biochem Biophys Res Commun (2007) 0.80
Resistant starch induces catabolic but suppresses immune and cell division pathways and changes the microbiome in the proximal colon of male pigs. J Nutr (2013) 0.80
LC-MS-SPE-NMR for the isolation and characterization of neo-clerodane diterpenoids from Teucrium luteum subsp. flavovirens (perpendicular). J Nat Prod (2010) 0.80
Antioxidant and antitumor effects of hydroxymatairesinol (HM-3000, HMR), a lignan isolated from the knots of spruce. Eur J Cancer Prev (2002) 0.80