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Journal of Proteome Research, ISSN 1535-3893, 06/2012, Volume 11, Issue 6, pp. 3344 - 3357
Serologic biomarkers for inflammatory bowel disease (IBD) have yielded variable differentiating ability. Quantitative analysis of a large number of metabolites... 
metabonomics | chemometrics | OPLS | inflammatory bowel disease
Journal Article
Marine Drugs, ISSN 1660-3397, 06/2015, Volume 13, Issue 6, pp. 3550 - 3566
Journal Article
Journal of Agricultural and Food Chemistry, ISSN 0021-8561, 10/2012, Volume 60, Issue 40, pp. 10118 - 10125
Journal Article
Journal of Chemometrics, ISSN 0886-9383, 08/2006, Volume 20, Issue 8‐10, pp. 341 - 351
Journal Article
NUTRITION JOURNAL, ISSN 1475-2891, 04/2019, Volume 18
Background: Metabolomics represents a powerful tool for exploring modulation of the human metabolome in response to food intake. However, the choice of... 
Metabolomics | Breakfast | ASSOCIATIONS | Nutrition | ANOVA-PLS | Postprandial | OPLS-DA | BIOMARKERS | NMR | NUTRITION & DIETETICS | OPLS-EP | Serum | TOOL
Journal Article
Food Research International, ISSN 0963-9969, 04/2015, Volume 70, pp. 1 - 6
H NMR-based metabolomics is proposed here for the quality control of saffron upon storage using the ability to detect a wide range of chemical compounds with... 
NMR | Storage | Saffron | Quality marker | OPLS-DA | PCA
Journal Article
Biophysical Chemistry, ISSN 0301-4622, 10/2019, Volume 253, p. 106219
Peptides can aggregate into ordered structures with different morphologies. The aggregation mechanism and evolving structures are the subject of intense... 
OPLS-AA | Molecular dynamics | Aggregation kinetics | MARTINI | Peptides
Journal Article
Minerals, ISSN 2075-163X, 09/2019, Volume 9, Issue 10, p. 578
Phosphorite is a nonrenewable strategic resource, a convenient and rapid method of phosphorite grade identification and classification is important to improve... 
phosphorite | Raman spectroscopy | PCA-HCA | OPLS-DA
Journal Article
Clinica Chimica Acta, ISSN 0009-8981, 02/2015, Volume 441, pp. 47 - 55
Oral cancer (OC) is the sixth commonest cancer worldwide with alarming mortality. If identified at an early stage, the survival rate would be improved. We... 
Oral cancer | NMR-spectroscopy | OPLS-DA | Serum-metabolomics | PCA
Journal Article
JOURNAL OF PROTEOME RESEARCH, ISSN 1535-3893, 06/2012, Volume 11, Issue 6, pp. 3344 - 3357
Serologic biomarkers for inflammatory bowel disease (IBD) have yielded variable differentiating ability. Quantitative analysis of a large number of metabolites... 
metabonomics | METHANOL | ULCERATIVE-COLITIS | BIOCHEMICAL RESEARCH METHODS | PREVALENCE | OPLS | H-1 | inflammatory bowel disease | chemometrics | MOUSE MODEL | DEGRADATION | HUMAN GUT | COLONIC-MUCOSA | EPIDEMIOLOGY
Journal Article
Colloids and Surfaces A: Physicochemical and Engineering Aspects, ISSN 0927-7757, 11/2018, Volume 557, pp. 43 - 50
Journal Article
Journal of Pharmaceutical and Biomedical Analysis, ISSN 0731-7085, 05/2013, Volume 78-79, pp. 202 - 210
► Effect of XFZYD on hyperlipidemia rats were investigated by NMR-based metabolomics. ► Seventeen marker metabolites were indentified to be hyperlipidemia... 
Traditional Chinese medicines | Metabolomics | 1H NMR spectroscopy | Hyperlipidemia | OPLS-DA | Xue-Fu-Zhu-Yu decoction | H NMR spectroscopy
Journal Article
Molecules, ISSN 1420-3049, 09/2019, Volume 24, Issue 18, p. 3323
The needles of Taxus species contain a large number of bioactive compounds, such as flavonoids. In the present study, the total flavonoid content in leaves of... 
Taxus mairei | UPLC-ESI-MS/MS | flavonoid metabolites | Taxus media | OPLS-DA
Journal Article
Journal of the American Oil Chemists' Society, ISSN 0003-021X, 3/2016, Volume 93, Issue 3, pp. 373 - 381
We report a study on the chemical characterization of 102 monovarietal micro-extracted and genetically characterized extra virgin olive oils (EVOOs) from... 
Biotechnology | Chemistry | MVA analysis | Food Science | EVOOs | OPLS-DA | Agriculture | PDO | Industrial Chemistry/Chemical Engineering | NMR spectroscopy | Biomaterials | PCA | OPLS‐DA
Journal Article
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