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Journal Article
Genes and Cells, ISSN 2313-1829, 2016, Volume 11, Issue 3, pp. 129 - 134
Journal Article
Chemometrics and Intelligent Laboratory Systems, ISSN 0169-7439, 2009, Volume 95, Issue 2, pp. 150 - 163
Global analysis has been applied to resolve components in multiple gas chromatography-mass spectrometry (GC/MS) data sets. Global analysis methodology is based... 
Journal Article
Analytical Chemistry, ISSN 0003-2700, 2014, Volume 86, Issue 1, pp. 543 - 550
A systematic approach is described for building validated PLS models that predict cholesterol and triglyceride concentrations in lipoprotein subclasses in... 
Journal Article
Phytochemical Analysis, ISSN 0958-0344, 2013, Volume 24, Issue 5, pp. 476 - 483
Introduction - The fruits of Vaccinium vitis-idaea L. are a valuable source of biologically active flavonoid derivatives. For studies focused on the... 
CHEMISTRY, ANALYTICAL | H-1 iterative full spin analysis | flavonol glycosides | GINKGO-BILOBA | H-1-NMR fingerprint | BIOCHEMICAL RESEARCH METHODS | berries | PLANT SCIENCES | food and dietary supplement analysis | NMR | HiFSA | PURIFICATION | SPECTRAL-ANALYSIS | nmr | ginkgo-biloba | purification | spectral-analysis
Journal Article
Journal Article
Bioinformatics, ISSN 1367-4803, 3/2009, Volume 25, Issue 6, pp. 787 - 794
Journal Article
Bioinformatics, ISSN 1367-4803, 2009, Volume 25, Issue 6, pp. 787 - 794
Motivation: Matching both the retention index (RI) and the mass spectrum of an unknown compound against a mass spectral reference library provides strong... 
mass-spectrometry | descriptors | isomers | variety | volatile organic-compounds | cancer | variable selection | genetic algorithms | time | strategy
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 2004, Volume 120, Issue 19, pp. 9212 - 9221
The changes in the spectra of the acidic group in chabazite are studied by quantum chemical calculations. The zeolite is modeled by two clusters consisting of... 
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 2003, Volume 119, Issue 24, pp. 13053 - 13060
Two different clusters that have the topology of chabazite but different shapes have been used as a model for the Brønsted sites in chabazite. One of the... 
Journal Article
Journal of Physical Chemistry B, ISSN 1520-6106, 2001, Volume 105, Issue 29, pp. 6874 - 6879
Journal Article
Journal of Chemical Physics Journal of Chemical Physics Journal of Chemical Physics Journal of Chemical Physics Journal of Chemical Physics Journal of Chemical Physics Journal of Chemical Physics Journal of Chemical Physics Journal of Chemical Physics Journal of Chemical Physics, ISSN 0021-9606, 2003, Volume 119, Issue 24, pp. 13053 - 13060
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 2004, Volume 120, Issue 19, pp. 9212 - 9221
Journal Article
The Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, ISSN 1520-6106, 2001, Volume 105, Issue 29, pp. 6874 - 6879
Hybrid B3LYP and gradient-corrected PW91 functionals were used for studying methanol adsorption on a zeolite cluster consisting of an 8T ring of chabazite. The... 
Journal Article
2015, ISBN 9781447165385
Flavonoids are a class of natural compounds essentially produced by plants that are part of animal and human diets and have assumed health-promoting benefits.... 
Biochemistry | Biochemie | EPS-1
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