Biology Reference
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biomarker discovery process by making sense of
data with respect to biological mechanisms. It
includes proper preprocessing and pretreatment
of the raw MS data to allow valid subsequent
modeling. The obtained models are expected to
offer meaningful insights into speci
5. Taylor AJ, Linforth RST. Direct mass spectrometry of
complex volatile and non-volatile
flavour mixtures.
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6. Kueger S, Steinhauser D, Willmitzer L, Giavalisco P.
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spectral features to metabolites and from whole-cell
analysis to subcellular metabolite distributions.
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c cellular
or disease processes by summarizing the data
set and extracting its relevant characteristics.
Finally, biologically pertinent biomarkers can
be highlighted from the models to describe the
phenomenon under study with respect to prior
knowledge.
An increasing number of studies involve
several analytical setups to provide a broader
coverage of complex samples. Such experiments
lead to the generation of multiple
:39
e
50.
7. Villas-Bôas SG, Mas S, Akesson M, Smedsgaard J,
Nielsen J. Mass spectrometry in metabolome analysis.
Mass Spectrom Rev
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8. Kopka J. Current challenges and developments in
GC-MS based metabolite pro
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J Bio-
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9. Beens J, Brinkman UAT. Comprehensive two-
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d
a powerful and
versatile technique.
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10. Theodoridis GA, Gika HG, Want EJ, Wilson ID. Liquid
chromatography
130
data
sets and integrative analyses will acquire
a growing importance in the perspective of
a comprehensive vision of biological systems.
Data fusion will also in
“
omics
”
mass
spectrometry based global
metabolite pro
ling: A review.
Anal Chim Acta
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11. Ramautar R, Demirci A, Jong GJ. Capillary electropho-
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25
uence biomarker
discovery with the monitoring of regulatory
networks related to several biological layers
such as transcripts, proteins, and metabolites.
Great challenges are foreseen in terms of data
processing, multiblock and multivariate
modeling, and dimensionality reduction for
the assessment of
for non-targeted
fingerprinting of biological samples.
J Pharm Biomed
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individual or groups of
biomarkers.
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platforms and methodologies.
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