TY - JOUR
T1 - Untargeted approaches in food-omics
T2 - The potential of comprehensive two-dimensional gas chromatography/mass spectrometry
AU - Stilo, Federico
AU - Bicchi, Carlo
AU - Robbat, Albert
AU - Reichenbach, Stephen E.
AU - Cordero, Chiara
N1 - Publisher Copyright:
© 2020 Elsevier B.V.
PY - 2021/2
Y1 - 2021/2
N2 - The contribution focuses on untargeted data processing/analysis approaches that are currently adopted to explore the 4D-data matrices produced by comprehensive two-dimensional gas chromatography-mass spectrometry (GC × GC-MS) in food-omics. Strategies for untargeted explorations are rationalized through the type of features adopted (i.e., visual, datapoint, peak, and peak-regions) at the data processing level, and then discussed through relevant applications and illustrative examples, selected over peer-reviewed literature. The role of MS, including high vs. low resolution MS, as an active probe for specific cross-comparative analysis, is critically discussed also in the context of spectral deconvolution and subtraction, well-established procedures for 1D GC-MS explorations. Moreover, the challenging task of post-targeting aimed at identifying “unknown – knowns”, is examined in its potential, being the key to access a higher level of information. Selected examples emphasize the importance of reliable identification by retention indexing, retention pattern ordering, sensory evaluation (sensory analysis and olfactometry), and data mining.
AB - The contribution focuses on untargeted data processing/analysis approaches that are currently adopted to explore the 4D-data matrices produced by comprehensive two-dimensional gas chromatography-mass spectrometry (GC × GC-MS) in food-omics. Strategies for untargeted explorations are rationalized through the type of features adopted (i.e., visual, datapoint, peak, and peak-regions) at the data processing level, and then discussed through relevant applications and illustrative examples, selected over peer-reviewed literature. The role of MS, including high vs. low resolution MS, as an active probe for specific cross-comparative analysis, is critically discussed also in the context of spectral deconvolution and subtraction, well-established procedures for 1D GC-MS explorations. Moreover, the challenging task of post-targeting aimed at identifying “unknown – knowns”, is examined in its potential, being the key to access a higher level of information. Selected examples emphasize the importance of reliable identification by retention indexing, retention pattern ordering, sensory evaluation (sensory analysis and olfactometry), and data mining.
KW - Comprehensive two-dimensional gas chromatography
KW - Features for cross-comparative analysis
KW - Food-omics untargeted investigations
KW - GC × GC data Processing
KW - MS subtraction
KW - Multidimensional analytical platforms
KW - Spectral deconvolution
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U2 - 10.1016/j.trac.2020.116162
DO - 10.1016/j.trac.2020.116162
M3 - Review article
AN - SCOPUS:85099116776
SN - 0165-9936
VL - 135
JO - TrAC - Trends in Analytical Chemistry
JF - TrAC - Trends in Analytical Chemistry
M1 - 116162
ER -