Model inversion and three-way decompositions in the analytical quality by design strategy for the determination of phthalates BY HS-SPME-GC-MS.

In this work, strategies within Analytical Quality by Design (AQbD) with tools of the Process Analytical Technology (PAT) were used in the development of a head space-solid phase microextraction-gas chromatography-mass spectrometry (HS-SPME-GC-MS) procedure for the multiresidue analysis of four phthalic acid esters, benzyl butyl phthalate, bis(2-ethylhexyl) phthalate, dibutyl phthalate and diethyl phthalate (regulated by Commission Regulation (EU) No 10/2011). The approach is based on the fact that the intended quality of the resulting chromatograms is defined in terms of the loadings on the sample mode of a Parallel Factor Analysis (PARAFAC2) decomposition. These loadings are the ones used for the inversion of a Partial Least Squares (PLS2) prediction model that has been previously fitted.

Homogeneity assessment of reference materials for sensory analysis of liquid foodstuffs. The virgin olive oil as case study.

Sensory properties are critical characteristics that determine quality and can be evaluated by trained tasting panels. The panels function as multi-sensor measuring instrument and need the use of reference materials (RMs) for training. The homogeneity between units packaged from a batch of RM can be evaluated by gas chromatography coupled to flame ionization detection (GC-FID), using this instrumental technique as an alternative to sensory analysis.

Multivariate approaches for stability control of the olive oil reference materials for sensory analysis - part I: framework and fundamentals.

Background: Virgin olive oil is the only food product for which sensory analysis is regulated to classify it in different quality categories. To harmonize the results of the sensorial method, the use of standards or reference materials is crucial. The stability of sensory reference materials is required to enable their suitable control, aiming to confirm that their specific target values are maintained on an ongoing basis.

Multivariate approaches for stability control of the olive oil reference materials for sensory analysis - part II: applications.

Background: The organoleptic quality of virgin olive oil depends on positive and negative sensory attributes. These attributes are related to volatile organic compounds and phenolic compounds that represent the aroma and taste (flavour) of the virgin olive oil. The flavour is the characteristic that can be measured by a taster panel.

Combined untargeted and targeted fingerprinting with comprehensive two-dimensional chromatography for volatiles and ripening indicators in olive oil.

Comprehensive two-dimensional gas chromatography (GC × GC) is the most effective multidimensional separation technique for in-depth investigations of complex samples of volatiles (VOC) in food. However, each analytical run produces dense, multi-dimensional data, so elaboration and interpretation of chemical information is challenging. This study exploits recent advances of GC × GC-MS chromatographic fingerprinting to study VOCs distributions from Extra Virgin Olive Oil (EVOO) samples of a single botanical origin (Picual), cultivated in well-defined plots in Granada (Spain), and harvested at different maturation stages.

Chromatographic fingerprinting: An innovative approach for food 'identitation' and food authentication - A tutorial.

Fingerprinting methods describe a variety of analytical methods that provide analytical signals related to the composition of foodstuffs in a non-selective way such as by collecting a spectrum or a chromatogram. Mathematical processing of the information in such fingerprints may allow the characterisation and/or authentication of foodstuffs. In this context, the particular meaning of 'fingerprinting', in conjunction with 'profiling', is different from the original meanings used in metabolomics.