Modulation of the phenolic composition and colour of red wines subjected to accelerated ageing by controlling process variables.

The aim of the present work was to evaluate the effect of the main factors conditioning accelerated ageing processes (oxygen dose, chip dose, wood origin, toasting degree and maceration time) on the phenolic and chromatic profiles of red wines by using a multivariate strategy based on experimental design methodology. The results obtained revealed that the concentrations of monomeric anthocyanins and flavan-3-ols could be modified through the application of particular experimental conditions. This fact was particularly remarkable since changes in phenolic profile were closely linked to changes observed in chromatic parameters.

Experimental design approach to evaluate the impact of oak chips and micro-oxygenation on the volatile profile of red wines.

A chemometric strategy based on combining an experimental design approach and response surface methodology was applied to gain further knowledge on the influence of chip maceration and micro-oxygenation related factors (oxygen doses, chip doses, wood origin, toasting degree and maceration time) on the volatile profile of red wines during the accelerated ageing process. The results obtained indicated that the volatile profile of wines could be modulated by applying different combinations of factor conditions. Thus, these results would be used to obtain wines with specific volatile profiles that would lead to particular olfactory attributes according to consumers' preferences.

Classification of Spanish extra virgin olive oils by data fusion of visible spectroscopic fingerprints and chemical descriptors.

The potential of visible fingerprints and physical-chemical parameters in combination with multivariate data analysis was examined to classify extra virgin olive oils (EVOOs) from different Spanish regions according to their geographical origin. Firstly, spectral and quality parameters matrices were processed separately and subsequently were joined to evaluate the effect of synergy on the information obtained from the different methodologies. Linear discriminant analysis (LDA) and partial least squares discriminant analysis (PLS-DA) were performed as classification methods.

Recognition of volatile compounds as markers in geographical discrimination of Spanish extra virgin olive oils by chemometric analysis of non-specific chromatography volatile profiles.

Chromatographic profiles obtained by headspace solid-phase microextraction (HS-SPME) coupled with gas chromatography (GC) were processed as continuous and non-specific signals through multivariate analysis techniques in order to select and identify the most discriminate volatile marker compounds related to the geographical origin of extra virgin olive oils. The blind analysis of the chromatographic profiles was carried out on several steps including preliminary mathematical treatments, explorative analysis, feature selection and classification. The results obtained through the application of stepwise linear discriminant analysis (SLDA) method revealed a perfect discrimination between the different Spanish geographical regions considered (La Rioja, Andalusia and Catalonia).

Classification of archaeological sherds across the southeast United States based on variable selection from compositional fingerprints.

The transfer of advances in chemometrics into archaeometric research opens a wide range of new application possibilities in this rapidly developing field. The present research represents a feasibility study aimed at showing how the huge potential that multivariate analysis and feature selection techniques have demonstrated for classification purposes can be extrapolated to archaeological provenance studies, thus pursuing an enhancement of the resulting classification performance. The classification problem studied here was related to the discrimination of pottery sherds from different sources across the southeast of the United States from their compositional fingerprints.