Application of Fourier-Transform Infrared Spectroscopy for the Assessment of Wine Spoilage Indicators: A Feasibility Study.

Wine aroma is one of the most frequently used and explored quality indicators. Typically, its assessment involves estimating the volatile composition of wine or highly trained assessors conducting sensory analysis. However, current methodologies rely on slow, expensive and complicated analytical procedures.

Thawing as a critical pre-analytical step in the lipidomic profiling of plasma samples: New standardized protocol.

Lipid profiling is a promising tool for the discovery and subsequent identification of biomarkers associated with various diseases. However, data quality is quite dependent on the pre-analytical methods employed. To date, potential confounding factors that may affect lipid metabolite levels after the thawing of plasma for biomarker exploration studies have not been thoroughly evaluated.

Plasma lipidomic profiling method based on ultrasound extraction and liquid chromatography mass spectrometry.

Lipidomics is an emerging field in biomedical research that includes the analysis of all the lipids present in complex biological samples. To evaluate the chemical and biological diversity of lipids, lipid extraction is usually the first step toward lipidomics analysis. Nevertheless, sample preparation is still a time-consuming and error prone analytical step.

Optimisation of a sensitive method based on ultrasound-assisted emulsification-microextraction for the simultaneous determination of haloanisoles and volatile phenols in wine.

In this study, an ultrasound-assisted emulsification-microextraction (USAEME) has been optimised for the sensitive determination of haloanisoles (2,4,6-trichloroanisole (TCA), 2,3,4,6-tetrachloroanisole (TeCA), 2,4,6-tribromoanisole (TBA) and pentachloroanisole (PCA)) and volatile phenols (4-ethylphenol (4-EP), 4-ethylguaiacol (4-EG), 4-vinylphenol (4-VP) and 4-vinylguaiacol (4-VG)) in wine using gas chromatography coupled to tandem mass spectrometry (GC-MS/MS). Optimisation of USAEME method was performed by evaluating the different parameters that influence the recovery of the analytes in the extract. Firstly, extraction solvent was selected.

Development of an ultrasound-assisted emulsification-microextraction method for the determination of the main compounds causing cork taint in wines.

In this work, an ultrasound-assisted emulsification-microextraction method has been optimised for the determination in wine of haloanisoles (2,4,6-trichloranisole (TCA), 2,3,4,6-tetrachloroanisole (TeCA), 2,4,6-tribromoanisole (TBA) and pentachloranisole (PCA)) responsible for the so-called cork taint. Their halophenolic precursors (2,4,6-trichlorophenol (TCP), 2,3,4,6-tetrachlorophenol (TeCP), 2,4,6-tribromophenol (TBP) and pentachlorophenol (PCP)) have also been simultaneously determined. For this purpose, parameters affecting the USAEME-derivatisation procedure were exhaustively investigated.

Headspace solid-phase microextraction for direct determination of volatile phenols in cider.

A headspace solid-phase microextraction coupled to gas chromatography-tandem mass spectrometry (GC-MS/MS) method was optimised and validated for the determination of 4-ethylguaiacol, 4-ethylphenol, 4-vinylguaiacol and 4-vinylphenol, involved in the presence of Brett character, in ciders. The influence of different parameters on extraction efficiency (fibre coating, salt addition, exposure time, extraction temperature and sample volume/total volume ratio) was evaluated. Divinylbenzene/carboxen/PDMS was selected as extraction fibre and the other optimised parameters were as follows: 10 mL of cider, temperature 70 degrees C, extraction time 60 min and addition of 0.

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.