Application of data fusion techniques to direct geographical traceability indicators.

A hierarchical data fusion approach has been developed proposing multivariate curve resolution (MCR) as a variable reduction tool. The case study presented concerns the characterization of soil samples of the Modena District. It was performed in order to understand, at a pilot study stage, the geographical variability of the zone prior to planning a representative soils sampling to derive geographical traceability models for Lambrusco Wines. Soils samples were collected from four producers of Lambrusco Wines, located in in-plane and hill areas. Depending on the extension of the sampled fields the number of points collected varies from three to five and, for each point, five depth levels were considered. The different data blocks consisted of X-ray powder diffraction (XRDP) spectra, metals concentrations relative to thirty-four elements and the (87)Sr/(86)Sr isotopic abundance ratio, a very promising geographical traceability marker. A multi steps data fusion strategy has been adopted. Firstly, the metals concentrations dataset was weighted and concatenated with the values of strontium isotopic ratio and compressed. The resolved components described common patterns of variation of metals content and strontium isotopic ratio. The X-ray powder spectra profiles were resolved in three main components that can be referred to calcite, quartz and clays contributions. Then, a high-level data fusion approach was applied by combining the components arising from the previous data sets. The results show interesting links among the different components arising from XRDP, the metals pattern and to which of these (87)Sr/(86)Sr Isotopic Ratio variation is closer. The combined information allowed capturing the variability of the analyzed soil samples.

Determination of phenolic compounds and authentication of PDO Lambrusco wines by HPLC-DAD and chemometric techniques.

This work proposes a fast and simple method for detection and quantification of phenolic compounds in PDO Lambrusco wines using HPLC-DAD and chemometric techniques. Samples belonging to three different varieties of Lambrusco (Grasparossa, Salamino and Sorbara) were analyzed to provide a methodology appropriate for routine analysis. Given the high complexity of the sample and the coelution among chromatographic peaks, the use of chemometric techniques to extract the information of the individual eluting compounds was needed. Multivariate curve resolution-alternating least squares (MCR-ALS) allowed the resolution of the chromatographic peaks obtained and the use of this information for the quantification of the phenolic analytes in the presence of interferences. Use of multiset analysis and local rank/selectivity information was proven to be crucial for the correct resolution and quantification of compounds. The quantitative data provided by MCR-ALS about the phenolic targets and additional compounds present in the samples analyzed provided wine composition profiles, which were afterwards used to distinguish among wine varieties. Principal component analysis applied to the wine profiles allowed characterizing the wines according to their varieties.

Application of CZE Method in Routine Analysis for Determination of B-Complex Vitamins in Pharmaceutical and Veterinary Preparations.

A competitive CZE method for quality control analysis of multivitamin preparations and veterinary products containing B-group vitamins was developed. Vitamins of interest are thiamine hydrochloride (B(1)), thiamine monophosphate chloride (B(1a)), riboflavine (B(2)), riboflavine-5'monophosphate (B(2a)), nicotinamide (B(3)), d-pantothenic acid calcium salt (B(5)), pyridoxine hydrochloride (B(6)), folic acid (B(9)), and 4-aminobenzoic acid (B(10)). These analytes were separated optimizing the experimental conditions in 20 mM tetraborate buffer pH = 9.2 as a BGE (background electrolyte), on a Beckman P/ACE System MDQ instrument, using uncoated fused silica capillary. The effective capillary length was of 49.5 cm, I.D. = 50 µm, the applied voltage 20 kV and the temperature 25°C. Detection was performed by a diode array detector at 214 nm for all vitamins except B(5) (190 nm) and B(2a) (260 nm). Separation time was about 9 min. After experimental conditions optimization, the proposed method was validated. Precision of migration time and corrected peak area, linearity range, LOD and LOQ, accuracy (recovery), robustness, and ruggedness were evaluated for each analyte demonstrating the good reliability of the method. Analyses of the pharmaceutical real samples were performed and confirmed the versatility of this method.