Characterisation of PDO olive oil Chianti Classico by non-selective (UV-visible, NIR and MIR spectroscopy) and selective (fatty acid composition) analytical techniques.

An authentication study of the Italian PDO (protected designation of origin) extra virgin olive oil Chianti Classico was performed; UV-visible (UV-vis), Near-Infrared (NIR) and Mid-Infrared (MIR) spectroscopies were applied to a set of samples representative of the whole Chianti Classico production area. The non-selective signals (fingerprints) provided by the three spectroscopic techniques were utilised both individually and jointly, after fusion of the respective profile vectors, in order to build a model for the Chianti Classico PDO olive oil. Moreover, these results were compared with those obtained by the gas chromatographic determination of the fatty acids composition.

Cholesterol granuloma of the breast with unusual ossification features (osseous metaplasia).

Cholesterol granuloma of the breast is a rare benign condition that can be mistaken for breast cancer. We present a case of a 42-year-old woman who presented with a 1-year history of asymptomatic palpable nodule in the upper external quadrant of the right breast. Mammography and ultrasonography suggested carcinoma, but excisional biopsy revealed cholesterol granuloma with unusual osseous metaplasia.

Combining information from headspace mass spectrometry and visible spectroscopy in the classification of the Ligurian olive oils.

An electronic nose and an UV-Vis spectrophotometer, in combination with multivariate analysis, have been used to verify the geographical origin of extra virgin olive oils. Forty-six oil samples from three different areas of Liguria were included in this analysis. Initially, the data obtained from the two instruments were analysed separately.

Affinity prediction on A1 adenosine receptor agonists: the chemometric approach.

In this paper, we are presenting a quantitative-structure-activity relationship (QSAR) study performed on 21 selective A(1) adenosine receptor agonists plus the endogenous substrate, adenosine, so as to identify those predictors which play a key role in describing the binding of the ligand with the A(1) receptor. A large number of molecular descriptors plus a calculated receptor-agonist binding energy and atomic charges were taken into account to derive different QSAR models, using different regression techniques. The results obtained both with linear and nonlinear approaches converge to the selection of the same informative parameters, highlighting the correlation of these descriptors with the biological Response.

Cluster analysis: significance, empty space, clustering tendency, non-uniformity. II--Empty Space index.

The here presented Empty Space index (ES) evaluates the fraction of the information space without experimental points, i.e. the space where the distance from an experimental point is significantly larger than the mean distance between the experimental points themselves.