Untargeted metabolomic profile for the detection of prostate carcinoma-preliminary results from PARAFAC2 and PLS-DA Models

Prostate-specific antigen (PSA) is the main biomarker for the screening of prostate cancer (PCa), which has a high sensibility (higher than 80%) that is negatively offset by its poor specificity (only 30%, with the European cut-off of 4 ng/mL). This generates a large number of useless biopsies, involving both risks for the patients and costs for the national healthcare systems. Consequently, efforts were recently made to discover new biomarkers useful for PCa screening, including our proposal of interpreting a multi-parametric urinary steroidal profile with multivariate statistics. This approach has been expanded to investigate new alleged biomarkers by the application of untargeted urinary metabolomics. Urine samples from 91 patients (43 affected by PCa; 48 by benign hyperplasia) were deconjugated, extracted in both basic and acidic conditions, derivatized with different reagents, and analyzed with different gas chromatographic columns. Three-dimensional data were obtained from full-scan electron impact mass spectra. The PARADISe software, coupled with NIST libraries, was employed for the computation of PARAFAC2 models, the extraction of the significative components (alleged biomarkers), and the generation of a semiquantitative dataset. After variables selection, a partial least squares–discriminant analysis classification model was built, yielding promising performances. The selected biomarkers need further validation, possibly involving, yet again, a targeted approach

Development and validation of a GC–MS method for nicotine detection in Calliphora vomitoria (L.) (Diptera: Calliphoridae)

Entomotoxicology is the application of toxicological methods and analytical procedures on necrophagous insects feeding on decomposing tissues to detect drugs and other chemical components, and their mechanisms affecting insect development and morphology and modifying the methodology for estimation of minimum time since death. Nicotine is a readily available potent poison. Because of its criminal use, a gas chromatography-mass spectrometry (GC-MS) method for the detection of nicotine in Calliphora vomitoria L. (Diptera: Calliphoridae) was developed and validated. Furthermore, the effect of nicotine on the development, growth rate, and survival of this blowfly was studied. Larvae were reared on liver substrates homogeneously spiked with measured amounts of nicotine (2, 4, and 6 ng/mg) based on concentrations that are lethal to humans. The results demonstrated that (a) the GC-MS method can detect both nicotine and its metabolite cotinine in immature C. vomitoria; (b) the presence of nicotine in the aforementioned three concentrations in food substrates did not modify the developmental time of C. vomitoria; (c) during the pupation period, larvae exposed to nicotine died depending on the concentration of nicotine in the substrate; and (d) the resultant lengths of larvae and pupae exposed to 4 and 6 ng/mg concentrations of nicotine were significantly shorter than those of the control