Fingerprints are widely used in forensic science for individualization purposes. However, not every fingermark found at a crime scene is suitable for comparison, for instance due to distortion of ridge detail, or when the reference fingerprint is not in the database. To still retrieve information from these fingermarks, several studies have been initiated into the chemical composition of fingermarks, which is believed to be influenced by several donor traits. Yet, it is still unclear what donor information can be retrieved from the composition of one's fingerprint, mainly because of limited sample sizes and the focus on analytical method development. It this paper, we analyzed the chemical composition of 1852 fingerprints, donated by 463 donors during the Dutch music festival Lowlands in 2016. In a targeted approach we compared amino acid and lipid profiles obtained from different types of fingerprints. We found a large inter-variability in both amino acid and lipid content, and significant differences in L-(iso)leucine, L-phenylalanine and palmitoleic acid levels between male and female donors. In an untargeted approach we used full-scan MS data to generate classification models to predict gender (77.9% accuracy) and smoking habit (90.4% accuracy) of fingerprint donors. In the latter, putatively, nicotine and cotinine are used as predictors.
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The anthocyanin composition of five purple leaves cultivars of Ocimum basilicum L. was investigated by reversed-phase HPLC with mass-spectrometric detection by ESI mode with ion partial fragmentation as well as preparation of dried differently colored forms of anthocyanins encapsulated into maltodextrinmatrix. Analysis of the mass spectra revealed that according to the chromatographic profile the set of basil cultivar anthocyanins under investigation may be divided into two groups with the common feature being ahigh level of acylation with (mainly) p-coumaric, ferulic and malonic acids of the same base: cyanidin-3-dihexoside-5-hexoside. The presence of acylation with substituted cinnamic acids permits us to obtain solutions not only with a red color (the property of the flavylium form) but also with blue shades of coloration due to quinonoid and negatively charged quinonoid forms. All forms except that of flavylium are not stable in solution but stable enough to prepare dried encapsulated forms by lyophilization. Although the loss of anthocyaninswith drying is not negligible, the final product is characterized with high stability for storage in a refrigerator.
New approach methodologies predicting human cardiotoxicity are of interest to support or even replace in vivo-based drug safety testing. The present study presents an in vitro–in silico approach to predict the effect of inter-individual and inter-ethnic kinetic variations in the cardiotoxicity of R- and S-methadone in the Caucasian and the Chinese population. In vitro cardiotoxicity data, and metabolic data obtained from two approaches, using either individual human liver microsomes or recombinant cytochrome P450 enzymes (rCYPs), were integrated with physiologically based kinetic (PBK) models and Monte Carlo simulations to predict inter-individual and inter-ethnic variations in methadone-induced cardiotoxicity. Chemical specific adjustment factors were defined and used to derive dose–response curves for the sensitive individuals. Our simulations indicated that Chinese are more sensitive towards methadone-induced cardiotoxicity with Margin of Safety values being generally two-fold lower than those for Caucasians for both methadone enantiomers. Individual PBK models using microsomes and PBK models using rCYPs combined with Monte Carlo simulations predicted similar inter-individual and inter-ethnic variations in methadone-induced cardiotoxicity. The present study illustrates how inter-individual and inter-ethnic variations in cardiotoxicity can be predicted by combining in vitro toxicity and metabolic data, PBK modelling and Monte Carlo simulations. The novel methodology can be used to enhance cardiac safety evaluations and risk assessment of chemicals.
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