In article application of passive sampling with granular activated carbon for qualitative monitoring as a part of “grab” quantitative monitoring is presented. For the interpretation of chromatograms the AMDIS deconvolution was used. Deconvolution was covered by GC-MS library with retention times for 921 organic contaminants from Agilent USA and also the NIST 2008 library of mass spectra. Evaluation of different pollutant groups with respect to their origin was performed.
We used quantum-chemical methods to study seven possible mechanisms of monoamine oxidase B (MAO-B) inhibition by selegiline and rasagiline considering neutral, cationic, anionic and radical mechanisms. Our calculations, performed at the B3LYP/6-311++G(2d,2p)//B3LYP/6-31+G(d) level of theory, with application of the CPCM solvent reaction field with ϵ = 4 to mimic the polar environment, found that a polar anionic mechanism, involving deprotonation of the inhibitor molecule at the terminal acetylene carbon atom, is the most plausible way for rasagiline and selegiline to inhibit MAO-B.
According to climate change projections the Alps will be one of the most affected regions in Europe. A basis for adaptation measures to climate changes is the quantification of the impact. This study investigates the impact of projected climate change on the hydrological cycle in the Upper Soča River basin. It is based on the use of climate model data (IPCC A1B emission scenario) as input for hydrological modelling. The simulated impact was quantified by comparing results of the hydrological modelling for the control period (1971–2000) and different scenario periods (2011– 2040, 2041–2070, 2071–2100). More distinctive changes are evident in the temporal pattern of mean monthly values which result in warmer and wetter winters and hotter and drier summers in the scenario periods. Changes in precipitation patterns have a major influence on the projected hydrological cycle and are the most important source of uncertainty. Estimated extreme flows indicated increased hazards related to floods, especially in the near future scenario period, while in the far future scenario period distinctive drought conditions are projected.