Ibuprofen exposure in Europe; ePiE as an alternative to costly environmental monitoring.

The EU Water Framework Directive and Priority Substance Directive provide a framework to identify substances that potentially pose a risk to surface waters and provide a legal basis whereby member states are required to monitor and comply with environmental quality standards (EQSs) set for those substances. The cost and effort to continuously measure and analyse real world concentrations in all water bodies across Europe are high. Establishing the reliability of environmental exposure models to predict concentrations of priority substances is key, both to fill data gaps left by monitoring campaigns, and to predict the outcomes of actions that might be taken to reduce exposure. In this study, we aimed to validate the ePiE model for the pharmaceutical ibuprofen by comparing predictions made using the best possible consumption data with measured river concentrations. The results demonstrate that the ePiE model makes useful, conservative exposure predictions for ibuprofen, typically within a factor of 3 of mean measured values. This exercise was performed across a number of basins within Europe, representative of varying conditions, including consumption rates, population densities and climates. Incorporating specific information pertaining to the basin or country being assessed, such as custom WWTP removal rates, was found to improve the realism and accuracy of predictions. We found that the extrapolation of consumption data between countries should be kept to a minimum when modelling the exposure of pharmaceuticals, with the per capita consumption of ibuprofen varying by nearly a factor of 10.

Loop shaped dicarboxylate-bridged dimolybdenum(II) bisphosphine compounds--a rational synthesis.

The reaction of the tetrametallic molecular loop [(CH3CN)6Mo2(OOC-C4H6-COO)]2[BF4]4 (1) (1 equiv.) with 2 equiv. of bis(diphenylphosphino)amine (dppa), 1,2-bis(diphenylphosphino)ethane (dppe) and bis(diphenylphosphino)methane (dppm) in propionitrile leads to the formation of the still tetrametallic complexes [(CH3CH2CN)4(X)Mo2(OOC-C4H6-COO)]2[BF4]4 (X = dppa (2), dppe (3), dppm (4)), also displaying a loop structure. All three complexes are characterized by NMR spectroscopy ((1)H, (11)B, (13)C{(1)H}, (19)F, (31)P{(1)H}), IR spectroscopy, elemental analysis, TG-MS measurements and UV-vis spectroscopy, compounds 2 and 3 additionally by X-ray single crystal diffraction.