Ricerc@Sapienza

In this contribution, we show how it is possible to develop polarizable and non-polarizable force fields to study hydration properties of a whole chemical series based on atomic properties such as ionic radii. In particular, we have addressed the actinide(III) ion series, from U 3+ to Cf 3+ , for which X-ray absorption data and effective ionic radii are available. A polarizable force field has been re-parameterized improving the original one [M. Duvail et al., J. Chem. Phys. 135, 044503 (2011)] which was based on solid state ionic radii.

Cigarette smoke is the main source of indoor chemical and toxic elements. Cadmium (Cd), Thallium (Tl), Lead (Pb) and Antimony (Sb) are important contributors to smoke-related health risks. Data on the association between Rare Earth Elements (REE) Cerium (Ce) and Lanthanum (La) and domestic smoking are scanty. To evaluate the relationship between cigarette smoke, indoor levels of PM 2.5 and heavy metals, 73 children were investigated by parental questionnaire and skin prick tests.

A geochemical assessment of groundwater beneath a municipal solid waste landfill site in Central Italy was carried out using a hydrogeochemical and isotopic approach. The aim of this study was to verify the quality of groundwater using major ions, trace elements and boron isotopes as tracers of contamination due to the presence of the landfill. Results obtained show that Fe, Mn, Cr, Ni and B present high values in groundwater located downgradient from the landfill. With boron isotopes, it is possible to identify whether a contamination source is anthropogenic and/or geogenic.