| Title: | Evaluation of the Environmental Fate of a Semivolatile Transformation Product of Ibuprofen Based on a Simple Two-Media Fate Model |
| Author(s): | Arsene C; Bejan IG; Roman C; Olariu RI; Minella M; Passananti M; Carena L; Vione D; |
| Address: | "Department of Chemistry, Faculty of Chemistry, 'Alexandru Ioan Cuza' University of Iasi, 11 Carol I, 700506Iasi, Romania. Integrated Centre of Environmental Science Studies in the North Eastern Region (CERNESIM), 'Alexandru Ioan Cuza' University of Iasi, 11 Carol I, 700506Iasi, Romania. Integrated Centre of Environmental Science Studies in the North Eastern Region (RECENT AIR), 'Alexandru Ioan Cuza' University of Iasi, 11 Carol I, 700506Iasi, Romania. Dipartimento di Chimica, Universita degli Studi di Torino, Via Pietro Giuria 5, 10125Torino, Italy. Institute for Atmospheric and Earth System Research/Physics, Faculty of Science, University of Helsinki, FI-00014Helsinki, Finland" |
| ISSN/ISBN: | 1520-5851 (Electronic) 0013-936X (Print) 0013-936X (Linking) |
| Abstract: | "Partitioning between surface waters and the atmosphere is an important process, influencing the fate and transport of semi-volatile contaminants. In this work, a simple methodology that combines experimental data and modeling was used to investigate the degradation of a semi-volatile pollutant in a two-phase system (surface water + atmosphere). 4-Isobutylacetophenone (IBAP) was chosen as a model contaminant; IBAP is a toxic transformation product of the non-steroidal, anti-inflammatory drug ibuprofen. Here, we show that the atmospheric behavior of IBAP would mainly be characterized by reaction with (*)OH radicals, while degradation initiated by (*)NO(3) or direct photolysis would be negligible. The present study underlines that the gas-phase reactivity of IBAP with (*)OH is faster, compared to the likely kinetics of volatilization from aqueous systems. Therefore, it might prove very difficult to detect gas-phase IBAP. Nevertheless, up to 60% of IBAP occurring in a deep and dissolved organic carbon-rich water body might be eliminated via volatilization and subsequent reaction with gas-phase (*)OH. The present study suggests that the gas-phase chemistry of semi-volatile organic compounds which, like IBAP, initially occur in natural water bodies in contact with the atmosphere is potentially very important in some environmental conditions" |
| Keywords: | "*Ibuprofen *Atmosphere/chemistry Photolysis Volatilization Anti-Inflammatory Agents, Non-Steroidal Water/chemistry 4-isobutylacetophenone aqueous system modeling chemodynamics environmental modeling hydroxyl radicals rate coefficient water-air interface;" |
| Notes: | "MedlineArsene, Cecilia Bejan, Iustinian G Roman, Claudiu Olariu, Romeo I Minella, Marco Passananti, Monica Carena, Luca Vione, Davide eng Research Support, Non-U.S. Gov't 2022/10/15 Environ Sci Technol. 2022 Nov 15; 56(22):15650-15660. doi: 10.1021/acs.est.2c04867. Epub 2022 Oct 14" |
