title: Determination of silicone rubber and low-density polyethylene diffusion and polymer/water partition coefficients for emerging contaminants.
abstract: There is a growing interest in assessing the concentration and distribution of new nonregulated organic compounds (emerging contaminants) in the environment. The measurement of freely dissolved concentrations using conventional approaches is challenging because of the low concentrations that may be encountered and their temporally variable emissions. Absorption-based passive sampling enables the estimation of freely dissolved concentrations of hydrophobic contaminants of emerging concern in water. In the present study, calibration was undertaken for 2 polymers, low-density polyethylene (LDPE) and silicone rubber for 11 fragrances, 5 endocrine-disrupting compounds, 7 ultraviolet (UV) filters, and 8 organophosphate flame retardant compounds. Batch experiments were performed to estimate contaminant diffusion coefficients in the polymers (Dp ), which in general decreased with increasing molecular weight. The values for fragrances, endocrine-disrupting compounds, and UV filters were in ranges similar to those previously reported for polycyclic aromatic hydrocarbons, but were 1 order of magnitude lower for organophosphate flame retardant compounds. Silicone rubber had higher Dp values than LDPE and was therefore selected for further experiments to calculate polymer/water partition coefficients (KPW ). The authors observed a positive correlation between log KPW and log octanol/water partition coefficient values. Field testing of silicone rubber passive samplers was undertaken though exposure in the River Alna (Norway) for an exposure time of 21 d to estimate freely dissolved concentration. Some fragrances and UV filters were predominant over other emerging and regulated contaminants, at levels up to 1600 ng L(-1) for galaxolide and 448 ng L(-1) for octocrylene. Environ Toxicol Chem 2016;35:2162-2172. © 2016 SETAC.
authors.affiliation: Physical Chemistry Department, Faculty of Marine and Environmental Sciences, University of Cadiz, Campus ode Excelencia Internacional del Mar (CEI-MAR), Cadiz, Spain.
authors.forename: Marina G
authors.initials: MG
authors.lastname: Pintado-Herrera
authors.affiliation: Physical Chemistry Department, Faculty of Marine and Environmental Sciences, University of Cadiz, Campus ode Excelencia Internacional del Mar (CEI-MAR), Cadiz, Spain.
authors.forename: Pablo A
authors.initials: PA
authors.lastname: Lara-Martín
authors.affiliation: Physical Chemistry Department, Faculty of Marine and Environmental Sciences, University of Cadiz, Campus ode Excelencia Internacional del Mar (CEI-MAR), Cadiz, Spain.
authors.forename: Eduardo
authors.initials: E
authors.lastname: González-Mazo
authors.affiliation: Norwegian Institute for Water Research (NIVA), Oslo, Norway.
authors.forename: Ian J
authors.initials: IJ
authors.lastname: Allan
mesh_terms: D002138:Calibration; D004058:Diffusion; D052244:Endocrine Disruptors / Q000032:analysis* / Q000737:chemistry; D004784:Environmental Monitoring / Q000379:methods*; D005411:Flame Retardants / Q000032:analysis; D057927:Hydrophobic and Hydrophilic Interactions; D008962:Models, Theoretical; D009664:Norway; D010476:Perfume / Q000032:analysis / Q000737:chemistry; D011084:Polycyclic Aromatic Hydrocarbons / Q000032:analysis / Q000737:chemistry; D020959:Polyethylene / Q000737:chemistry*; D045483:Rivers / Q000737:chemistry; D012826:Silicone Elastomers / Q000737:chemistry*; D013473:Sunscreening Agents / Q000032:analysis / Q000737:chemistry; D014874:Water Pollutants, Chemical / Q000032:analysis* / Q000737:chemistry
chemical_list: D052244:Endocrine Disruptors; D005411:Flame Retardants; D010476:Perfume; D011084:Polycyclic Aromatic Hydrocarbons; D012826:Silicone Elastomers; D013473:Sunscreening Agents; D014874:Water Pollutants, Chemical; D020959:Polyethylene
keywords: Absorption; Emerging pollutants; Flame retardants; Passive sampler; Personal care products