Development and use of polyethylene passive samplers to detect triclosans and alkylphenols in an urban estuary

To be able to use polyethylene passive samplers (PE) in the field, the partitioning constants between PE and water (K(PEw)) of the compounds examined must be known. The K(PEw)s of triclosan (TCS), methyl-triclosan (MTCS), n-nonylphenol (n-NP), nonylphenol-technical mix (NP-tech), n-octylphenol (n-OP), and t-octylphenol (t-OP) were measured as a function of pH, temperature, and salinity, and a salt effect was calculated for TCS, n-OP, and t-OP. Log K(PEw)s used for calculating dissolved concentrations were taken from 20 °C studies taking salt into account: 3.42 (TCS), 4.53 (MTCS), 4.20 (n-NP), 3.69 (n-OP), and 2.87 (t-OP). The K(PEw) of hydroxyl-group containing compounds were strongly affected by pH, whereas MTCS with its methoxy-group was not. Measured K(PEw)s could not be estimated from octanol-water partitioning constants due to the semipolar makeup of the compounds investigated. Instead, a good correlation (K(PEw) = 0.679 × K(hdw) + 1.033, r(2) = 0.984, p = 0.001) was obtained with hexadecane-water partitioning constants (K(hdw)) predicted from COSMOtherm. During deployments in Narragansett Bay (RI) in the fall of 2009, concentrations of MTCS and t-OP in surface and bottom waters ranged from 40-225 pg L(-1) and 3.5-11 ng L(-1), respectively. These concentrations are far below EC(50) values for rainbow trout. Surface/bottom and bottom/porewater activity ratios were calculated. These indicated surface waters as the main source of MTCS, while surface water as well as sediments were sources of t-OP.