Masaryk University, Faculty of Science, Research Centre for Toxic Compounds in the Environment (RECETOX), Kamenice 753/5, 625 00 Brno, Czech Republic.
Chemosphere. 2019 May;223:748-757. doi: 10.1016/j.chemosphere.2019.01.164. Epub 2019 Feb 5.
Passive sampling is increasingly applied for monitoring neutral hydrophobic compounds (HOC) in various environmental media like water, sediment, air and also soft biota tissue. Passive samplers for HOC are often constructed from permeable polymers like silicone and polyethylene (PE), while also SPMD are often applied. Their HOC uptake can be converted to freely dissolved or equivalent lipid-based concentrations using appropriate partition coefficients with or without the use of kinetic uptake models to adjust for non-equilibrium. To facilitate such conversions for seventy HOC partition coefficients are derived by combining polymer-water for Altesil™ silicone and PE, with new and earlier published polymer-polymer, polymer-lipid partition coefficients. Derived SSP silicone-water, lipid-water (K), and SPMD-water (K) partition coefficients demonstrate good agreement with literature data, except for K. For SPMD, this work demonstrates a linear K - K relationship (R = 0.99) in contrast to the parabolic K - K relationship utilized in the USGS "SPMD Water Concentrations Calculator". Following a thorough evaluation of this Calculator it is recommended that in combination with revised K, a radical different model approach should be used for obtaining accurate water concentrations from passive sampling with SPMD.
被动采样越来越多地应用于监测各种环境介质（如水、沉积物、空气）以及软生物组织中的中性疏水性化合物（HOC）。用于 HOC 的被动采样器通常由可渗透的聚合物如硅酮和聚乙烯（PE）制成，同时也经常使用 SPMD。可以使用适当的分配系数（无需或需要使用动力学吸收模型来调整非平衡状态）将其 HOC 吸收量转换为自由溶解或等效的基于脂质的浓度。为了促进这种转换，通过将 Altesil™硅酮和 PE 的聚合物-水与新的和更早发表的聚合物-聚合物、聚合物-脂质分配系数相结合，得出了 70 种 HOC 分配系数。得出的 SSP 硅酮-水、脂质-水（K）和 SPMD-水（K）分配系数与文献数据吻合良好，除了 K。对于 SPMD，本工作表明 K - K 关系呈线性（R = 0.99），与 USGS“SPMD 水浓度计算器”中使用的抛物线 K - K 关系形成对比。在对该计算器进行了彻底评估后，建议与修订后的 K 结合使用，对于使用 SPMD 从被动采样中获得准确的水浓度，应采用截然不同的模型方法。
