کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
4434326 1619979 2006 11 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Evaluating the environmental fate of pharmaceuticals using a level III model based on poly-parameter linear free energy relationships
موضوعات مرتبط
علوم زیستی و بیوفناوری علوم محیط زیست شیمی زیست محیطی
پیش نمایش صفحه اول مقاله
Evaluating the environmental fate of pharmaceuticals using a level III model based on poly-parameter linear free energy relationships
چکیده انگلیسی

We recently proposed how to expand the applicability of multimedia models towards polar organic chemicals by expressing environmental phase partitioning with the help of poly-parameter linear free energy relationships (PP-LFERs). Here we elaborate on this approach by applying it to three pharmaceutical substances. A PP-LFER-based version of a Level III fugacity model calculates overall persistence, concentrations and intermedia fluxes of polar and non-polar organic chemicals between air, water, soil and sediments at steady-state. Illustrative modeling results for the pharmaceuticals within a defined coastal region are presented and discussed. The model results are highly sensitive to the degradation rate in water and the equilibrium partitioning between organic carbon and water, suggesting that an accurate description of this particular partitioning equilibrium is essential in order to obtain reliable predictions of environmental fate. The PP-LFER based modeling approach furthermore illustrates that the greatest mobility in aqueous phases may be experienced by pharmaceuticals that combines a small molecular size with strong H-acceptor properties.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Science of The Total Environment - Volume 359, Issues 1–3, 15 April 2006, Pages 177–187
نویسندگان
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