• AWWA ACE56340
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AWWA ACE56340

  • Structure-Based QSAR Models for the Fate and Transport Properties of EDCs and PhACs in Drinking Water
  • Conference Proceeding by American Water Works Association, 06/16/2002
  • Publisher: AWWA

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Endocrine-disrupting compounds (EDCs), which can alter the endocrine systems of animals, have been detected in water supplies around the world as the result of human activities. The majority of EDCs (primarily pharmaceutical compounds and their metabolites, which have been collectively termed pharmaceutically active compounds (PhACs), and persistent personal care products) are more polar than traditional drinking water contaminants, such as polychlorinated biphenyls, and several have acidic or basic moieties. These properties, coupled with trace quantities, create unique challenges for both removal processes and analytical detection. Very little is known about the fate of these compounds in the environment and during drinking water treatment. There are thousands of EDCs and PhACs in the environment, and the number of new chemicals increases each year, so the need for fate property data is growing. However, it is impossible to experimentally study the fate and transport of all such problematic chemicals. The primary goal of this work is therefore to utilize Quantitative Structure-Activity Relationship (QSAR) techniques to predict the removal of EDCs and PhACs by the four major fate and treatment routes mentioned previously. These routes may be generally categorized by two mechanisms: phase-partitioning (Henry's constant for air stripping, carbon adsorption) and destruction (hydrolysis at basic pH, biodegradation). Includes 22 references, figure.

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