Biomaterial Database

Predicted environmental concentrations of cocaine and benzoylecgonine in a model environmental system. 2009

Xavier Domènech, and José Peral, and Ivan Muñoz

Departament de Química, Universitat Autònoma de Barcelona, 08193 Cerdanyola del Vallès, Spain. xavier.domenech@uab.cat

A Mackay-type level II fugacity model has been used to predict the behaviour and final concentrations of cocaine (COC) and its main metabolite benzoylecgonine (BE) in a regional environmental system defined according to the European guidelines on Risk Assessment. The model takes into account the initial COC intake, partial degradation of the parent compound to BE, treatment of wastewater and environmental fate of these substances. Predicted environmental concentrations (PECs) lie in the ngL(-1) level, with the exception of the air compartment, where the concentrations are negligible. PECs in the water phase are in accordance with measured experimental concentrations in different European rivers. This case study shows that a simple level II fugacity model is suitable enough for modelling the environmental fate of high water soluble and low volatile organic compounds such as pharmaceuticals and personal care products.

UI	MeSH Term	Description	Entries
D008956	Models, Chemical	Theoretical representations that simulate the behavior or activity of chemical processes or phenomena; includes the use of mathematical equations, computers, and other electronic equipment.	Chemical Models,Chemical Model,Model, Chemical
D003042	Cocaine	An alkaloid ester extracted from the leaves of plants including coca. It is a local anesthetic and vasoconstrictor and is clinically used for that purpose, particularly in the eye, ear, nose, and throat. It also has powerful central nervous system effects similar to the amphetamines and is a drug of abuse. Cocaine, like amphetamines, acts by multiple mechanisms on brain catecholaminergic neurons; the mechanism of its reinforcing effects is thought to involve inhibition of dopamine uptake.	Cocaine HCl,Cocaine Hydrochloride,HCl, Cocaine,Hydrochloride, Cocaine
D004784	Environmental Monitoring	The monitoring of the level of toxins, chemical pollutants, microbial contaminants, or other harmful substances in the environment (soil, air, and water), workplace, or in the bodies of people and animals present in that environment.	Monitoring, Environmental,Environmental Surveillance,Surveillance, Environmental
D004785	Environmental Pollutants	Substances or energies, for example heat or light, which when introduced into the air, water, or land threaten life or health of individuals or ECOSYSTEMS.	Environmental Pollutant,Pollutant,Pollutants,Pollutants, Environmental,Pollutant, Environmental
D005544	Forecasting	The prediction or projection of the nature of future problems or existing conditions based upon the extrapolation or interpretation of existing scientific data or by the application of scientific methodology.	Futurology,Projections and Predictions,Future,Predictions and Projections