Modeling Joint Effects of Mixtures of Chemicals on Microorganisms Using Quantitative Structure Activity Relationships

Abstract

Toxicity of 50 organic chemicals to activated sludge microorganisms was determined using the respirometeric technique. Using this experimental database, models for predicting toxicity (IC50 values) were developed using QSAR techniques. Toxicity measurements were also made for sixteen multi-component mixtures. The joint effects of organic chemicals in these mixtures were analyzed by three different approaches. Using the QSAR models developed from single chemical studies, an approach was developed to analyze and predict joint effects of chemicals in mixtures. The result of this study indicated that the joint effects could be considered simple additive for the different classes of chemicals tested. Using the results obtained during the first phase of this project for a surrogate test microorganism - Polytox, toxicity correlations were established between activated sludge and the test cultures.

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Document Details

Document Type
Technical Report
Publication Date
Aug 22, 1993
Accession Number
ADA274216

Entities

People

  • Nirmalak Kandan

Organizations

  • University of Greenwich

Tags

Communities of Interest

  • Materials and Manufacturing Processes

DTIC Thesaurus Topics

  • Alcohols
  • Alkenes
  • Chlorobenzene
  • Coefficients
  • Cyclohexanones
  • Data Science
  • Data Sets
  • Databases
  • Engineers
  • Equations
  • Fatty Acids
  • Information Science
  • Intervals
  • Measurement
  • Statistics
  • Toxicity
  • Water

Readers

  • Combustion science or combustion engineering.
  • Computational Modeling and Simulation
  • Environmental Engineering.