Structure-activity relationships for biodegradation: A critical review

Peijnenburg, Willie J.G.M.

doi:10.1351/pac199466091931

Cited by 45 publications

(21 citation statements)

References 16 publications

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“…The major obstacle that precluded the development of better and reliable biodegradation models in the past was the absence of standardized and uniform biodegradation data for various chemical classes [61,62]. Several years ago, two databases of "high-quality" biodegradation data became generally available.…”

Section: Summary and Recommendationsmentioning

confidence: 99%

Modeling lifetime and degradability of organic compounds in air, soil, and water systems (IUPAC Technical Report)

Sabljić

Peijnenburg²

2001

Pure and Applied Chemistry

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Republication or reproduction of this report or its storage and/or dissemination by electronic means is permitted without the need for formal IUPAC permission on condition that an acknowledgmentAbstract: Degradability of organic compounds in air, soil, and water is the most important factor for evaluating their environment fate as well as possible adverse effects to humans and the environment. The primary degradation process in the troposphere is the reaction with the hydroxyl radical. For water and soil compartments, the primary degradation process is biodegradation. The objectives of this report are: (i) to review published models and their evaluation studies, (ii) to perform an in-house evaluation of general models for estimating tropospheric degradation and biodegradation of organic compounds, and (iii) to recommend reliable procedures for estimating degradability of organic compounds in the environment. The extensive evaluation procedure has shown that the most accurate method for estimating tropospheric degradation is Atkinson's group contribution method. Although this method has some limitations, it seems to be a method of choice. A viable alternative to Atkinson's method is a direct calculation, performed today almost routinely, of the reaction rate constants with hydroxyl radicals. Recently, a methodology based on reliable semiempirical potential energy surfaces was developed that enables the calculation of reaction rate constants within a factor of 2 of their measured values. A partial least squares (PLS) model and a set of seven biodegradation rules have been found to be the most reliable in estimating complete biodegradation of organic compounds. However, it is recommended to use all four evaluated methods to estimate biodegradation in the environment. If their results agree, such estimates are very reliable.

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Section: Summary and Recommendationsmentioning

confidence: 99%

Modeling lifetime and degradability of organic compounds in air, soil, and water systems (IUPAC Technical Report)

Sabljić

Peijnenburg²

2001

Pure and Applied Chemistry

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“…This limits the development of QSARs for biodegradation and biodegradation kinetics. Therefore, success of future developments in the QSAR area with respect to biodegradability will be dependent on the availability of high quality experimental data (Peijnenburg et al, 1995) and our ability to use these data and extrapolate them to the real environment.…”

mentioning

confidence: 99%

Guidance Document on the Validation of (Quantitative) Structure-Activity Relationship [(Q)SAR] Models

2014

OECD Series on Testing and Assessment

163

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“…For most organic chemicals, biodegradation is the principal abatement process in the environment [11]; hence, biodegradation is the most important processes influencing the behavior and associated toxicity of the pollutants in aquatic and terrestrial ecosystems [12].…”

Section: Introductionmentioning

confidence: 99%

Modeling of Biological Water and Wastewater Treatment Processes Using Artificial Neural Networks

Khataee¹,

Kasiri²

2011

CLEAN Soil Air Water

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A growing world population, unrelenting urbanization, increasing scarcity of good quality water resources, and rising fertilizer applications are the driving forces behind the accelerating upward trend in the use of efficient methods of water and wastewater treatment such as biological processes. Due to the complexity of the reactions in biological processes, a few studies have been performed involving the modeling of biological removal of water pollutants. Thus, the application of the artificial neural networks (ANNs) to predict the performance of the biological systems has been attempted. ANNs are computer-based systems that are designed to simulate the learning process of neurons in the human brain. One of the characteristics of modeling based on ANNs is that it does not require the mathematical description of the phenomena involved in the process. This review article describes the application of ANNs for modeling of biological water and wastewater treatment processes. Examples of early applications of ANNs in modeling and simulation of biological water and wastewater treatment processes in the presence of various microalgae, macroalgae, bacteria, microbes, yeasts, anaerobic sludge, aerated submerged biofilms, and submerged membrane bioreactors are reviewed.

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Structure-activity relationships for biodegradation: A critical review

Cited by 45 publications

References 16 publications

Modeling lifetime and degradability of organic compounds in air, soil, and water systems (IUPAC Technical Report)

Modeling lifetime and degradability of organic compounds in air, soil, and water systems (IUPAC Technical Report)

Guidance Document on the Validation of (Quantitative) Structure-Activity Relationship [(Q)SAR] Models

Modeling of Biological Water and Wastewater Treatment Processes Using Artificial Neural Networks

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