By W. J. G. M. Peijnenburg, J. Damborský (auth.), Willie J. G. M. Peijnenburg, Jirí Damborský (eds.)
Biodegradation is the dominant pathway for the environmental transformation of such a lot chemical compounds and knowledge on a chemical's biodegradability is key for correct threat overview. yet there are few equipment for predicting even if a chemical is biodegradable, due to the fact that this relies at the chemical's constitution in addition to at the environmental stipulations that it encounters.
the current e-book offers with quantitative structure-biodegradability courting versions (QSBRs), emphasizing the organic and ecological a part of the biodegradation method. Surveys are given of the microbial facets of biodegradation and the equipment on hand for checking out biodegradability. New traits and techniques in biodegradation modelling are reviewed, together with contributions on automated biodegradability prediction platforms. the various newly built versions for assessing danger and ecological influence in aquatic and terrestrial environments were established, and this procedure is mentioned.
Audience: Scientists energetic in microbiology, the environmental sciences, biotechnology and bioremediation. coverage makers will locate the ebook fundamental in assessing the current cutting-edge at the biodegradability of substances.
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Additional resources for Biodegradability Prediction
Natural, Pesticidal and Various other Man-Made Compounds. Nat!. Acad. Sc. C. , and Talafous, J. (1994) META I. A Program for the Evaluation of Metabolic Transformation of Chemicals. 1. Chern. In! Cornput. Sci. 34: 1320-1325. Klopman, G. MultiCASE 1. (1992) A hierarchical computer automated structure evaluation program. Quantitative Structure-Activity Relationships 11: 176-184. S. (1993) Application of the Computer-Automated Structure Evaluation (CASE) Program to the Study of Structure-Biodegradation Relationships of Miscellaneous Chemicals.
Aerobic Biodegradation The data used in this part of the program was collected from all available literature sources. The construction of biodegradation databases is particularly difficult due to the wide variety of experimental conditions under which data is generated. The biodegradability of a compound is affected by several factors including microbe class or species, soil temperature, microbe population density, etc. The multitude of microbial species biodegrade chemicals in a number of different ways.
OH indicates the sensItIvIty of n-alkyl alcohols to oxidation. The outcome of the biotransformation is the corresponding carboxylic acid, presumably via the intermediacy of an aldehyde. Hence two transformation rules were written. One transformation corresponded to the oxidation of primary alcohols to aldehydes. The second rule was written to transform the resulting aldehyde to a carboxylic acid. These rules are illustrated as follows: OH -CH2-CHnFind: Replace: 0 =CH -CHn- . (n=1-2) COH-CHnFind: Replace: CO -CHn- <1-0H> (n=1-2) where COH is an aldehydic group and CO is a carbonyl group.