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 so much chemical compounds and data on a chemical's biodegradability is key for correct hazard evaluate. 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 ebook offers with quantitative structure-biodegradability courting versions (QSBRs), emphasizing the organic and ecological a part of the biodegradation technique. Surveys are given of the microbial points of biodegradation and the equipment to be had for trying out biodegradability. New traits and techniques in biodegradation modelling are reviewed, together with contributions on automatic biodegradability prediction platforms. a few of the newly built types for assessing probability and ecological impression in aquatic and terrestrial environments were established, and this approach is mentioned.
Audience: Scientists energetic in microbiology, the environmental sciences, biotechnology and bioremediation. coverage makers will locate the booklet quintessential in assessing the current state-of-the-art at the biodegradability of substances.
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Additional info for Biodegradability Prediction
We are currently working on reviewing and analyzing a more comprehensive database of over 500 compounds with experimental data on biodegradation rates and percent biodegradability taken from work by Pitter and Chudoba . There also exists a number of genetically engineered bacteria, which were designed to target specific agents. Our current program does not specifically cover these bacteria. It is our intention however, to create appropriate modules to simulate biodegradation data related to genetically modified bacteria.
Comput. Sci. 28:31. , and Wang, S. (1991) A computer automated structure evaluation (CASE) approach to calculation of partition coefficient. 1. Compo Chem. 12: 10251032. M. (1992) Estimation of aqueous solubility of organic molecules by the group contribution approach. Application to the study of biodegradation. 1. Chem. In! Comput. Sci. 32:474-482. , Klopman, G. (1988) A New Tool for the Rapid Estimation of Charge Distribution. 1. Compo Chem. 9:893-904. (1992) The Rapid Estimation of Charge Distribution II.
These reactions have been documented as important steps in the bacterial degradation of aliphatic hydrocarbons . For aromatic chemicals, transformation rules of hydroxylating aromatic rings were written corresponding to other biophores, and a series of transformation rules were also written to cover artha and meta ring cleavage after hydroxylation. The initial set of transformation rules was then tested with chemicals whose metabolites were known. This procedure led to the identification of other rules that needed to be incorporated into the dictionary, and helped us to adjust priorities and to evaluate the generality of the transformation rules.
Biodegradability Prediction by W. J. G. M. Peijnenburg, J. Damborský (auth.), Willie J. G. M. Peijnenburg, Jirí Damborský (eds.)