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Second step of hydrolytic dehalogenation in haloalkane dehalogenase investigated by QM/MM methods

open access: yesProteins: Structure, Function and Bioinformatics, 2008
AbstractMechanistic studies on the hydrolytic dehalogenation catalyzed by haloalkane dehalogenases are of importance for environmental and industrial applications. Here, Car‐Parrinello (CP) and ONIOM hybrid quantum‐mechanical/molecular mechanics (QM/MM) are used investigate the second reaction step of the catalytic cycle, which comprises a general base‐
Michal Otyepka   +2 more
exaly   +6 more sources

Novel enzymic hydrolytic dehalogenation of a chlorinated aromatic

open access: yesScience, 1991
Microbial enzyme systems may be used in the biodegradation of persistent environmental pollutants. The three polypeptide components of one such system, the 4-chlorobenzoate dehalogenase system, have been isolated, and the chemical steps of the 4-hydroxybenzoate-forming reaction that they catalyze have been identified.
Patricia C Babbitt   +2 more
exaly   +5 more sources

Syntheses of marine ochtodane antifeedants via hydrolytic dehalogenation

open access: yesTetrahedron Letters, 1985
Abstract The syntheses of five naturally occurring antifeedants of the ochtodane ring system (1-ethyl-3,3-dimethylcyclohexane), previously isolated from the marine red alga Ochtodes crockeri , are reported. A key synthetic step involves the hydrolytic debromination of 6-bromo-1,4-ochtodien-3-ol.
Zegarski Joseph, Bruce M. Howard
exaly   +3 more sources

Role of reduced flavin in dehalogenation reactions

open access: yesArchives of Biochemistry and Biophysics, 2021
Halogenated organic compounds are extensively used in the cosmetic, pharmaceutical, and chemical industries. Several naturally occurring halogen-containing natural products are also produced, mainly by marine organisms.
Pablo Sobrado
exaly   +2 more sources

Hydrolytic dehalogenation of the chlorothalonil isomer o-tetrachlorophthalonitrile by Pseudochrobactrum sp. BSQ-1 [PDF]

open access: yesInternational Biodeterioration and Biodegradation, 2016
Abstract Microbial dehalogenation plays key roles in the biodegradation and detoxification of halogenated aromatics. Although the hydrolytic dehalogenation of halogenated aliphatic hydrocarbons and carboxylic acids has been extensively studied, there are few reports on the hydrolytic dehalogenation of halogenated aromatics. In this study, the aerobic
Shunpeng Li, Jiandong Jiang
exaly   +2 more sources
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Computer modelling of microbial hydrolytic dehalogenation

Pure and Applied Chemistry, 1998
Abstract
Jiří Damborsky
exaly   +2 more sources

Mechanism-based Quantitative Structure–Biodegradability Relationships for Hydrolytic Dehalogenation of Chloro- and Bromo-Alkenes

QSAR and Combinatorial Science, 1998
Jiří Damborsky   +2 more
exaly   +3 more sources

Identification of genes coding for hydrolytic dehalogenation in the metagenome derived from a denitrifying 4-chlorobenzoate degrading consortium [PDF]

open access: yesFEMS Microbiology Letters, 2008
A metagenomic approach was taken to investigate the genetic basis for the ability of an anaerobic consortium to grow on either 4-chlorobenzoate or 4-bromobenzoate under denitrifying conditions. Degenerate PCR primers were designed for the family of 4-chlorobenzoyl-CoA dehalogenase genes.
Jong-Chan Chae   +2 more
exaly   +3 more sources

Microbial dehalogenation [PDF]

open access: yesCurrent Opinion in Biotechnology, 2001
Novel dehalogenases have been identified recently in various bacteria that utilise halogenated substrates. X-ray studies and sequence analysis have revealed insight into the molecular mechanisms of hydrolytic dehalogenases.
Dick B Janssen, Gerrit J Poelarends
exaly   +2 more sources

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