QSAR Models for Cytotoxicity of Chlorinated Alkanes

Knowledge on the degree of toxicity of aliphatic hydrocarbons and their derivatives has become essential for environmental safety and security. In the present study, an effort has been put forth to analyze the toxicity of aliphatic hydrocarbons. This work focuses on development of new QSAR models with various DFT based descriptors. Cytotoxicity of Chlorinated alkanes with experimental activity log EC50 Values are utilized to obtain QSTR models

Remediation of Chlorinated Alkanes by Vitamin B12 and Zero-Valent Iron

Chlorinated alkanes were heavily used in a wide range of industrial applications including as degreasers, paint strippers, chemical intermediates, and soil fumigants. These compounds are an environmental concern due to the adverse health effects associated with them and have been detected in environmental matrices including soils and groundwater. Chlorinated alkanes are recalcitrant, and current remediation methods that employ zero-valent iron (ZVI) are unable to directly dehalogenate these compounds, limiting the available approaches for in situ remediation of these widely utilized chemicals. This study employed a novel approach for the remediation of 1,2,3-trichloropropane (TCP), 1,2-dichloropropane (1,2-DCP), 1,3-dichloropropane (1,3-DCP), 1-chloropropane (1-CP), and 1,2-dichloroethane (1,2-DCA) in the presence of ZVI and vitamin B12, a naturally occurring electron mediator. Batch reactions were performed in order to determine a kinetic model for the associated degradation mechanisms. Dechlorination byproducts were confirmed through gas chromatography-mass spectrometry (GC-MS) coupled to a purge and trap. Free chloride was quantified by ion chromatography (IC) utilizing suppressed conductivity detection. In the absence of vitamin B12, reductive dechlorination of chlorinated alkanes was observed to not occur when exposed to only reactive ZVI particles (<5 μm). However, in the presence of ZVI combined with vitamin B12, complete reductive dechlorination was observed and followed a pseudo-first-order reaction.

Oxidation of chlorinated alkanes over Co3O4/SBA-15 catalysts. Structural characterization and reaction mechanism

This work presents novel results on the application of Co3O4/SBA-15 catalysts for the oxidation of chlorinated hydrocarbons.

Dehalogenimonas alkenigignens sp. nov., a chlorinated-alkane-dehalogenating bacterium isolated from groundwater

Two strictly anaerobic bacterial strains, designated IP3-3T and SBP-1, were isolated from groundwater contaminated by chlorinated alkanes and alkenes at a Superfund Site located near Baton Rouge, Louisiana (USA). Both strains reductively dehalogenate a variety of polychlorinated aliphatic alkanes, including 1,2-dichloroethane, 1,2-dichloropropane, 1,1,2,2-tetrachloroethane, 1,1,2-trichloroethane and 1,2,3-trichloropropane, when provided with hydrogen as the electron donor. To clarify their taxonomic position, strains IP3-3T and SBP-1 were characterized using a polyphasic approach. Both IP3-3T and SBP-1 are mesophilic, non-spore-forming, non-motile and Gram-stain-negative. Cells of both strains are irregular cocci with diameters of 0.4–1.1 µm. Both are resistant to ampicillin and vancomycin. The genomic DNA G+C contents of strains IP3-3T and SBP-1 are 55.5±0.4 and 56.2±0.2 mol% (HPLC), respectively. Major cellular fatty acids include C18 : 1ω9c, C16 : 0, C14 : 0 and C16 : 1ω9c. 16S rRNA gene sequence based phylogenetic analyses indicated that the strains cluster within the phylum Chloroflexi most closely related to but distinct from the species Dehalogenimonas lykanthroporepellens (96.2 % pairwise similarity) and Dehalococcoides mccartyi (90.6 % pairwise similarity). Physiological and chemotaxonomic traits as well as phylogenetic analysis support the conclusion that these strains represent a novel species within the genus Dehalogenimonas for which the name Dehalogenimonas alkenigignens sp. nov. is proposed. The type strain is IP3-3T ( = JCM 17062T = NRRL B-59545T).