A new class of easily activated palladium precatalysts for facile C-N cross-coupling reactions and the low temperature oxidative addition of aryl chlorides.
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Effect of disinfectants on variola virus in cell culture.
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Twenty kinds of disinfectants were examined for ability to inactivate variola virus. Cytopathic effect and plaque formation on monolayer cultures of an established monkey kidney cell line were used as indicators of virus inactivation. A micromethod using microplate cultures, and not requiring a CO2 incubator, was adopted. The procedures were straightforward, showing good reproducibility. Among the compounds tested, several were found to be superior because of the minimum concentrations required for complete inactivation of virus. The purified viruses were shown to be more sensitive to the compounds than were the crude samples. The virus inactivation kinetics curves were determined by plaque counting. The usefulness of this method for quantitative analysis of disinfecting effect is suggested. (+info)
Molecular properties of oxyconazole and tioconazole as the criteria for their bioavailability estimation.
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The use of hydration and solvatation free enthalpies (DeltaG(h), DeltaG(s)) as parameters describing water solubility and permeability of drugs was proved to be suitable quantities. The free enthalpies of hydration and solvation by water and chlorobenzene molecules at the Hartree-Fock (6-31G*) level applying PCM model were calculated for oxyconazole and tioconazole. The oxyconazole and tioconazole differ in water and chlorobenzene solubility, what is reflected in calculated DeltaG values and electrostatic potential. These characteristics discriminate both compounds with respect to water solubility and permeability. It may be concluded that the DeltaG values of hydration and solvation adequately reflect the water solubility and permeability of oxyconazole and tioconazole. (+info)
A study on the synthesis of calix[4 and 6]arenes using alternately arranged phloroglucinols and p-tert-butylphenols.
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A method for the synthesis of calix[4 and 6]arenes with two or three alternately arranged phloroglucinols and p-tert-butylphenols was studied using "3+1" and "5+1" approaches, compared to a simple one-pot synthesis based on a "1+1" approach. By using Yb(OTf)3 as a catalyst, each calix[4 and 6]arenes was afforded, in an overall yield of 20.7% and 11.8% in the "3+1" and "5+1" approaches, respectively, and 24.6% and 19.9% using a "1+1" approach with chlorobenzene and toluene as refluxing solvents, respectively. (+info)
Dechlorination of individual congeners in aroclor 1248 as enhanced by chlorobenzoates, chlorophenols, and chlorobenzenes.
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Previous investigations showed that three classes of haloaromatic compounds (HACs; chlorobenzoates, chlorophenols, and chlorobenzenes) enhanced the reductive dechlorination of Aroclor 1248, judging from the overall extent of reduction in Cl atoms on the biphenyl. In the present study, we further investigated the kind of polychlorinated biphenyl (PCB) congeners involved in the enhanced dechlorination by four isomers belonging to each class (2,3-, 2,5-, 2,3,5-, and 2,4,6-chlorobenzoates; 2,3-, 3,4-, 2,5-, and 2,3,6-chlorophenols; and 1,2-, 1,2,3-, 1,2,4-, and penta-chlorobenzenes). Although the PCB congeners involved in the enhanced dechlorination varied with the HACs, the enhancement primarily involved paradechlorination of the same congeners (2,3,4'-, 2,3,4,2'- plus 2,3,6,4'-, 2,5,3',4'- plus 2,4,5,2',6'-, and 2,3,6,2',4'- chlorobiphenyls), regardless of the HACs. These congeners are known to have low threshold concentrations for dechlorination. To a lesser extent, the enhancement also involved meta dechlorination of certain congeners with high threshold concentrations. There was no or less accumulation of 2,4,4'- and 2,5,4'-chlorobiphenyls as final products under HAC amendment. Although the dechlorination products varied, the accumulation of orthosubstituted congeners, 2-, 2,2'-, and 2,6-chlorobiphenyls, was significantly higher with the HACs, indicating a more complete dechlorination of the highly chlorinated congeners. Therefore, the present results suggest that the enhanced dechlorination under HAC enrichment is carried out through multiple pathways, some of which may be universal, regardless of the kind of HACs, whereas others may be HAC-specific. (+info)
Scope of the Suzuki-Miyaura cross-coupling reaction of potassium trifluoroboratoketohomoenolates.
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Transcription analysis of genes encoding homologues of reductive dehalogenases in "Dehalococcoides" sp. strain CBDB1 by using terminal restriction fragment length polymorphism and quantitative PCR.
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Ferric oxide mediated formation of PCDD/Fs from 2-monochlorophenol.
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The copper oxide surface-mediated formation of polychlorinated dibenzo-p-dioxins and dibenzofurans (PCDD/Fs)from precursors such as chlorinated phenols is considered to be a major source of PCDD/F emissions from combustion sources. Even though iron oxide is present at 2-50 times higher concentrations than copper oxide, virtually no studies of the iron oxide mediated formation of PCDD/Fs have been reported in the literature. We have performed packed-bed, flow-reactor studies of the reaction of 50 ppm gas-phase 2-monochlorophenol (2-MCP) over a surface of 5% iron oxide on silica over a temperature range of 200-500 degrees C. Dibenzo-p-dioxin (DD), 1-monochlorodibenzo-p-dioxin (1-MCDD), 4,6-dichlorodibenzofuran (4,6-DCDF), and dibenzofuran (DF) were formed in maximum yields of 0.2%, 0.1%, 0.3%, and 0.4%, respectively. The yield of PCDD/Fs over iron oxide peaked at temperatures 50-100 degrees C higher in temperature than they peak over copper oxide. The maximum yields of DD, 1-MCDD were 2 times and for 4,6-DCDF was 5 times higher over iron oxide than over copper oxide, whereas DF was not observed at all for copper oxide. The resulting PCDD/PCDF ratio was 0.39 for iron oxide versus 1.2 observed copper oxide, which is in agreement with PCDD/PCDF ratios in full-scale combustors that are typically <<1. The combination of 2-50 times higher concentrations of iron oxide than copper oxide in most full-scale combustors and 2.5 times higher yields of PCDD/Fs observed in the laboratory suggests that iron oxide might contribute as much as 5-125 times more than copper oxide to the emissions of PCDD/Fs from full-scale combustors. (+info)