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On page 1 showing 1 ~ 4 papers out of 4 papers

Impacts of Conformational Geometries in Fluorinated Alkanes.

  • Tim Brandenburg‎ et al.
  • Scientific reports‎
  • 2016‎

Research of blood substitute formulations and their base materials is of high scientific interest. Especially fluorinated microemulsions based on perfluorocarbons, with their interesting chemical properties, offer opportunities for applications in biomedicine and physical chemistry. In this work, carbon K-edge absorption spectra of liquid perfluoroalkanes and their parent hydrocarbons are presented and compared. Based on soft X-ray absorption, a comprehensive picture of the electronic structure is provided with the aid of time dependent density functional theory. We have observed that conformational geometries mainly influence the chemical and electronic interactions in the presented liquid materials, leading to a direct association of conformational geometries to the dissolving capacity of the presented perfluorocarbons with other solvents like water and possibly gases like oxygen.


Fluoro-recognition: New in vivo fluorescent assay for toluene dioxygenase probing induction by and metabolism of polyfluorinated compounds.

  • Kelly G Aukema‎ et al.
  • Environmental microbiology‎
  • 2022‎

The present study examined the regulatory and metabolic response of the aromatic degrader Pseudomonas putida F1 and its tod operon, controlling toluene degradation, to fluorinated aromatic and aliphatic compounds. The tod operon is upregulated by inducer binding to the TodS sensing domain of a two-component regulator. The induced enzymes include toluene dioxygenase that initiates catabolic assimilation of benzenoid hydrocarbons. Toluene dioxygenase was shown to oxidize 6-fluoroindole to a meta-stable fluorescent product, 6-fluoroindoxyl. The fluorescent output allowed monitoring relative levels of tod operon induction in whole cells using microtiter well plates. Mono- and polyfluorinated aromatic compounds were shown to induce toluene dioxygenase, in some cases to a greater extent than compounds serving as growth substrates. Compounds that are oxidized by toluene dioxygenase and undergoing defluorination were shown to induce their own metabolism. 1,2,4-Trifluorobenzene caused significant induction and computational modelling indicated productive binding to the TodS sensor domain of the TodST regulator. Toluene dioxygenase also showed preferential binding of 1,2,4-trifluorobenzene such that defluorination was favoured. Fluorinated aliphatic compounds were shown to induce toluene dioxygenase. An aliphatic ether with seven fluorine atoms, 1,1,1,2-tetrafluoro-2-trifluoromethoxy-4-iodobutane (TTIB), was an excellent inducer of toluene dioxygenase activity and shown to undergo transformation in cultures of P. putida F1.


1H-NMR Determination of Organic Compounds in Municipal Wastewaters and the Receiving Surface Waters in Eastern Cape Province of South Africa.

  • Adebayo I Farounbi‎ et al.
  • Molecules (Basel, Switzerland)‎
  • 2020‎

Surface water is the recipient of pollutants from various sources, including improperly treated wastewater. Comprehensive knowledge of the composition of water is necessary to make it reusable in water-scarce environments. In this work, proton nuclear magnetic resonance (1H-NMR) was combined with multivariate analysis to study the metabolites in four rivers and four wastewater treatment plants releasing treated effluents into the rivers. 1H-NMR chemical shifts of the extracts in CDCl were acquired with Bruker 400. Chemical shifts of 1H-NMR in chlorinated alkanes, amino compounds and fluorinated hydrocarbons were common to samples of wastewater and lower reaches or the rivers. 1H-NMR chemical shifts of carbonyl compounds and alkyl phosphates were restricted to wastewater samples. Chemical shifts of phenolic compounds were associated with treated effluent samples. This study showed that the sources of these metabolites in the rivers were not only from improperly treated effluents but also from runoffs. Multivariate analyses showed that some of the freshwater samples were not of better quality than wastewater and treated effluents. Observations show the need for constant monitoring of rivers and effluent for the safety of the aquatic environment.


A Review of Chemical Contaminants in Marine and Fresh Water Fish in Nigeria.

  • Abimbola Uzomah‎ et al.
  • Foods (Basel, Switzerland)‎
  • 2021‎

Pollutants in aquatic food are a major global concern for food safety and are a challenge to both national and international regulatory bodies. In the present work, we have reviewed available data on the concentrations of polycyclic aromatic hydrocarbons (PAH), persistent organic pollutants, metals, and microplastics in freshwater and marine fish in Nigeria with reference to international maximum levels for contaminants in food and the potential risk to human health. While most of the contaminant levels reported for fish do not imply any health issues, iron and lead may represent potentially toxic levels in fish from specific areas. Studies on PAHs in marine fish are scarce in Nigeria, and the main focus is on the environmental pollution caused by PAHs rather than on their presence in food. The findings suggest that the consumption of smoked Ethmalosa fimbriata poses a higher potential carcinogenic risk than the other fish species that were investigated. Most of the other studies on PAHs in smoked fish are focused on the smoking method, and little information is available on the initial level of PAHs prior to the smoking process. Metal contamination in fish appeared to be affected by mineral deposits in the environment and industrial effluents. In general, heavy metal levels in fish are below the maximum levels, while there is limited data available on POPs of relevance to food safety in fish from Nigeria, particularly in terms of dioxins, brominated flame retardants, and fluorinated compounds. Furthermore, there is currently limited information on the levels of microplastics in fish from Nigerian waters. This work revealed the need for a more systematic sampling strategy for fish in order to identify the most vulnerable species, the hot spots of contaminants, and applicable food safety control measures for fish produced and consumed in Nigeria.


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