Relationship between gas chromatographic retention of polychlorinated dibenzofurans and calculated molecular surface area

Dunn, William J.; Köehler, Michael; Stalling, David L.; Schwartz, Ted R.

doi:10.1021/ac00121a051

Cited by 25 publications

(1 citation statement)

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“…The structures of several PCBs and PBBs have been shown to strongly influence retention behavior in both gas and liquid chromatography (Robertson et al, 1984; de Kok et al, 1977). Likewise, for many classes of compounds an excellent correlation between HPLC and GC retention times and the corresponding calculated molecular surface area (SA) has been demonstrated (Dunn et al, 1986;Móckel et al, 1987a-d). In order to explore such a correlation for polyhalogenated biphenyls and to eventually predict the structure of unknown compounds, we present © here the calculated molecular surface areas for the investigated polyhalogenated biphenyls.…”

mentioning

confidence: 99%

Relationship between liquid and gas chromatographic retention behavior and calculated molecular surface area of selected polyhalogenated biphenyls

Hoefler¹,

Melzer²,

Moeckel³

et al. 1988

J. Agric. Food Chem.

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mentioning

confidence: 99%

Relationship between liquid and gas chromatographic retention behavior and calculated molecular surface area of selected polyhalogenated biphenyls

Hoefler¹,

Melzer²,

Moeckel³

et al. 1988

J. Agric. Food Chem.

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Selektivität der Trennung der PXDD und PXDF in der Kapillar‐GC am Beispiel einiger ausgewählter Trennphasen

Ballschmiter

Bacher

1996

Dioxine

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Prediction of uptake dynamics of persistent organic pollutants by bacteria and phytoplankton

Vento

Dachs

2002

Enviro Toxic and Chemistry

117

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Phytoplankton and bacteria play an important role on the biogeochemical cycles of persistent organic pollutants (POPs). However, experimental data and quantitative knowledge of the kinetics of uptake and depuration of most POPs by bacteria and phytoplankton are scarce. In the present paper, a procedure to predict the sorption kinetics to bacteria and phytoplankton is developed. The prediction method is the combination of a mechanistic model for sorption and quantitative structure-activity relationships relating bioconcentration factors and membrane permeability to the chemical physical-chemical properties. The model consists of two compartments where the first compartment is the cellular surface and the second compartment is the cell biomass or matrix. Equations for estimating uptake and depuration rate constants into the matrix and adsorption and desorption rate constants onto the surface are obtained. These expressions depend on the physical-chemical properties of the chemical, the environmental temperature, the microorganism size, and species-specific quality of organic matter. While microorganism shape has a secondary influence on uptake dynamics, microorganism size and chemical hydrophobicity arise as the key factors controlling the kinetics of POP incorporation into bacteria and plankton. Uptake, depuration, adsorption, and desorption rate constants are reported for POPs such as polychlorinated biphenyls (PCBs), polycyclic aromatic hydrocarbons (PAHs), polychlorinated dioxins and furans (PCDD/Fs), and POPs of emerging concern, such as polybrominated diphenyl ethers (PBDEs). Finally, implications of uptake and depuration dynamics on the biogeochemical cycling of POPs are discussed.

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Relationship between gas chromatographic retention of polychlorinated dibenzofurans and calculated molecular surface area

Cited by 25 publications

References 13 publications

Relationship between liquid and gas chromatographic retention behavior and calculated molecular surface area of selected polyhalogenated biphenyls

Relationship between liquid and gas chromatographic retention behavior and calculated molecular surface area of selected polyhalogenated biphenyls

Selektivität der Trennung der PXDD und PXDF in der Kapillar‐GC am Beispiel einiger ausgewählter Trennphasen

Prediction of uptake dynamics of persistent organic pollutants by bacteria and phytoplankton

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