Physics Commons^™

Distribution Coefficients Of Ionized And Un-Ionized Halogenated Phenols In An Octanol-Water System And Their Relationship To Molecular Structure, Sven Hensler

Dissertations and Theses

Life supporting biological membranes are barriers to toxic chemicals. One of the factors determining the toxicity of chemical compounds is their distribution between membranes and their an environment. An octanol-water system is frequently used as a model for biological membranes to estimate the toxic potency of environmental pollutants. The distribution of a chemical between the octanol and the water phase is described by the octanol-water partition coefficient K_OW. This study is concerned with the relationship between K_OW and the molecular structure of the toxic chemical.

In the study the following trihalophenols were included: 2,4,6-trifluorophenol (TriFP), 2,4,6-trichlorophenol (TriCP); …

Distribution Of Ionized And Neutral Halogenated Phenols In An Octanol-Water Membrane Model System, Robert Word

Dissertations and Theses

The accumulation of xenobiotics, such as halogenated phenols, in soils, sediments, and living organisms is primarily a partitioning process between an aquatic and organic phase. It is traditional to use a bulk octanol-water system to model the partitioning of a compound between complex biological lipid membranes and aqueous media. The octanol-water partition coefficient K_OW successfully approximates the lipid membrane-water partition coefficient K_LipW of neutral compounds. However, the ionized species of substituted phenols were shown to have a higher affinity for lipid membranes than predicted from octanol-water results.

Data on the octanol-water partition coefficients of molecular ions is limited. …

Electrostatic Interactions At Membrane-Water Interfaces And Distribution Of 2, 4, 6-Trichlorophenol In A Membrane Model System, Isolde Sieder

Dissertations and Theses

It is generally accepted that biological membranes consist of a lipid bilayer matrix with proteins incorporated into the lipid bilayer. Typically, these membranes are negatively charged due to the presence of negatively charged lipids in the bilayer as well as negatively charged molecular groups on proteins. Biologically active molecules, such as environmental pollutants, enter the membrane from the aqueous phase by adsorption or partitioning into the lipid bilayer. The thesis consists of two parts. Part I is a computational study of spatial distribution of electric potential in the aqueous portion of the membrane-water interface using two models of charge distribution: …

Adsorption Of Halogenated Phenolate Ions To Egg-Phosphatidylcholine Vesicles, Andreas Blochel

Dissertations and Theses

In this study, parameters for the adsorption of several halogenated phenolate ions to egg-phosphatidylcholine vesicles have been determined by microelectrophoresis.