Global ETD Search
Search theses and dissertations gathered from participating repositories worldwide. Every result links back to the library that holds it. No account is needed.
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Showing 1 to 20 of 28 for “"Octanol-water Partition"”.
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How Atomic Level Interactions Drive Membrane Fusion: Insights From Molecular Dynamics Simulations
… of Ca2+ on their relative affinities.</p> <p>1-octanol-water partition coefficient (log Kow) of a solute is a key parameter used in the prediction of a wide variety of complex phenomena such as drug availability and bioaccumulation potential of trace contaminants. Adaptive biasing force method …
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Molecular Modeling Of Energetic Materials And Chemical Warfare Agents
… fate can be assessed by determining the partition coefficients, especially the octanol-water partition coefficient and Henry's law constant. For chemical warfare agents, the most important criteria for developing sensors is the detection selectivity. Carbon adsorbents are a simple and …
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Evaluation of different in vitro surrogates to represent nonspecific binding for tissue: plasma water partition coefficient predictions
… drug, accurate prediction of the tissue: plasma water partition coefficients (Kp,m) has become increasingly important. In these predictions, drug-lipid interactions have been traditionally described using the octanol: water partition coefficient (logP) and the vegetable: oil: water partition …
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Evaluation of a mitochondrial test for the determination of chemical toxicity
… correlation coefficient obtained was with the octanol-water partition coefficient. UC50 values were also compared to nine currently existing short-term toxicity tests. High degrees of correlation were obtained with several of these tests, including bacterial and fish bioassays. From the results …
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Bioavailability of organic contaminants in sediments.
… of lipophilic contaminants and other parameters (water extractable proportions and sediment-water partition coefficients) that describe the availability of these contaminants in the environment. Equilibration between sampler and sediment for PAHs and CBs was found to be adequately achieved after …
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Environmental fate and effects of atrazine, metolachlor, carbaryl and chlorothalonil in lotic ecosystems
… concentration was influenced by compound octanol-water partition coefficient and solubility. Pesticides with higher affinity to water and specific modes of action (atrazine and carbaryl) did not affect sediment microbial nutrient uptake. In contrast, pesticides with higher affinity to …
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The Toxicity of Hydroxylated Alkyl-Phenanthrenes to Embryonic Fish
… can affect toxicity and (4) the octanol-water partition coefficient (Kow) is a poor predictor of toxicity for hydroxylated APs derivatives.
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Limiting Activity Coefficients for Aqueous Solutions
… values for $\gamma\sp\infty$ of solutes in water at 25$\sp\circ$C were compiled and critically evaluated to form a database of high confidence for 120 compounds. Predictive expressions for $\gamma\sp\infty$ were analyzed for aqueous systems. The use of other thermodynamic measurements such …
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Chemical profiling and environmental modelling of waste from clandestine methylamphetamine laboratories
… and 2,6-di-tert-butylphenol. Environmental partition coefficients were measured experimentally for several of the identified waste components. The octanol-water partition coefficient (KOW) and the organic carbon partition coefficient (KOC) were measured following standard methods. The KOW …
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In vitro studies of dermally absorbed Cu(II) tripeptide complexes as potential anti-inflammatory drugs
… to study percutaneous skin absorption, namely octanol/water partition coefficients and Franz cell permeation.
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Development and Standardization of a Short-Term Assay for Evaluating Polluted Estuarine and Coastal Environments: The Medaka Embryo-Larval Assay
… surveys of lower Chesapeake Bay tributary water and sediment samples were performed using the MELA approach.</p> <p>The results indicate that the proposed assay is very useful for the evaluation of the developmental effects of individual toxicants as well as complex mixtures. The salinity …
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Interactions of ferriprotoporphyrin IX with neutral lipids and detergents: insights into their role in β-haematin formation
… to estimate the concentration of Fe(III)PPIX partitioned into Nile red stained neutral lipid droplets (NLBDs) over a pH range. The pH dependence was found to correlate with the charge of the Fe(III)PPIX molecule and the largest amount of Fe(III)PPIX partitioning was observed under the acidic …
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Therapeutic contact lenses for extended drug delivery
… is significantly dependent on the drug’s octanol-water partition coefficient, the hydrocarbon chain length and concentration of the cationic surfactant. Next, we focus on the use of unsaturated fatty acids in commercial contact lenses to extend the release of three cationic drugs. We …
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Sorption and bioaccumulation of neutral and ionizable wastewater-derived contaminants of emerging concern: exposure of edible crops via solid and liquid effluent streams
… sorption tests with sludge solids from wastewater treatment systems examined sorption to the solid phase of CECs during wastewater treatment. Compounds, including neutral, acidic and basic CECs, were evaluated for how sorptive behavior might differ for CECs in different states of charge. …
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Development of copper peptide complexes as anti-Inflammatory drugs
… also considered percutaneous skin absorption. Octanol/water partition coefficients and Franz cell permeation studies showed that the Cu(II) complexes are hydrophilic but that Sar-Gly-His caused a 2 fold increase in membrane permeability of Cu(II).
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Development of an analytical method to derive hydrophobicity parameters for use as descriptors for the prediction of the environmental and human health risk of chemicals
… has been characterised by the logarithm of the octanol/water partition coefficient (log P). Current experimental and predictive methods are limited in terms of applicability for compounds with extreme log P values, compounds ionised under the conditions of analysis and surface active agents. An …
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Molecular Simulation Study of Oil Hydrocarbons, Dispersants and Other Organics in Atmospheric Air/Water Interfaces
… 80) from Corexit dispersants at atmospheric air/water and air/seawater interfaces. All these compounds can significantly contribute to the formation of secondary organic aerosols (SOAs). Furthermore, our simulation work on IVOCs, SVOCs and Corexit surfactants, combining with experiments from the …
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Development of dermally absorbed copper(ii) complexes as potential anti-inflammatory drugs
… the complexes was estimated by measuring their octanol/water partition coefficients. All the complexes were found to be hydrophilic with log Poct/aq ranging from -3 to -2. Dermal absorption was estimated using an artificial membrane and a Franz cell. Only a moderate increase in membrane …
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Preformulation and Formulation Development of a Novel Radioprotectant Drug
… of acetonitrile:0.1% trifluroacetic acid in water (60:40, v:v) at a flow rate of 1 ml/min. The assay validation parameters evaluated include specificity, linearity, precision, accuracy and sensitivity. The retention time of the drug and the other effluents were well within seven minutes. …
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Metal complexes of anti-tubercular drugs
… and absorption using a Franz cell and octanol/water partition coefficients. Partition coefficient studies showed that ISO and PZA and their complexes are hydrophilic while RFN and PAS and their complexes are lipophilic. The incorporation of a metal-ion improves the …
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