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 39 for “"Octanol-water"”.
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Haemozoin formation, effects of chloroquine on iron distribution in Plasmodium falciparum and the correlation of thermordynamic and structural factors with 4-aminoquinoline activity
… of haemozoin, forms efficiently at pentanol/water, octanol/water and lipid/water interfaces, but to a lesser extent at toluene/water interface under physiological conditions of pH and temperature and does not form at all in the absence of the interface.
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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 Study of Capsaicin in Aqueous and Hydrophobic Environments
… molecular representations for capsaicin in an 1-octanol/water system. This inhomogeneous system is commonly used to determine the partition of compounds between hydrophilic and hydrophobic environments, as that found in biological membranes. The results of these simulations validate the OPLS …
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Molecular Modeling Of Energetic Materials And Chemical Warfare Agents
… 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 effective way of increasing the sensor …
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ΣΥΝΘΕΣΗ ΚΑΙ ΦΑΡΜΑΚΟΧΗΜΙΚΗ ΜΕΛΕΤΗ ΜΕΡΙΚΩΝ ΥΠΟΚΑΤΕΣΤΗΜΕΝΩΝ ΜΟΡΦΟΛΙΝΩΝ ΜΕ ΒΙΟΛΟΓΙΚΟ ΕΝΔΙΑΦΕΡΟΝ
… CONSTANTS (PKA'S) AND PARTITION COEFFICIENTS (N-OCTANOL-WATER OF THE SYNTHESIZED MORPHOLINES ARE DETERMINED EXPERIMENTALLY. THE RESULTS ARE DISCUSSED IN TERMS OF CONFORMATIONAL, INDUCTIVE AND STERIC EFFECTS. THE VALUES OF THE TWO ABOVEMENTIONED PHYSICOCHEMICAL PARAMETERS ARE PREDICTED USING THE …
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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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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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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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Characterization and Implications of Surface Hydrophobicity in Nanoparticle Fate and Transport
… determining hydrophobicity of NPs. The use of an octanol-water partitioning method analogous to that used for organic compounds was evaluated on the basis of trends anticipated by thermodynamics, and by experimental observations. This work shows that partitioning of NPs in two phases systems, such …
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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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Phototoxic target lipid model for predicting the toxicity of polycyclic aromatic hydrocarbons and petroleum to aquatic life
… in petroleum differ in their properties, such as octanol-water partitioning coefficients and molar absorption spectra, and each may exhibit phototoxicity. It is inefficient and impractical to conduct toxicity tests on all the chemicals and all the organisms of concern. Even if the testing was …
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Chemical profiling and environmental modelling of waste from clandestine methylamphetamine laboratories
… 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 values were found to be in accordance with computer estimated values produced from the environmental …
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The chemical speciation of potential dermally-absorbed copper-based antiinflamatory drugs
… of the copper complexes of these ligands, octanol/water distribution coefficient experiments were performed the pH range 2 to 10.5. The results confirm that charge neutrality of a species is important for tissue solubility. The superoxide radical the superoxide dismutase (SOD)-like activity …
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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
… was shown to lie between that of acetone and octanol with a Dimroth-Reichart ET(30) parameter of 45 kcal/mol. The lipophilicity of Fe(III)PPIX was validated by measuring the octanol-water partition coefficient, log DOW, as1.8 for the ionised form at pH 7.5 and a log P of 2.8 for the neutral …
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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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