Search results for "partition coefficient"
showing 10 items of 146 documents
Interaction of Quinine with Model Lipid Membranes of Different Compositions
2002
The binding of a drug such as Quinine with neutral and negatively charged small unilamellar lipid vesicles at pH 7 and 37 degrees C was investigated. Changes in the fluorescence properties of the drug after association with the liposomes were used to obtain binding isotherms over a range of phospholipid compositions at different ionic strengths. Under such conditions, the association was strongly enhanced by the negative net charge of the bilayer but diminished by the increasing presence of electrolytes in the aqueous media. Binding data were analyzed in terms of a surface partition equilibrium without and after correcting for electrostatic effects by means of the Gouy-Chapman theory. The i…
Stationary–mobile phase distribution coefficient for polystyrene standards
2002
The measured shifts of the retention volume V R of polystyrene (PS) towards lower values in benzene–methanol (Bz–MeOH), and towards higher values in butanone–heptane (But–Hep) are in agreement with our theoretical model, in which both MeOH and But are adsorbed on Lichrospher. This paved way for us to model the chromatographic stationary (s)-phase as MeOH and the mobile (m)-phase as Bz–MeOH, and to calculate the distribution coefficients for PS. For But–Hep, the s-phase has been modeled as But, and the m-phase as But–Hep. A linear relation for the experimental equilibrium distribution P sm of PS is shown between the s- and m- phases in Bz–MeOH and But–Hep vs. the logarithm of the molecular m…
Predicting the bioaccumulation of polyaromatic hydrocarbons and polychlorinated biphenyls in benthic animals in sediments
2016
There were two main objectives in this study. The first was to compare the accuracy of different prediction methods for the chemical concentrations of polyaromatic hydrocarbons (PAHs) and polychlorinated biphenyls (PCBs) in the organism, based on the measured chemical concentrations existing in sediment dry matter or pore water. The predicted tissue concentrations were compared to the measured ones after 28-day laboratory test using oligochaeta worms (Lumbriculus variegatus). The second objective was to compare the bioaccumulation of PAHs and PCBs in the laboratory test with the in situ bioaccumulation of these compounds. Using the traditional organic carbon-water partitioning model, tissue…
Structure and composition of model cheeses influence sodium NMR mobility, kinetics of sodium release and sodium partition coefficients
2012
International audience; The mobility and release of sodium ions were assessed in model cheeses with three different lipid/protein ratios, with or without added NaCl. The rheological properties of the cheeses were analysed using uniaxial compression tests. Microstructure was characterised by confocal laser scanning microscopy. (23)Na nuclear magnetic resonance (NMR) spectroscopy was used to study the molecular mobility of sodium ions in model cheeses through measurements of the relaxation and creation times. Greater mobility was observed in cheeses containing a lower protein content and with added NaCl. The kinetics of sodium release from the cheese to an aqueous phase was correlated with th…
A novel approach to determining physicochemical and absorption properties of 6-fluoroquinolone derivatives: experimental assessment
2002
The ToSS MoDe approach is used to estimate the n-octanol/buffer partition coefficient, the apparent intestinal absorption rate constant and intestinal permeability from a 6-fluoroquinolone data set. Improved in silico methods for predicting a drug's ability to be transported across biological membranes and other biopharmaceutical properties is highly desirable to optimize new drug development. The physicochemical property (Log P) of 26 6-fluoroquinolone derivatives and the absorption properties (Log K(a) and Log P(eff)) of 21 derivatives were well described by the present approach. The models obtained confirm the important role of lipophilicity in the absorption process and its relation wit…
Intrinsic Absolute Bioavailability Prediction in Rats Based on In Situ Absorption Rate Constants and/or In Vitro Partition Coefficients: 6‐Fluoroquin…
2000
A preliminary study attempting to predict the intrinsic absolute bioavailability of a group of antibacterial 6-fluoroquinolones-including true and imperfect homologues as well as heterologues-was carried out. The intrinsic absolute bioavailability of the test compounds, F, was assessed on permanently cannulated conscious rats by comparing the trapezoidal normalized areas under the plasma concentration-time curves obtained by intravenous and oral routes (n = 8-12). The high-performance liquid chromatography analytical methods used for plasma samples are described. Prediction of the absolute bioavailability of the compounds was based on their intrinsic rat gut in situ absorption rate constant…
Biophysical Models as an Approach To Study Passive Absorption in Drug Development: 6-Fluoroquinolones
1995
A preliminary study attempting to assess and explain the intestinal absorption of a series of antibacterial 7-piperazinyl-6-fluoroquinolones is presented. The synthesis, n-octanol partition coefficients, intrinsic rat gut in situ absorption rate constants, and in vitro antibacterial activity data found for these homologous compounds are described. A fluorimetric, reverse-phase HPLC method was performed for the quantification of the quinolones in absorption and partition samples. Equations based on two classic biophysical absorption models are given for predicting the intrinsic absorption features of the series according to the partition data or merely single structural parameters. In situ a…
Calculations on solvents and co-solvents of single-wall carbon nanotubes: Cyclopyranoses
2005
Abstract (10,10) single-wall carbon nanotube (SWNT) presents consistency between relatively small solubility, and great partition coefficients and kinetic stability. Solubility of SWNTs is investigated in a variety of solvents, finding a class of non-hydrogen-bonding Lewis bases that provides good solubility. Electron affinity of d -glucopyranoses ( d -Glcpn) suggests colloids of negatively charged SWNTs in water.
Comparative evaluation of the swelling and degrees of cross-linking in three organic gel packings for SEC through some geometric parameters.
2003
Abstract The size exclusion chromatographic (SEC) behavior of five solvent/polymer systems in three organic column packings based on polystyrene/divinylbenzene (PS/DVB) copolymer, TSK-Gel H HR , μ-styragel and TSK-Gel H XL , has been compared. All the packings offer similar characteristics (pore size, particle size and efficiency) but some differences have been found when eluting the same systems. The different elution behavior observed in both polymeric gels has been analyzed in terms of their swelling and cross-linking degrees and of the fractal parameters. From the Universal Calibration plots, values of the chromatographic partition coefficient, K p , have been obtained and using some eq…
FINITE DIFFERENCE METHOD-BASED SIMULATION OF TEMPERATURE FIELDS FOR APPLICATION TO ORTHOGONAL CUTTING WITH COATED TOOLS
2005
ABSTRACT A finite difference method was proposed to model the effect of a variety of tool coatings on the magnitude and distribution of temperatures through the tool-chip contact region and the coating/substrate boundaries. For each workpiece-tool pair tested the intensity of uniformly distributed heat flux and relevant analytically obtained values of the heat partition coefficient were assumed to change with variations of cutting speed and the corresponding friction. In this case the simulation of an orthogonal machining of AISI 1045 steel was performed using special computing algorithm with elementary balances of induced energies (MBE). It is concluded that the temperature contours obtain…