partition coefficient
Phase equilibrium and partition coefficient of selected pesticides and nitrophenols in double and triple-phase liquid-phase microextraction
... of partition coefficient and analysis of selected pesticides and nitrophenols in water ...the partition coefficient for the selected analytes that were found to be directly correlated to the ...
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Effective Parameters on the Partition Coefficient of Guanidine Hydrochloride in the Poly (Ethylene Glycol) +Phosphate +Water System at 298.15 K
... diagrams, partition coefficients and other thermody- namic data for the design of an industrial- scale process ...the partition coefficient of guanidine hydrochloride in these ...
9
QSAR Study of the octanol/water partition coefficient of organophosphorus compounds: The hybrid GA/MLR and GA/ANN approaches
... The QSAR method was applied to the prediction of the octanol/water par- tition coefficient of organophosphorous insecticides. The validation techniques, including leave-one-out cross validation, randomization ...
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SHORT COMMUNICATION: ESTIMATION AND QUANTITATIVE PREDICTION OF PARTITION COEFFICIENT OF SOME BENZOGLYCOLAMIDE ESTERS
... Although drug design constitutes the prime aspect of molecular modeling, a number of physical properties are also accessible with theoretical calculations. Molecular mechanics, semi empirical and ab initio methods can ...
9
Computational approaches to the predication of the octanol water partition coefficient (LogPo/w)
... n-octanol/water partition coefficient of anti-cancer ...of partition coefficient drug concentration ratios (log P) in humans is not possible, and to do so in animal models is expensive and ...
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QSAR PREDICTION OF N-OCTANOL/WATER PARTITION COEFFICIENT FOR POLYCHLORINATED BIPHENYLS
... octanol/water partition coefficient expressed as logKow is an important property for various applications in pharmacology, toxicology and medicinal chemistry (Leo, ...octanol/water partition ...
12
Computational approaches to the prediction of the 1 octanol/water partition coefficient of benzimidazole derivatives drugs
... quantum chemical descriptors, calculated at the level of the HF theory using 6-31+G** basis set for QSAR study of Benzimidazole derivatives was examined. The QSAR model developed contributed to a mechanistic ...
10
The protein binding substance Ibuprofen does not affect the T1 time or partition coefficient in contrast enhanced cardiovascular magnetic resonance
... We hypothesized that the protein bound fraction might be smaller and subsequently relaxivity lower resulting in longer T1 times for myocardium and blood post contrast administration when another drug with protein binding ...
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DFT Based QSAR Prediction of 1 Octanol/Water Partition Coefficient of Adamantine derivatives drugs
... A quantitative structure property relationship (QSPR) study was performed to develop a model that relates the structures of 39 ofAdamantine derivatives drugs to simple descriptors. The usefulness of the quantum chemical ...
8
Anatomic applications of xenon enhanced CT scanning: visual image analysis and brain blood partition coefficient studies in man
... When the arterial blood and brain concentration s of xenon are measured by CT , a reasonably accurate assessment of regional cerebral blood flow and brain-blood partition coefficient ,\ [r] ...
6
Effects of Salinity, pH and Temperature on the Octanol-Water Partition Coefficient of Bisphenol A
... [15] M. Müller and M. Nendza, Literature Study: Effects of Molecular Size and Lipid Solubility on Bioaccumulation Potential, Germany: Fraunhofer Institute for Molecular biology and Applied Ecology, 2007. [16] G. G. ...
5
QSPR study on the octanol/air partition coefficient of polybrominated diphenyl ethers by using molecular distance-edge vector index
... octanol/air partition of PBDEs may influence their fate, transport, and transformation in atmospheres ...tition coefficient (K OA ), which is defined as the ratio ...
7
Physicochemical descriptors for organic compounds of environmental importance
... dipolarity/polarizability the overall hydrogen bond basicity the logarithm of gas- hexadecane partition coefficient (log and the McGowan volume (Vx). The calculated descriptors for the PCBs were linearly ...
346
A REVIEW ON NANOSCIENCE
... – There is an opposite association between drug release and the partition coefficient of the drug. – Larger surface area due to smaller particle size in nanometric ran[r] ...
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Partitioning behavior of methylene blue in aqueous two phase systems
... rich phase. The relative order of the partition coefficient is PEO1500 > L64. This behavior indicates that the presence of PO segments in the macromolecule structure reduces the interaction between ...
6
Preparation of a 153Sm-5,10,15,20-tetrakis(4-methoxyphenyl) porphyrin complex as a possible therapeutic agent
... no. The measured octanol/water partition coefficient, P, for the complex was found to depend on the pH of the solution.. 6.5-8) through the tail vein of adult wild-ty[r] ...
8
A DFT Based QSARs Study of Benzimidazoles Drugs Derivatives
... correlation coefficient between the predicted and observed activities of compounds from a test set of molecules that was not used to develop the ...the partition coefficient octanol- water LogP o/w ...
8
Downstream Processing from Baeyer-Villiger Monooxygenase Bioconversions
... the partition coefficient, boiling point and m iscibility with the sample ...The partition o f the lactone product into this solvent is low ...
229
Three liquid phase extraction and separation of capsanthin and capsaicin from Capsicum annum L
... the partition- ing behaviour of capsaicin and ...The partition coefficient of capsanthin in method A and D was lower because when the TLPS was formed, there was more capsanthin in the form of small ...
6
Increased organic contaminant residence times in the urban riverbed due to the presence of highly sorbing sediments of the Anthropocene
... The sorption soil–water partition coefficient, Kd [L3M1], was then determined using: Kd ¼ q Cw ð2Þ Recognising sorption of hydrophobic contaminants occurs principally to organic matter, [r] ...
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