Works matching DE "OCTYL alcohol"
Results: 434
Polymer induced structures in cetylpyridinium chloride–octanol micellar system.
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- Journal of Polymer Research, 2009, v. 16, n. 5, p. 577, doi. 10.1007/s10965-008-9262-7
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Predicting octanol/water partition coefficients and pKa for the SAMPL7 challenge using the SM12, SM8 and SMD solvation models.
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- Journal of Computer-Aided Molecular Design, 2022, v. 36, n. 9, p. 687, doi. 10.1007/s10822-022-00474-1
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Predicting octanol/water partition coefficients using molecular simulation for the SAMPL7 challenge: comparing the use of neat and water saturated 1-octanol.
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- Journal of Computer-Aided Molecular Design, 2021, v. 35, n. 10, p. 1009, doi. 10.1007/s10822-021-00415-4
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Multi-phase Boltzmann weighting: accounting for local inhomogeneity in molecular simulations of water–octanol partition coefficients in the SAMPL6 challenge.
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- Journal of Computer-Aided Molecular Design, 2020, v. 34, n. 5, p. 471, doi. 10.1007/s10822-020-00285-2
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Uncovering abnormal changes in logP after fluorination using molecular dynamics simulations.
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- Journal of Computer-Aided Molecular Design, 2019, v. 33, n. 3, p. 345, doi. 10.1007/s10822-018-0183-1
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Solvation free energies and partition coefficients with the coarse-grained and hybrid all-atom/coarse-grained MARTINI models.
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- Journal of Computer-Aided Molecular Design, 2017, v. 31, n. 10, p. 867, doi. 10.1007/s10822-017-0059-9
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The influence of hydrogen bonding on partition coefficients.
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- Journal of Computer-Aided Molecular Design, 2017, v. 31, n. 2, p. 163, doi. 10.1007/s10822-016-0002-5
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Parameterization of an empirical model for the prediction of n-octanol, alkane and cyclohexane/water as well as brain/blood partition coefficients.
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- Journal of Computer-Aided Molecular Design, 2009, v. 23, n. 2, p. 105, doi. 10.1007/s10822-008-9243-2
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Hydrophobic molecular similarity from MST fractional contributions to the octanol/water partition coefficient.
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- Journal of Computer-Aided Molecular Design, 2005, v. 19, n. 6, p. 401, doi. 10.1007/s10822-005-7928-3
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- Article
Essential Oil Composition of Tordylium elegans.
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- Chemistry of Natural Compounds, 2015, v. 51, n. 5, p. 980, doi. 10.1007/s10600-015-1469-3
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Hydrophobicity constants for several xanthones and flavones.
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- Chemistry of Natural Compounds, 2011, v. 47, n. 1, p. 38, doi. 10.1007/s10600-011-9825-4
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- Article
Component composition of essential oils of Artemisia lercheana and A. sieversiana of the flora of Kazakhstan. Antimicrobial activity of A. sieversiana essential oil.
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- Chemistry of Natural Compounds, 2009, v. 45, n. 1, p. 120, doi. 10.1007/s10600-009-9232-2
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Elimination of C-8-functional groups from driman-8 α,11-diol-11-monoacetate and-diacetate.
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- Chemistry of Natural Compounds, 2007, v. 43, n. 4, p. 412, doi. 10.1007/s10600-007-0151-9
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Ambient Concentrations and Gas/Particle Partitioning of Polycyclic Aromatic Hydrocarbons in an Urban Site in Turkey.
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- Environmental Forensics, 2006, v. 7, n. 4, p. 303, doi. 10.1080/15275920600996099
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羊肚菌中Ca、Fe、Zn的体外消化吸收 及与其存在形态的相关性.
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- Modern Food Science & Technology, 2022, v. 38, n. 7, p. 19, doi. 10.13982/j.mfst.1673-9078.2022.7.0973
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Oxytetracycline Sorption to Organic Matter by Metal-Bridging.
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- Journal of Environmental Quality, 2005, v. 34, n. 6, p. 1964, doi. 10.2134/jeq2005.0014
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An Evaluation of the importance of the sampling step to the total analytical variance - A four-system field-based sampling intercomparison study for hydrophobic organic contaminants in the surface waters of the open Baltic Sea.
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- International Journal of Environmental Analytical Chemistry, 2003, v. 83, n. 3, p. 177, doi. 10.1080/0306731031000104263
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Prediction of Sorption Capacity of Activated Carbons.
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- Russian Journal of General Chemistry, 2018, v. 88, n. 13, p. 2928, doi. 10.1134/S1070363218130169
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Synthesis of 9-oxoselenoxanthenium and triarylselenonium hexafluorophosphates.
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- Russian Journal of General Chemistry, 2015, v. 85, n. 5, p. 1093, doi. 10.1134/S1070363215050163
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Complex formation between zinc(II) tetraphenylporphyrinate and alkylamines.
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- Russian Journal of General Chemistry, 2014, v. 84, n. 2, p. 320, doi. 10.1134/S1070363214020303
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Quantitative structure-property relationship: XXVI. Toxicity of aliphatic carboxylic acids.
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- Russian Journal of General Chemistry, 2006, v. 76, n. 1, p. 40, doi. 10.1134/S1070363206010099
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Quantitative Structure-Property Relationship: XXIV. Properties of Halo Derivatives of Methane, Silane, and Methylsilanes.
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- Russian Journal of General Chemistry, 2005, v. 75, n. 12, p. 1899, doi. 10.1007/s11176-006-0011-5
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Dependence of the Constant of the Mark‐Houwink Equation under Theta Conditions on the Bulk of Substituents for Hydrocarbon Polymers.
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- Journal of Macromolecular Science: Physics, 2006, v. 45, n. 6, p. 1183, doi. 10.1080/00222340600929717
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Tuning the Magnetic and Catalytic Properties of Manganese Ferrite through Zn 2+ Doping: Gas Phase Oxidation of Octanol.
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- Catalysts (2073-4344), 2023, v. 13, n. 12, p. 1473, doi. 10.3390/catal13121473
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Selective Production of Aromatics from 2-Octanol on Zinc Ion-Exchanged MFI Zeolite Catalysts.
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- Catalysts (2073-4344), 2015, v. 5, n. 4, p. 2122, doi. 10.3390/catal5042122
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Continuous Catalytic Hydrodeoxygenation of Guaiacol over Pt/SiO<sub>2</sub> and Pt/H-MFI-90.
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- Catalysts (2073-4344), 2015, v. 5, n. 3, p. 1152, doi. 10.3390/catal5031152
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Enzyme-Catalyzed Transetherification of Alkoxysilanes.
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- Catalysts (2073-4344), 2013, v. 3, n. 1, p. 27, doi. 10.3390/catal3010027
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Self-Coupling of Secondary Alcohols and α-Alkylation of Methyl Ketones with Secondary Alcohols by Pt/CeO Catalyst.
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- Topics in Catalysis, 2014, v. 57, n. 10-13, p. 1042, doi. 10.1007/s11244-014-0268-6
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Recording Evolution Supervised by a Genetic Algorithm for Quantitative Structure-Activity Relationship Optimization.
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- Applied Medical Informatics, 2010, v. 26, n. 1/2, p. 89
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Recording Evolution Supervised by a Genetic Algorithm for Quantitative Structure-Activity Relationship Optimization.
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- Applied Medical Informatics, 2010, v. 26, n. 2, p. 89
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Sensitive Determination of Five Priority Haloacetic Acids by Electromembrane Extraction with Capillary Electrophoresis.
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- Chinese Journal of Chemistry, 2015, v. 33, n. 2, p. 235, doi. 10.1002/cjoc.201400633
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Small-angle scattering and morphologies of ultra-flexible microemulsions.
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- Journal of Applied Crystallography, 2016, v. 49, n. 6, p. 2063, doi. 10.1107/S1600576716016150
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Octanol-rich and water-rich domains in dynamic equilibrium in the pre-ouzo region of ternary systems containing a hydrotrope.
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- Journal of Applied Crystallography, 2013, v. 46, n. 6, p. 1665, doi. 10.1107/S002188981302606X
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A new approach for simultaneous calculation of pIC<sub>50</sub> and logP through QSAR/QSPR modeling on anthracycline derivatives: a comparable study.
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- Journal of the Iranian Chemical Society, 2021, v. 18, n. 10, p. 2785, doi. 10.1007/s13738-021-02233-9
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Molecular Interaction Study of some ortho and para Substituted Anilines with 1-Octanol.
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- E-Journal of Chemistry, 2010, v. 7, n. 1, p. 308, doi. 10.1155/2010/686042
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Distribution Fitting 4. Benford Test on a Sample of Observed Genotypes Number from Running of a Genetic Algorithm.
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- Bulletin of the University of Agricultural Sciences & Veterinary Medicine Cluj-Napoca. Agriculture, 2009, v. 66, n. 1, p. 82
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Accumulation of contaminants of emerging concern in food crops-part 2: Plant distribution.
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- Environmental Toxicology & Chemistry, 2015, v. 34, n. 10, p. 2222, doi. 10.1002/etc.3068
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Somatic and gastrointestinal in vivo biotransformation rates of hydrophobic chemicals in fish.
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- Environmental Toxicology & Chemistry, 2015, v. 34, n. 10, p. 2282, doi. 10.1002/etc.3050
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- Article
The octanol-water partition coefficient: Strengths and limitations.
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- Environmental Toxicology & Chemistry, 2013, v. 32, n. 4, p. 732, doi. 10.1002/etc.2141
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Toxic concentrations in fish early life stages peak at a critical moment.
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- Environmental Toxicology & Chemistry, 2012, v. 31, n. 6, p. 1381, doi. 10.1002/etc.1836
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Database of published retention factors for immobilized artificial membrane HPLC and an assessment of the effect of experimental variability.
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- Environmental Toxicology & Chemistry, 2011, v. 30, n. 12, p. 2701, doi. 10.1002/etc.677
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Controlled field evaluation of water flow rate effects on sampling polar organic compounds using polar organic chemical integrative samplers.
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- Environmental Toxicology & Chemistry, 2010, v. 29, n. 11, p. 2461, doi. 10.1002/etc.305
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Relevance of octanol–water distribution measurements to the potential ecological uptake of multi-walled carbon nanotubes.
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- Environmental Toxicology & Chemistry, 2010, v. 29, n. 5, p. 1106, doi. 10.1002/etc.149
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TECHNICAL BASIS FOR POLAR AND NONPOLAR NARCOTIC CHEMICALS AND POLYCYCLIC AROMATIC HYDROCARBON CRITERIA. III. A POLYPARAMETER MODEL FOR TARGET LIPID PARTITIONING.
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- Environmental Toxicology & Chemistry, 2009, v. 28, n. 7, p. 1429, doi. 10.1897/08-364.1
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GLOBAL UNCERTAINTY AND SENSITIVITY ANALYSIS OF A FOOD-WEB BIOACCUMULATION MODEL.
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- Environmental Toxicology & Chemistry, 2009, v. 28, n. 4, p. 718, doi. 10.1897/08-102R.1
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WATER-COLUMN CONCENTRATIONS AND PARTITIONING OF POLYBROMINATED DIPHENYL ETHERS IN THE NEW YORK/NEW JERSEY HARBOR, USA.
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- Environmental Toxicology & Chemistry, 2008, v. 27, n. 8, p. 1636, doi. 10.1897/07-619.1
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MODELING POLYCYCLIC AROMATIC HYDROCARBON BIOACCUMULATION AND METABOLISM IN TIME-VARIABLE EARLY LIFE-STAGE EXPOSURES.
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- Environmental Toxicology & Chemistry, 2008, v. 27, n. 7, p. 1515, doi. 10.1897/07-355.1
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MEMBRANE-WATER PARTITIONING, MEMBRANE PERMEABILITY, AND BASELINE TOXICITY OF THE PARASITICIDES IVERMECTIN, ALBENDAZOLE, AND MORANTEL.
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- Environmental Toxicology & Chemistry, 2008, v. 27, n. 4, p. 909, doi. 10.1897/07-427.1
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In vitro-in vivo extrapolation of quantitative hepatic biotransformation data for fish. II. Modeled effects on chemical bioaccumulation.
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- Environmental Toxicology & Chemistry, 2007, v. 26, n. 6, p. 1304, doi. 10.1897/06-259R.1
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Quantum chemistry based quantitative structure-activity relationships for modeling the (sub)acute toxicity of substituted mononitrobenzenes in aquatic systems.
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- Environmental Toxicology & Chemistry, 2006, v. 25, n. 9, p. 2313, doi. 10.1897/05-678R.1
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