Works matching DE "OCTYL alcohol"

Results: 433

Polymer induced structures in cetylpyridinium chloride–octanol micellar system.

Published in:

Journal of Polymer Research, 2009, v. 16, n. 5, p. 577, doi. 10.1007/s10965-008-9262-7

By:

Parathakkatt, Sudheesh;
George, Jinu;
Sankarakutty, Sajeev Moothandassery;
Sreejith, Lisa

Publication type:

Article

Predicting octanol/water partition coefficients and pKa for the SAMPL7 challenge using the SM12, SM8 and SMD solvation models.

Published in:

Journal of Computer-Aided Molecular Design, 2022, v. 36, n. 9, p. 687, doi. 10.1007/s10822-022-00474-1

By:

Rodriguez, Sergio A.;
Tran, Jasmine Vy;
Sabatino, Spencer J.;
Paluch, Andrew S.

Publication type:

Article

Predicting octanol/water partition coefficients using molecular simulation for the SAMPL7 challenge: comparing the use of neat and water saturated 1-octanol.

Published in:

Journal of Computer-Aided Molecular Design, 2021, v. 35, n. 10, p. 1009, doi. 10.1007/s10822-021-00415-4

By:

Sabatino, Spencer J.;
Paluch, Andrew S.

Publication type:

Article

Multi-phase Boltzmann weighting: accounting for local inhomogeneity in molecular simulations of water–octanol partition coefficients in the SAMPL6 challenge.

Published in:

Journal of Computer-Aided Molecular Design, 2020, v. 34, n. 5, p. 471, doi. 10.1007/s10822-020-00285-2

By:

Krämer, Andreas;
Hudson, Phillip S.;
Jones, Michael R.;
Brooks, Bernard R.

Publication type:

Article

Uncovering abnormal changes in logP after fluorination using molecular dynamics simulations.

Published in:

Journal of Computer-Aided Molecular Design, 2019, v. 33, n. 3, p. 345, doi. 10.1007/s10822-018-0183-1

By:

Liu, Kai;
Kokubo, Hironori

Publication type:

Article

Solvation free energies and partition coefficients with the coarse-grained and hybrid all-atom/coarse-grained MARTINI models.

Published in:

Journal of Computer-Aided Molecular Design, 2017, v. 31, n. 10, p. 867, doi. 10.1007/s10822-017-0059-9

By:

Genheden, Samuel

Publication type:

Article

The influence of hydrogen bonding on partition coefficients.

Published in:

Journal of Computer-Aided Molecular Design, 2017, v. 31, n. 2, p. 163, doi. 10.1007/s10822-016-0002-5

By:

Borges, Nádia;
Kenny, Peter;
Montanari, Carlos;
Prokopczyk, Igor;
Ribeiro, Jean;
Rocha, Josmar;
Sartori, Geraldo

Publication type:

Article

Parameterization of an empirical model for the prediction of n-octanol, alkane and cyclohexane/water as well as brain/blood partition coefficients.

Published in:

Journal of Computer-Aided Molecular Design, 2009, v. 23, n. 2, p. 105, doi. 10.1007/s10822-008-9243-2

By:

Zerara, Mohamed;
Brickmann, Jürgen;
Kretschmer, Robert;
Exner, Thomas E.

Publication type:

Article

Hydrophobic molecular similarity from MST fractional contributions to the octanol/water partition coefficient.

Published in:

Journal of Computer-Aided Molecular Design, 2005, v. 19, n. 6, p. 401, doi. 10.1007/s10822-005-7928-3

By:

Muñoz-Muriedas, Jordi;
Perspicace, Samantha;
Bech, Nuria;
Guccione, Salvatore;
Orozco, Modesto;
Luque, F. Javier

Publication type:

Article

Essential Oil Composition of Tordylium elegans.

Published in:

Chemistry of Natural Compounds, 2015, v. 51, n. 5, p. 980, doi. 10.1007/s10600-015-1469-3

By:

Kurkcuoglu, Mine;
Tosun, Alev;
Duran, Ahmet;
Duman, Hayri;
Baser, K.

Publication type:

Article

Hydrophobicity constants for several xanthones and flavones.

Published in:

Chemistry of Natural Compounds, 2011, v. 47, n. 1, p. 38, doi. 10.1007/s10600-011-9825-4

By:

Pogodaeva, N. N.;
Medvedeva, S. A.;
Sukhov, B. G.;
Shishmareva, T. M.

Publication type:

Article

Component composition of essential oils of Artemisia lercheana and A. sieversiana of the flora of Kazakhstan. Antimicrobial activity of A. sieversiana essential oil.

Published in:

Chemistry of Natural Compounds, 2009, v. 45, n. 1, p. 120, doi. 10.1007/s10600-009-9232-2

By:

Suleimenov, E.;
Ozek, T.;
Demirci, F.;
Demirci, B.;
Baser, K.;
Adekenov, S.

Publication type:

Article

Elimination of C-8-functional groups from driman-8 α,11-diol-11-monoacetate and-diacetate.

Published in:

Chemistry of Natural Compounds, 2007, v. 43, n. 4, p. 412, doi. 10.1007/s10600-007-0151-9

By:

Kuchkova, K. I.;
Aryku, A. N.;
Barba, A. N.;
Vlad, P. F.

Publication type:

Article

Ambient Concentrations and Gas/Particle Partitioning of Polycyclic Aromatic Hydrocarbons in an Urban Site in Turkey.

Published in:

Environmental Forensics, 2006, v. 7, n. 4, p. 303, doi. 10.1080/15275920600996099

By:

Esen, Fatma;
Cindoruk, S.Siddik;
Tasdemir, Yücel

Publication type:

Article

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.

Published in:

Modern Food Science & Technology, 2022, v. 38, n. 7, p. 19, doi. 10.13982/j.mfst.1673-9078.2022.7.0973

By:

薛淑静;
杨德;
卢琪;
史德芳;
姚芬;
陈健;
李露

Publication type:

Article

Oxytetracycline Sorption to Organic Matter by Metal-Bridging.

Published in:

Journal of Environmental Quality, 2005, v. 34, n. 6, p. 1964, doi. 10.2134/jeq2005.0014

By:

MacKay, Allison A.;
Canterbury, Brian

Publication type:

Article

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.

Published in:

International Journal of Environmental Analytical Chemistry, 2003, v. 83, n. 3, p. 177, doi. 10.1080/0306731031000104263

By:

Sobek, Anna;
Gustafsson, Örjan;
Axelman, Johan

Publication type:

Article

Prediction of Sorption Capacity of Activated Carbons.

Published in:

Russian Journal of General Chemistry, 2018, v. 88, n. 13, p. 2928, doi. 10.1134/S1070363218130169

By:

Frumin, G. T.;
Bolotova, N. L.

Publication type:

Article

Synthesis of 9-oxoselenoxanthenium and triarylselenonium hexafluorophosphates.

Published in:

Russian Journal of General Chemistry, 2015, v. 85, n. 5, p. 1093, doi. 10.1134/S1070363215050163

By:

Loskutov, V.;
Balina, S.;
Russkikh, V.;
Shelkovnikov, V.

Publication type:

Article

Complex formation between zinc(II) tetraphenylporphyrinate and alkylamines.

Published in:

Russian Journal of General Chemistry, 2014, v. 84, n. 2, p. 320, doi. 10.1134/S1070363214020303

By:

Andreev, V.;
Sobolev, P.;
Zaitsev, D.;
Tafeenko, V.

Publication type:

Article

Quantitative structure-property relationship: XXVI. Toxicity of aliphatic carboxylic acids.

Published in:

Russian Journal of General Chemistry, 2006, v. 76, n. 1, p. 40, doi. 10.1134/S1070363206010099

By:

Golovanov, I.;
Zhenodarova, S.

Publication type:

Article

Quantitative Structure-Property Relationship: XXIV. Properties of Halo Derivatives of Methane, Silane, and Methylsilanes.

Published in:

Russian Journal of General Chemistry, 2005, v. 75, n. 12, p. 1899, doi. 10.1007/s11176-006-0011-5

By:

Golovanov, I. B.;
Zhenodarova, S. M.

Publication type:

Article

Dependence of the Constant of the Mark‐Houwink Equation under Theta Conditions on the Bulk of Substituents for Hydrocarbon Polymers.

Published in:

Journal of Macromolecular Science: Physics, 2006, v. 45, n. 6, p. 1183, doi. 10.1080/00222340600929717

By:

Schott, Hans

Publication type:

Article

Tuning the Magnetic and Catalytic Properties of Manganese Ferrite through Zn 2+ Doping: Gas Phase Oxidation of Octanol.

Published in:

Catalysts (2073-4344), 2023, v. 13, n. 12, p. 1473, doi. 10.3390/catal13121473

By:

Bibi, Mehnaz;
Sadiq, Muhammad;
Rizk, Moustafa A.;
Alsaiari, Raiedhah A.;
Iqbal, Zaffar;
Ali, Zahid

Publication type:

Article

Selective Production of Aromatics from 2-Octanol on Zinc Ion-Exchanged MFI Zeolite Catalysts.

Published in:

Catalysts (2073-4344), 2015, v. 5, n. 4, p. 2122, doi. 10.3390/catal5042122

By:

Masakazu Iwamoto;
Ryota Takezawa;
Masao Morimoto

Publication type:

Article

Continuous Catalytic Hydrodeoxygenation of Guaiacol over Pt/SiO<sub>2</sub> and Pt/H-MFI-90.

Published in:

Catalysts (2073-4344), 2015, v. 5, n. 3, p. 1152, doi. 10.3390/catal5031152

By:

Hellinger, Melanie;
Baier, Sina;
Mortensen, Peter Mølgaard;
Kleist, Wolfgang;
Jensen, Anker Degn;
Grunwaldt, Jan-Dierk

Publication type:

Article

Enzyme-Catalyzed Transetherification of Alkoxysilanes.

Published in:

Catalysts (2073-4344), 2013, v. 3, n. 1, p. 27, doi. 10.3390/catal3010027

By:

Abbate, Vincenzo;
Brandstadt, Kurt F.;
Taylor, Peter G.;
Bassindale, Alan R.

Publication type:

Article

Self-Coupling of Secondary Alcohols and α-Alkylation of Methyl Ketones with Secondary Alcohols by Pt/CeO Catalyst.

Published in:

Topics in Catalysis, 2014, v. 57, n. 10-13, p. 1042, doi. 10.1007/s11244-014-0268-6

By:

Chaudhari, Chandan;
Siddiki, S.;
Shimizu, Ken-ichi

Publication type:

Article

Recording Evolution Supervised by a Genetic Algorithm for Quantitative Structure-Activity Relationship Optimization.

Published in:

Applied Medical Informatics, 2010, v. 26, n. 1/2, p. 89

By:

Jäntschi, Lorentz;
Bolboaca, Sorana D.;
Sestraş, Radu E.

Publication type:

Article

Recording Evolution Supervised by a Genetic Algorithm for Quantitative Structure-Activity Relationship Optimization.

Published in:

Applied Medical Informatics, 2010, v. 26, n. 2, p. 89

By:

Jäntschi, Lorentz;
Bolboacă, Sorana D.;
Sestraş, Radu E.

Publication type:

Article

Sensitive Determination of Five Priority Haloacetic Acids by Electromembrane Extraction with Capillary Electrophoresis.

Published in:

Chinese Journal of Chemistry, 2015, v. 33, n. 2, p. 235, doi. 10.1002/cjoc.201400633

By:

Zhang, Xiaoli;
Zhang, Haitao;
Liu, Yan;
Guo, Lin;
Ye, Jiannong;
Chu, Qingcui

Publication type:

Article

Small-angle scattering and morphologies of ultra-flexible microemulsions.

Published in:

Journal of Applied Crystallography, 2016, v. 49, n. 6, p. 2063, doi. 10.1107/S1600576716016150

By:

Prevost, Sylvain;
Lopian, Tobias;
Pleines, Maximilian;
Diat, Olivier;
Zemb, Thomas

Publication type:

Article

Octanol-rich and water-rich domains in dynamic equilibrium in the pre-ouzo region of ternary systems containing a hydrotrope.

Published in:

Journal of Applied Crystallography, 2013, v. 46, n. 6, p. 1665, doi. 10.1107/S002188981302606X

By:

Diat, Olivier;
Klossek, Michael L.;
Touraud, Didier;
Deme, Bruno;
Grillo, Isabelle;
Kunz, Werner;
Zemb, Thomas

Publication type:

Article

A new approach for simultaneous calculation of pIC<sub>50</sub> and logP through QSAR/QSPR modeling on anthracycline derivatives: a comparable study.

Published in:

Journal of the Iranian Chemical Society, 2021, v. 18, n. 10, p. 2785, doi. 10.1007/s13738-021-02233-9

By:

Sadeghi, Fereydoun;
Afkhami, Abbas;
Madrakian, Tayyebeh;
Ghavami, Raouf

Publication type:

Article

Molecular Interaction Study of some ortho and para Substituted Anilines with 1-Octanol.

Published in:

E-Journal of Chemistry, 2010, v. 7, n. 1, p. 308, doi. 10.1155/2010/686042

By:

Manjunatha, M. S.;
Sannappa, J.

Publication type:

Article

Distribution Fitting 4. Benford Test on a Sample of Observed Genotypes Number from Running of a Genetic Algorithm.

Published in:

Bulletin of the University of Agricultural Sciences & Veterinary Medicine Cluj-Napoca. Agriculture, 2009, v. 66, n. 1, p. 82

By:

Jäntschi, Lorentz;
Bolboacă, Sorana D.;
Stoenoiu, Carmen E.;
Iancu, Mihaela;
Marta, Monica M.;
Pică, Elena M.;
Ştefu, Monica;
Sestraş, Adriana F.;
Duda, Marcel M.;
Sestraş, Radu E.;
Ţigan, Stefan;
Abrudan, Ioan;
Bălan, Mugur C.

Publication type:

Article

Accumulation of contaminants of emerging concern in food crops-part 2: Plant distribution.

Published in:

Environmental Toxicology & Chemistry, 2015, v. 34, n. 10, p. 2222, doi. 10.1002/etc.3068

By:

Hyland, Katherine C.;
Blaine, Andrea C.;
Higgins, Christopher P.

Publication type:

Article

Somatic and gastrointestinal in vivo biotransformation rates of hydrophobic chemicals in fish.

Published in:

Environmental Toxicology & Chemistry, 2015, v. 34, n. 10, p. 2282, doi. 10.1002/etc.3050

By:

Lo, Justin C.;
Campbell, David A.;
Kennedy, Christopher J.;
Gobas, Frank A.P.C.

Publication type:

Article

The octanol-water partition coefficient: Strengths and limitations.

Published in:

Environmental Toxicology & Chemistry, 2013, v. 32, n. 4, p. 732, doi. 10.1002/etc.2141

By:

Hermens, Joop L.M.;
de Bruijn, Jack H.M.;
Brooke, David N.

Publication type:

Article

Toxic concentrations in fish early life stages peak at a critical moment.

Published in:

Environmental Toxicology & Chemistry, 2012, v. 31, n. 6, p. 1381, doi. 10.1002/etc.1836

By:

Foekema, E.M.;
Fischer, A.;
Parron, M. Lopez;
Kwadijk, C.;
de Vries, P.;
Murk, A.J.

Publication type:

Article

Database of published retention factors for immobilized artificial membrane HPLC and an assessment of the effect of experimental variability.

Published in:

Environmental Toxicology & Chemistry, 2011, v. 30, n. 12, p. 2701, doi. 10.1002/etc.677

By:

Ledbetter, M.R.;
Gutsell, S.;
Hodges, G.;
Madden, J.C.;
O'Connor, S.;
Cronin, M.T.D.

Publication type:

Article

Controlled field evaluation of water flow rate effects on sampling polar organic compounds using polar organic chemical integrative samplers.

Published in:

Environmental Toxicology & Chemistry, 2010, v. 29, n. 11, p. 2461, doi. 10.1002/etc.305

By:

Hongxia Li;
Vermeirssen, Etiënne L. M.;
Helm, Paul A.;
Metcalfe, Chris D.

Publication type:

Article

Relevance of octanol–water distribution measurements to the potential ecological uptake of multi-walled carbon nanotubes.

Published in:

Environmental Toxicology & Chemistry, 2010, v. 29, n. 5, p. 1106, doi. 10.1002/etc.149

By:

Petersen, Elijah J.;
Qingguo Huang;
Weber Jr., Walter J.

Publication type:

Article

TECHNICAL BASIS FOR POLAR AND NONPOLAR NARCOTIC CHEMICALS AND POLYCYCLIC AROMATIC HYDROCARBON CRITERIA. III. A POLYPARAMETER MODEL FOR TARGET LIPID PARTITIONING.

Published in:

Environmental Toxicology & Chemistry, 2009, v. 28, n. 7, p. 1429, doi. 10.1897/08-364.1

By:

Kipka, Undine;
Di Toro, Dominic M.

Publication type:

Article

GLOBAL UNCERTAINTY AND SENSITIVITY ANALYSIS OF A FOOD-WEB BIOACCUMULATION MODEL.

Published in:

Environmental Toxicology & Chemistry, 2009, v. 28, n. 4, p. 718, doi. 10.1897/08-102R.1

By:

CIAVATTA,, STEFANO;
LOVATO, TOMAS;
RATTO, MARCO;
PASTRES, ROBERTO

Publication type:

Article

WATER-COLUMN CONCENTRATIONS AND PARTITIONING OF POLYBROMINATED DIPHENYL ETHERS IN THE NEW YORK/NEW JERSEY HARBOR, USA.

Published in:

Environmental Toxicology & Chemistry, 2008, v. 27, n. 8, p. 1636, doi. 10.1897/07-619.1

By:

Zarnadze, Archil;
Rodenburg, Lisa A.

Publication type:

Article

MODELING POLYCYCLIC AROMATIC HYDROCARBON BIOACCUMULATION AND METABOLISM IN TIME-VARIABLE EARLY LIFE-STAGE EXPOSURES.

Published in:

Environmental Toxicology & Chemistry, 2008, v. 27, n. 7, p. 1515, doi. 10.1897/07-355.1

By:

Mathew, Rooni;
McGrath, Joy A.;
Di Toro, Dominic M.

Publication type:

Article

MEMBRANE-WATER PARTITIONING, MEMBRANE PERMEABILITY, AND BASELINE TOXICITY OF THE PARASITICIDES IVERMECTIN, ALBENDAZOLE, AND MORANTEL.

Published in:

Environmental Toxicology & Chemistry, 2008, v. 27, n. 4, p. 909, doi. 10.1897/07-427.1

By:

Escher, Beate I.;
Berger, Cindy;
Bramaz, Nadine;
Jung-Hwon Kwon;
Richter, Manuela;
Tsinman, Oksana;
Avdeef, Alex

Publication type:

Article

In vitro-in vivo extrapolation of quantitative hepatic biotransformation data for fish. II. Modeled effects on chemical bioaccumulation.

Published in:

Environmental Toxicology & Chemistry, 2007, v. 26, n. 6, p. 1304, doi. 10.1897/06-259R.1

By:

Nichols, John W.;
Fitzsimmons, Patrick N.;
Burkhard, Lawrence P.

Publication type:

Article

Quantum chemistry based quantitative structure-activity relationships for modeling the (sub)acute toxicity of substituted mononitrobenzenes in aquatic systems.

Published in:

Environmental Toxicology & Chemistry, 2006, v. 25, n. 9, p. 2313, doi. 10.1897/05-678R.1

By:

Zvinavashe, Elton;
Murk, Albertinka J.;
Vervoort, Jacques;
Soffers, Ans E.M.F.;
Freidig, Andreas;
Rietjens, Ivonne M.C.M.

Publication type:

Article