Results 121 to 130 of about 2,687 (148)
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Bioorganic & Medicinal Chemistry, 2005
Cytotoxicity data of anti-HIV 5-phenyl-1-phenylamino-1H-imidazole derivatives were subjected to quantitative structure-activity relationship (QSAR) study using linear free energy related (LFER) model of Hansch using electronic (Hammett sigma), hydrophobicity (pi) and steric (molar refractivity and STERIMOL L, B1, B2, B3 and B4) parameters of phenyl ...
Kunal, Roy, J Thomas, Leonard
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Cytotoxicity data of anti-HIV 5-phenyl-1-phenylamino-1H-imidazole derivatives were subjected to quantitative structure-activity relationship (QSAR) study using linear free energy related (LFER) model of Hansch using electronic (Hammett sigma), hydrophobicity (pi) and steric (molar refractivity and STERIMOL L, B1, B2, B3 and B4) parameters of phenyl ...
Kunal, Roy, J Thomas, Leonard
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Journal of the Chemical Society, Perkin Transactions 2, 1998
Values of the Ostwald solubility coefficient of gases and vapours in methanol solvent, LMeOH, at 298 K have been determined for 23 solutes by an indirect method in which experimental partition coefficients between methanol and hexadecane were combined with literature data on Ostwald solubility coefficients in hexadecane.
Michael H. Abraham +3 more
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Values of the Ostwald solubility coefficient of gases and vapours in methanol solvent, LMeOH, at 298 K have been determined for 23 solutes by an indirect method in which experimental partition coefficients between methanol and hexadecane were combined with literature data on Ostwald solubility coefficients in hexadecane.
Michael H. Abraham +3 more
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Bioorganic & Medicinal Chemistry, 2009
This paper provides an overview of the Abraham approach to the determination of molecular descriptors for agrochemicals, and their potential in defining bioavailability related property-profiles and processes. The prediction of Abraham descriptors from structure has been demonstrated using agrochemical products and a simple guide to bioavailability ...
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This paper provides an overview of the Abraham approach to the determination of molecular descriptors for agrochemicals, and their potential in defining bioavailability related property-profiles and processes. The prediction of Abraham descriptors from structure has been demonstrated using agrochemical products and a simple guide to bioavailability ...
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Factors that influence tadpole narcosis. An LFER analysis
Journal of the Chemical Society, Perkin Transactions 2, 1995Application of the new solvation equation to the results of Overton on tadpole narcosis yield the correlation given by eqn. (a), where Cnar is the narcotic concentration of solute in mol dm–3 and the log (1/Cnar)= 0.579 + 0.824R2– 0.334π2H– 2.871Σβ2o+ 3.097Vx(a) descriptors are R2 the solute excess molar refraction, π2H the solute dipolarity ...
Michael H. Abraham, Clara Rafols
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Curve crossing analysis of LFER data in Michael addition reactions
Canadian Journal of Chemistry, 1992Rate constants for the Michael addition of CN− in water, aqueous sulfolane, and DMSO, and MeO− in MeOH to eight mono- and disubstituted 1,1-diaryl-2,2-dinitroethylenes were measured. The ρ values are in the range 0.7 (CN−/H2O) –1.6 (MeO−/MeOH). For each of the four systems a correlation was found between log k and the 13C chemical shift of the carbon ...
Zeev Gross, Shmaryahu Hoz
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The Journal of Organic Chemistry, 2008
A merocyanine dye equipped with a Hamilton-receptor unit has been synthesized that enables strong noncovalent binding of other merocyanine dyes bearing barbituric acid acceptor groups by six hydrogen bonds. NMR and UV/vis titration experiments in toluene, chloroform, dichloromethane, dioxane, and THF provide evidence for the formation of 1:1 complexes ...
Johann, Schmidt +2 more
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A merocyanine dye equipped with a Hamilton-receptor unit has been synthesized that enables strong noncovalent binding of other merocyanine dyes bearing barbituric acid acceptor groups by six hydrogen bonds. NMR and UV/vis titration experiments in toluene, chloroform, dichloromethane, dioxane, and THF provide evidence for the formation of 1:1 complexes ...
Johann, Schmidt +2 more
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Environmental Science & Technology, 1999
The partitioning of organic compounds between air and foliage and between water and foliage is of considerable environmental interest. The purpose of this work is to show that partitioning into the cuticular matrix of one particular species can be satisfactorily modeled by general equations we have previously developed and, hence, that the same general
James A. Platts, Michael H. Abraham
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The partitioning of organic compounds between air and foliage and between water and foliage is of considerable environmental interest. The purpose of this work is to show that partitioning into the cuticular matrix of one particular species can be satisfactorily modeled by general equations we have previously developed and, hence, that the same general
James A. Platts, Michael H. Abraham
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The Journal of Chemical Thermodynamics, 2020
Abstract The solubility of carbon dioxide was determined in dimethyl sulfoxide, ethylene glycol, and their binary mixtures at the temperatures ranging from 298.15 Kto 328.15 K and the pressures ranging from (0 to 6) bar (0 to 0.6 MPa). It was shown that the solubility of CO2 increased with the increasing of pressure while decreased with the ...
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Abstract The solubility of carbon dioxide was determined in dimethyl sulfoxide, ethylene glycol, and their binary mixtures at the temperatures ranging from 298.15 Kto 328.15 K and the pressures ranging from (0 to 6) bar (0 to 0.6 MPa). It was shown that the solubility of CO2 increased with the increasing of pressure while decreased with the ...
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Journal of Chemical & Engineering Data, 2013
The linear free energy relationship (LFER) analysis based on the Hammett equation has been applied for dissociation processes of 8-hydroxyquinoline and its derivatives in aqueous and 1,4-dioxane-water solutions. The effects of temperature, composition, and ionic strength of the solutions have been discussed.
Waldemar Robak +4 more
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The linear free energy relationship (LFER) analysis based on the Hammett equation has been applied for dissociation processes of 8-hydroxyquinoline and its derivatives in aqueous and 1,4-dioxane-water solutions. The effects of temperature, composition, and ionic strength of the solutions have been discussed.
Waldemar Robak +4 more
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Journal of Pharmaceutical Sciences, 2006
Literature values of the in vivo distribution (BB) of drugs from blood, plasma, or serum to rat brain have been assembled for 207 compounds (233 data points). We find that data on in vivo distribution from blood, plasma, and serum to rat brain can all be combined.
Michael H, Abraham +3 more
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Literature values of the in vivo distribution (BB) of drugs from blood, plasma, or serum to rat brain have been assembled for 207 compounds (233 data points). We find that data on in vivo distribution from blood, plasma, and serum to rat brain can all be combined.
Michael H, Abraham +3 more
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