Relation between the chemical structures of chlorophenols and their dissociation constants and partition coefficients in several solvent-water systems

In the series of cephalosporin derivatives, consisting of eight 7-(R1-CH2-CO-NH)cephalosporanic acids and of seven analogical compounds with 3-acetoxymethyl replaced by 3-CH3, physicochemical properties, which are expected to play a role in their antibacterial effects (the transport rate parameters and partition coefficients in the systems 1-octanol-water and 1-octanol-buffer, dissociation constants of the 4-carboxyl group, reactivity towards L-glutathione imitating the nucleophilic groups of the cell components and hydrolysis rate parameters), were determined. Linear dependences were observed between the partition coefficients and the π-constants of the varying substituents as well as between reactivity towards SH-groups of L-glutathione and OH-groups. The relationship between the transport rate parameters and partition coefficients, both measured in buffered as well as non-buffered system, was described by a common non-linear equation.

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Solvent versus Non-solvent Water in Starch–Alcohol–Water Systems

Water Relations of Foods ◽

10.1016/b978-0-12-223150-6.50015-8 ◽

1975 ◽

pp. 173-182 ◽

Cited By ~ 1

Author(s):

F. DUPRAT ◽

A. GUILBOT

Keyword(s):

Water Systems ◽

Solvent Water ◽

Alcohol Water

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On the quantitative relations between structure and antiaggregation activity of ω-aryl-ω-oxoalkanoic acids

Collection of Czechoslovak Chemical Communications ◽

10.1135/cccc19862617 ◽

1986 ◽

Vol 51 (11) ◽

pp. 2617-2625 ◽

Cited By ~ 6

Author(s):

Miroslav Kuchař ◽

Bohumila Brunová ◽

Jaroslava Grimová ◽

Václav Rejholec ◽

Václav Čepelák

Keyword(s):

Partition Coefficients ◽

Dissociation Constants ◽

Inhibitory Effect ◽

Partition Chromatography ◽

Linear Quadratic ◽

Marked Influence ◽

Methyl Group ◽

Retention Characteristics ◽

Anti Inflammatory

A series of ω-aryl-ω-oxoalkanoic acids, I-IV, has been prepared and investigated for dissociation constants in 80% methylcellosolve, retention characteristics in thin-layer partition chromatography and partition coefficients P in the system octanol-water. Also evaluated were their anti-inflammatory efficacy and inhibitory effect on the platelet aggregation induced by collagen. Analysing the relations between structure and antiaggregation effect, we obtained a non-linear, quadratic dependence of this effect on lipophilicity, the optimum being at log P = 3. The antiaggregation effect increased with shortening the chain between the carbonyl and the carboxyl, and with increasing acidity. It was also diminished by the presence of a methyl group on the interlinking chain. To assess the role of lipophilicity we used the RM values of partition chromatography. The relation between anti-inflammatory efficacy and structure was assessed only qualitatively. In this aspect, too, the nature of the chain between the carbonyl and carboxyl proved to have a marked influence. The anti-inflammatory activity proved considerably enhanced by the presence of another aromatic ring in ω-oxoalkanoic acids derived from biphenyl.

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110th Anniversary: Distribution Coefficients of Furfural and 5-Hydroxymethylfurfural in Hydrophobic Deep Eutectic Solvent + Water Systems: Experiments and Perturbed-Chain Statistical Associating Fluid Theory Predictions

Industrial & Engineering Chemistry Research ◽

10.1021/acs.iecr.8b06234 ◽

2019 ◽

Vol 58 (10) ◽

pp. 4240-4247 ◽

Cited By ~ 22

Author(s):

Carin H. J. T. Dietz ◽

Fausto Gallucci ◽

Martin van Sint Annaland ◽

Christoph Held ◽

Maaike C. Kroon

Keyword(s):

Deep Eutectic Solvent ◽

Water Systems ◽

Distribution Coefficients ◽

Statistical Associating Fluid Theory ◽

Solvent Water ◽

Fluid Theory

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Research the Equilibrium Distribution of Puerarin in Aqueous Two-Phase Combine with Temperature-Induced Phase Separation EOPO/ K2HPO4 /Water Systems

Applied Mechanics and Materials ◽

10.4028/www.scientific.net/amm.138-139.1162 ◽

2011 ◽

Vol 138-139 ◽

pp. 1162-1167

Author(s):

Xue Mei Gu ◽

Qing Huo ◽

Qiang Lin

Keyword(s):

Partition Coefficients ◽

Equilibrium Distribution ◽

Random Copolymer ◽

Water Systems ◽

Optimum Conditions ◽

Two Phase ◽

Modified Model ◽

Aqueous Two Phase Systems ◽

Phase Systems ◽

Partition Behavior

The partition behavior of Puerarin in ethylene oxide-propylene oxide random copolymer (EOPO)/ K2HPO4/water systems was investigated .The optimum conditions were EOPO （SDP30） 28%, K2HPO424%, temperature-induced condition was 70°C and 30min. yield of Puerarin could reach 42.26%. Based on the modified model lnK/R2=A*+b*(w”-w’)+c*(w”-w’)2, partition coefficients of Puerarin in EOPO/K2HPO4aqueous two-phase systems were correlated. It was found that the correlation of the experimental data was quite satisfactory.

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