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  • 1
    Digitale Medien
    Digitale Medien
    Springer
    Perspectives in drug discovery and design 17 (1999), S. 1-25 
    ISSN: 1573-9023
    Schlagwort(e): log P ; octanol ; partition coefficient ; QSAR
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Chemie und Pharmazie
    Notizen: Abstract To extend the successful application of Hammett equations, previously used to predict equilibrium and rates of physico-chemical reactions with electronic and steric parameters, to the realm of biology and biochemistry, a parameter that measures hydrophobicity is required. The partition coefficient of a solute between octanol and water, expressed in log terms to put it on the same free-energy basis as the classic Hammett parameters, has been shown to be widely applicable. It is directly involved in passive transport through membranes, in binding to proteins, and in specific binding at active sites in enzymes. Methods of calculating logP(octanol) that reflect the solvation forces involved, can be useful in elucidating unusual solute conformations that may be preferred in a non-polar environment.
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 2
    Digitale Medien
    Digitale Medien
    New York : Wiley-Blackwell
    Journal of Polymer Science Part A-1: Polymer Chemistry 6 (1968), S. 3295-3302 
    ISSN: 0449-296X
    Schlagwort(e): Physics ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: By using substituent constants and regression analysis, an analysis has been made of the binding of derivatives of aniline and acetanilide to nylon and rayon, the experimental data of Ward and Upchurch being used. The amount of organic compounds bound from an aqueous solution by these two types of synthetic macromolecules is shown to be related to the octanol-water partition coefficients P. In the case of the aniline derivatives, where the basicity of the compounds varied considerably, a good model describing binding results from the linear combination of the two parameters related to free energy, i.e., log P and ΔpKa. The latter term is the difference between pKa for aniline and a particular derivative. For the neutral acetanilides a simple linear free-energy relation between log P and log K is found. Of special note is the fact that the dependence of binding of these two classes of compounds to two classes of synthetic macromolecules as indicated by the coefficient with the log P term very closely parallels that found for a variety of biopolymers. The mechanism of hydrophobic binding seems to be the same in both the synthetic and natural polymers.
    Zusätzliches Material: 1 Tab.
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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