Physicochemical properties effect

Weber, J.B., R.L. Warren, L.R. Swain, and F.H. Yelverton (2007). Physicochemical property effects of three herbicides and three soils on herbicide mobility in field lysimeters. Crop Protect., 26 (2007) 299-311. 

The fundamental assumption of SAR and QSAR (Structure-Activity Relationships and Quantitative Structure-Activity Relationships) is that the activity of a compound is related to its structural and/or physicochemical properties. In a classic article Corwin Hansch formulated Eq. (15) as a linear frcc-cncrgy related model for the biological activity (e.g.. toxicity) of a group of congeneric chemicals [37, in which the inverse of C, the concentration effect of the toxicant, is related to a hy-drophobidty term, FI, an electronic term, a (the Hammett substituent constant). Stcric terms can be added to this equation (typically Taft s steric parameter, E,). 

Increasing attention has been paid to the generation of quantitative stmcture—activity relationships in which the effects of molecular substitution on pharmacologic activity can be interpreted in terms of the physicochemical properties of the substituents. These approaches are based on the extrathermodynamic analysis of substituent effects (36) ... 

Dietary fiber is a mixture of simple and complex polysaccharides and lignin. In intact plant tissue these components are organized into a complex matrix, which is not completely understood. The physical and chemical interactions that sustain this matrix affect its physicochemical properties and probably its physiological effects. Several of the polysaccharides classified as soluble fiber are soluble only after they have been extracted under fairly rigorous conditions. 

A chemical must have certain physicochemical properties to elicit an endocrine disrupting effect. For example, the ability to enter the body and to cross the cell membrane into the cellular medium requires a degree of lipophilicity. Fipophilic potentials may be compared by reference to the chemical s octanol-water coefficient (usually expressed as log K ). This property, together with molecular size and chemical structure, has an important influence on the bioacciimiilation... 

Composite structures that consist of carbon particles and a polymer or plastic material are useful for bipolar separators or electrode substrates in aqueous batteries. These structures must be impermeable to the electrolyte and electrochemical reactants or products. Furthermore, they must have acceptable electronic conductivity and mechanical properties. The physicochemical properties of carbon blacks, which are commonly used, have a major effect on the desirable properties of the conductive composite structures. Physicochemical properties such as the surface... 

The effects of the intramicellar confinement of polar and amphiphilic species in nanoscopic domains dispersed in an apolar solvent on their physicochemical properties (electronic structure, density, dielectric constant, phase diagram, reactivity, etc.) have received considerable attention [51,52]. hi particular, the properties of water confined in reversed micelles have been widely investigated, since it simulates water hydrating enzymes or encapsulated in biological environments [13,23,53-59]. 

In 1868 two Scottish scientists, Crum Brown and Fraser [4] recognized that a relation exists between the physiological action of a substance and its chemical composition and constitution. That recognition was in effect the birth of the science that has come to be known as quantitative structure-activity relationship (QSAR) studies a QSAR is a mathematical equation that relates a biological or other property to structural and/or physicochemical properties of a series of (usually) related compounds. Shortly afterwards, Richardson [5] showed that the narcotic effect of primary aliphatic alcohols varied with their molecular weight, and in 1893 Richet [6] observed that the toxicities of a variety of simple polar chemicals such as alcohols, ethers, and ketones were inversely correlated with their aqueous solubilities. Probably the best known of the very early work in the field was that of Overton [7] and Meyer [8], who found that the narcotic effect of simple chemicals increased with their oil-water partition coefficient and postulated that this reflected the partitioning of a chemical between the aqueous exobiophase and a lipophilic receptor. This, as it turned out, was most prescient, for about 70% of published QSARs contain a term relating to partition coefficient [9]. 

Rodrfguez-Hernandez, G.R. et al.. Spray-drying of cactus pear juice (Opuntia strep-tacantha) effect on the physicochemical properties of powder and reconstituted product, Drying TechnoL, 23, 955, 2005. 

This chapter considers ionizable drug-Uke molecules and the effect of such ionization on pharmaceutic properties. Most medicinal substances are ionizable [1]. The biological medium into which these substances distribute embraces a range of pH values. The ionization constant, pK, can teU the pharmaceutical scientist to what degree the molecule is charged in solution at a particular pH. This is important to know, since the charge state of the molecule strongly influences its other physicochemical properties. 

Seventy years later, this theory largely holds true, although periodically challenged [67, 68]. Observation of transmembrane permeability of ionic species was initially explained by the formation of neutral ion-pair [69, 70]. A comprehensive review of the physicochemical properties influencing permeation has been written by Malkia et al. [5]. The reality is that, despite many studies, the effect of ionization on permeation is still a matter of discussion and active research. In contrast, it became clear that bulk-phase partitioning measurements are not adequate to describe bilayer partitioning [71-73]. 

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