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Applications of Polyparameter Linear Free Energy Relationships in Environmental Chemistry

Environmental Science & Technology, 2014
Partitioning behavior of organic chemicals has tremendous influences on their environmental distribution, reaction rates, bioaccumulation, and toxic effects. Polyparameter linear free energy relationships (PP-LFERs) have been proven to be useful to characterize the equilibrium partitioning of organic chemicals in various environmental and technical ...
Satoshi, Endo, Kai-Uwe, Goss
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Linear Free Energy Relationships in Enzymology

1972
The primary objective of the application of the various linear free energy relationships in enzymology, as is often the case in non-enzymic studies of this type, is the elucidation of reaction mechanism. Thus, it is expected that systematic perturbations in the structure of the substrate for a particular enzyme will affect the catalysed reaction in ...
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A linear free energy relationship for an equilibrium isotope effect

The Journal of Physical Chemistry, 1991
The solution electron affinities of a series of monosubstituted phenyl-d 5 benzenes relative to their perprotiated analogues were measured via electron paramagnetic resonance studies. The equilibrium constant for the electron transfer X-C 6 H 5 .− +X-C 6 D 5 ⇔X-C 6 H 5 +X-C 6 D 5 .− , where X=H, C 6 D 5 , CN, NO 2 , OCH 3 , tert-butyl, was found to ...
Cheryl D. Stevenson, Glenn C. Wehrmann, Richard C. Reiter   +2 more
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Phthalate ester hydrolysis: Linear free energy relationships

Chemosphere, 1980
Abstract Alkaline hydrolysis rate constants were measured for dimethyl, diethyl, di- n -butyl, di- iso -butyl, and di-(2-ethylhexyl) phthalate esters in water. A linear free energy relationship (LFER) was established for estimating alkaline hydrolysis rate constants for other phthalate esters.
N.L. Wolfe, W.C. Steen, L.A. Burns
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A linear free energy relationship for inhibitor binding to carboxypeptidase A

Journal of the Chemical Society, Chemical Communications, 1972
The binding of carboxylate anion competitive inhibitors of esterase activity to carboxypeptidase A correlates with Hansch's π-parameter.
John W. Bunting, Chester D. Myers
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Measures of goodness of fit in linear free energy relationships

Journal of Chemical Education, 1976
To test the validity of LFER's the goodness of fit of the experimental points (Xi, Yi) to the least squares line must be determined. One purpose of this note is to show that the correlation coefficient although widely used as a measure of GOF does not accurately reflect the deviations of points from the line.
William H. Davis, William A. Pryor
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ChemInform Abstract: Linear Free Energy Relationships for Excimers.

ChemInform, 1987
AbstractA linear free energy relationship, correlating ΔH and ΔS for intramolecular excimer formation, is reported.
K. A. ZACHARIASSE, G. DUVENECK
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Linear Free Energy Relationships in Inorganic Chemistry

1972
The renaissance of Inorganic Chemistry in the 1950’s brought with it a quantitative approach to reactions which had been enjoyed by Organic Chemistry for some thirty years. Concepts of reaction mechanism were expressed in the terminology used by organic chemists, and linear free energy relationships were employed as a tool to explore reaction ...
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Linear free energy relationships for excimers

Journal of the American Chemical Society, 1987
Zachariasse, K., Duveneck, G.
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5 Linear Free Energy Relationships and Biological Action

1974
Publisher Summary This chapter aims to show how physical properties may be correlated with biological action and to define and explain the free energy parameters that are used. The parameters described, have been used in assessing correlations between physicochemical properties and biological activity.
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