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Linear solvation energy relationships as classifiers in non-target analysis – A gas chromatographic approach

Journal of Chromatography A, 2012
Linear solvation energy relationships (LSERs) are applied as classifiers to predict the logarithmic retention factors logk from the structures of candidate compounds in non-target analysis. By comparison of the predicted value with the experimentally determined logk, progressive exclusion of candidates is done.
Nadin, Ulrich   +4 more
openaire   +2 more sources

Linear Free-Energy Relationships and Solvation Thermodynamics: The Thermodynamic Basis of LFER Linearity

Industrial & Engineering Chemistry Research, 2023
Costas Panayiotou   +2 more
openaire   +1 more source

Application of linear solvation energy relationships to polymeric pseudostationary phases in micellar electrokinetic chromatography

ELECTROPHORESIS, 2001
Polymerized sodium 11-acrylamidoundecanoate (poly(Na 11-AAU)) was used as a pseudostationary phase (PSP) for micellar electrokinetic chromatography to separate uncharged compounds. The polymer PSP showed signifcantly different solute migration behaviors from conventional micelles including sodium dodecyl sulfate and poly (sodium 10-undecylenate ...
openaire   +2 more sources

Linear relationships between the heat, free energy, and entropy of solvation

2018
(1) An efficient method has been devised for the determination of the free energy of solvation referred to the vapour as standard state (RT log p/TT) or to the liquid (RT log p /p °N) as reference standard.
openaire   +1 more source

ChemInform Abstract: Linear Solvation Energy Relationships. Part 32.

Chemischer Informationsdienst, 1986
M. J. KAMLET   +3 more
openaire   +1 more source

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