PMID: 18409633Apr 16, 2008Paper

Experimental determination of LSER parameters for a set of 76 diverse pesticides and pharmaceuticals

Environmental Science & Technology
Holger C TülpKathrin Fenner

Abstract

Linear solvation energy relationships (LSERs) have more recently been proposed as the method of choice to describe and/or predict the partitioning behavior of neutral organic compounds over a large range of environmental matrices and for a broad variety of compounds in a consistent manner. However, when dealing with more complex, polar compounds with multiple functional groups, it has also been noted that there is a severe lack of substance descriptors quantifying the different intermolecular interactions that these compounds may undergo. In this study, we used a system of eight reversed phase, normal phase, and hydrophilic interaction HPLC systems to determine the substance descriptors for H-bond donor (A) and acceptor (B) interactions and for polarizability and dipolarity (S) for a set of 76 complex compounds containing multiple functional groups, comprising mainly pesticides and some pharmaceuticals. The obtained substance descriptors for most compounds are unique in that values of A, S, and B are high and lie at the very upper end of the numerical range of currently known substance descriptors. The substance descriptors have been cross-compared against literature values of the octanol-water (Kow) and air-water (Kaw) partiti...Continue Reading

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Citations

Jun 16, 2011·Environmental Science & Technology·Satoshi EndoKai-Uwe Goss
Apr 30, 2013·Environmental Science & Technology·Priya M AbrahamGabriele E Schaumann
Dec 1, 2015·Environmental Science & Technology·Elizabeth L MillerJoel A Pedersen
Feb 25, 2015·Environmental Toxicology and Chemistry·Desiree L PlataPhilip M Gschwend
Jun 6, 2015·Journal of Hazardous Materials·Tengfei FanQingrong Peng
Jul 15, 2015·Journal of Chromatography. a·Renáta KonášováVáclav Kašička
Apr 20, 2010·Environmental Pollution·Sarah E HaleDavid Werner
Jun 18, 2015·Environmental Science. Processes & Impacts·Andrés Ramírez RestrepoFrank Wania
Jan 31, 2012·Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry·Chul-Woong ChoJorg Thöming
Oct 8, 2019·Environmental Science. Processes & Impacts·Huichao SunXiaochen Jin
Aug 22, 2020·Environmental Science. Processes & Impacts·Frank Wania, Chubashini Shunthirasingham
Mar 21, 2018·Environmental Science and Pollution Research International·Parichehr Saranjampour, Kevin Armbrust
May 23, 2014·Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry·Chul-Woong ChoJorg Thöming
Aug 3, 2020·Journal of Chromatography. a·Colin F Poole, Sanka N Atapattu
Sep 4, 2012·Journal of Chromatography. a·Karen S Lavin, Kimberly J Hageman
Aug 24, 2010·Environmental Science & Technology·Erica L DiFilippo, Robert P Eganhouse
Jan 5, 2011·Environmental Science & Technology·Guido Bronner, Kai-Uwe Goss
Jan 5, 2011·Environmental Science & Technology·Guido Bronner, Kai-Uwe Goss
Jun 6, 2014·Environmental Science & Technology·Deedar NabiJ Samuel Arey
Oct 4, 2014·Environmental Science & Technology·Satoshi Endo, Kai-Uwe Goss
Oct 26, 2021·Journal of Agricultural and Food Chemistry·Shengxin GuoJian Wu

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