Results 121 to 130 of about 512 (161)
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Rationalizing hydrogen bond solvation with Kamlet–Taft LSER and molecular torsion balances
Physical Chemistry Chemical Physics, 2023The Kamlet–Taft solvation model partitioned experimental solvent effects on intramolecular hydrogen bonding into electrostatic and dispersion terms, revealing their relative contributions to the folding preference of a molecular torsion balance.
Bright U. Emenike +3 more
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Predicting dermal permeability of biocides in commercial cutting fluids using a LSER approach
Toxicology Letters, 2007The aim of this study is to predict dermal permeability of four phenolic biocides in four different formulations using a linear solvation energy relationship (LSER) approach, with a calibrated flow through diffusion cell system. Mathematical descriptors were determined in the laboratory, by mathematical computations, and by statistical methods ...
, Vikrant Vijay, Ronald Baynes
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LSER in the allylation of morpholine
Reaction Kinetics and Catalysis Letters, 2009The second order rate constants of allylation of morpholine are obtained conductometrically in different protic and aprotic solvents in the temperature range 303–318K. Correlation of the rate data with different solvent parameters indicates that, the reaction rate is simultaneously influenced by the hydrogen bond donor ability (α), nucelophilicity (B ...
Thangallapally Devender +1 more
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New method to determine LSER parameters
Chromatographia, 2003New method was developed to determining ∑β 2 H andπ 2 H descriptors of the linear solvation energy relationship (LSER) with micelle-water partition coefficient obtained using micellar liquid chromatography (MLC ...
F. Mutelet +2 more
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Tautomerism in some aromatic Schiff bases and related azo compounds: an LSER study
Journal of Physical Organic Chemistry, 2005An LSER study on the tautomerism of some aromatic Schiff bases and related azo compounds has vindicated the picture presented by previous ab initio studies and added further detail of its own. As predicted, the aminoenone tautomer is always the more polar (positive π* term) and, in addition, is specifically favoured by proton donor solvents (α term ...
Liudmil Antonov
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Characterization of Sorption Mechanisms of VOCs with Organobentonites Using a LSER Approach
Environmental Science & Technology, 2003To fully utilize the sorption traits of organobentonites to control volatile organic compounds (VOCs) pollution, the sorption mechanisms of VOCs with organobentonites need to be understood adequately. The sorption of VOCs as vapors to a typical organobentonite, modified with cetyltrimethylammonium bromide (CTMAB-bentonite), was characterized using a ...
Senlin, Tian, Lizhong, Zhu, Yao, Shi
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The characterization of nitrogen-enriched activated carbons by IR, XPS and LSER methods
Carbon, 2002The aim of this work is to study the efficiency of the nitrogen enrichment by urea of lignites and the induced changes of the adsorptive properties towards volatile organic compounds (VOCs) of the activated carbons derived from these modified precursors.
Philippe Burg, Anna Jankowska
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Experimental Determination of LSER Parameters for a Set of 76 Diverse Pesticides and Pharmaceuticals
Environmental Science & Technology, 2008Linear 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.
Tülp HC +3 more
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Characterization of the GEMINI C18™ Column: Lipophilicity Measurement and LSER
Journal of Liquid Chromatography and Related Technologies, 2008Abstract We describe here the use of Gemini C18™ column, a new generation hybrid silica based column, for reversed-phase liquid chromatographic determination of lipophilicity parameters of several structurally different xenobiotics (neutral solutes and ionized drugs). Among the parameters discussed, we show that extrapolated retention factor values log
Deborah Benhaim, Eli Grushka
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