Correlations between liquid chromatographic capacity ratio data on lichrosorb RP-18 and partition coefficients in the octanol—water system

Hammers, W.E.; Meurs, G.J.; Ligny, C.L. De

doi:10.1016/s0021-9673(00)84852-9

Cited by 165 publications

(21 citation statements)

References 25 publications

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“…The acidity of PFASs enables electronic and hydrogen bond interactions with the silanol groups in the stationary phase to occur [11,17,19,21] (instead of, or complementary to, van der Waals interactions). This non-linear behaviour may be enhanced at high methanol fractions in the mobile phase.…”

Section: Elution Behaviour At High Methanol Fractionsmentioning

confidence: 99%

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Experimental hydrophobicity parameters of perfluorinated alkylated substances from reversed-phase high-performance liquid chromatography

et al. 2012

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Environmental context. Perfluorinated compounds are synthetic chemicals shown to be present in the blood of humans. To study how these contaminants get into our blood requires a good understanding of their physicochemical properties. We describe an alternative way to obtain values for how perfluorinated compounds distribute between water and fatty phases (mimicking e.g. gut content and gut wall), which is essential information for modelling and understanding the environmental fate of these chemicals.Abstract. Capacity factors of perfluorinated alkylated substances were obtained from isocratic reversed-phase highperformance liquid chromatography-mass spectrometry experiments at different organic modifier strengths of the mobile phase. The resulting capacity factor v. modifier strengths plots were extrapolated to obtain capacity factors at 100 % water (k 0 ) that can serve as indicators of the hydrophobicity of the perfluorinated acids. Values of log k 0 were shown to increase linearly with the number of CF 2 units in the fluorinated alkyl chain.

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Section: Elution Behaviour At High Methanol Fractionsmentioning

confidence: 99%

“…Several authors have demonstrated [19][20][21] that for neutral compounds the quadratic term can be neglected if methanol is used as the organic modifier. Hence, the following equation results:…”

Section: Introductionmentioning

confidence: 99%

Experimental hydrophobicity parameters of perfluorinated alkylated substances from reversed-phase high-performance liquid chromatography

et al. 2012

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“…A basic re-quirement is a theoretical model connecting the chromatographic retention parameter to the partition constant. In its most simple form this model may be a monolinear Collander-type regression relationship as used for the determination of the partition coefficient between noctanol and water (Kow) and the HPLC reversed-phase capacity factor (k') for series of compounds [1].…”

Section: Introductionmentioning

confidence: 99%

Derivation of solubility parameters of chlorinated dibenzofurans and dibenzo[p]dioxins from gas chromatographic retention parameters via SOFA

Govers

Wielen

Olie

1995

Journal of Chromatography A

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Derivation of solubility parameters of chlorinated dibenzofurans and dibenzo(p)dioxins from gas chromatographic parameters via SOFA. Govers, H.A.J.; van der Wielen, F.W.M.; Olie, K. Disclaimer/Complaints regulationsIf you believe that digital publication of certain material infringes any of your rights or (privacy) interests, please let the Library know, stating your reasons. In case of a legitimate complaint, the Library will make the material inaccessible and/or remove it from the website. Please Ask the Library: http://uba.uva.nl/en/contact, or a letter to: Library of the University of Amsterdam, Secretariat, Singel 425, 1012 WP Amsterdam, The Netherlands. You will be contacted as soon as possible. AbstractMolar heat of vaporization, molar liquid volume and Scatchard-Hildebrand solubility parameters of chlorinated dibenzofurans (PCDFs) and dibenzo[p]dioxins (PCDDs) were derived from (semi-)empirical values of heat of vaporization, (subcooled) liquid density and gas chromatographic Kovats retention indices. To this end a thermodynamic prediction model (SOFA), recently developed, was extended by an exchange entropy contribution representing molecular orientational disorder. The parameters derived were validated using experimental values of relative retention times on stationary phases of different polarities. Accurate to extremely accurate results were obtained with standard errors of regression close to experimental inaccuracy and high correlation coefficients comparing favourably to existing methods of prediction. The parameters derived performed quite well for apolar to moderately polar stationary phases. For polar phases inaccuracy increased significantly. The method has several advantages compared to other methods used for the prediction of chromatographic retention.

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“…All capacity factors were determined at four compositions of the mobile phase and extrapolated to 100°70 water, yielding k0, following the recommendations by Hammers et al (1982). The HPLC-apparatus used consisted of a Pye Unicam 4010 double piston pump operated at 1 ml/min flow and a Pye Unicam 4020 UVdetector, operated at 254 nm.…”

Section: Determination Of Hplc Capacity Factorsmentioning

confidence: 99%

Quantitative structure-activity relationships for the toxicity and bioconcentration factor of nitrobenzene derivatives towards the guppy (Poecilia reticulata)

et al. 1987

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The acute toxicity and bioconcentration factor of a series of nitrobenzene derivatives was determined for the guppy. Toxicity is found to be determined by both hydrophobicity (expressed by the octanol/water partition coefficient) and rate of reduction of the nitro group (expressed by either electrochemical halfwave reduction potential or Hammett a values). The acute toxicity of mononitro compounds can be adequately described by hydrophobicity, and their bioconcentration factor is found to be approximately equal to the octanol/water partition coefficient. The dinitro compounds that are likely to be most easily reduced are found to have substantially lower bioconcentration factors than expected, accompanied by a marked increase in toxicity. Electrochemical reduction potentials are found to be a better descriptor of toxicity than Hammett a-values. Nitroanilines do not fit the QSARs established for nitrobenzene derivatives. These compounds are probably to be considered aniline derivatives.

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Correlations between liquid chromatographic capacity ratio data on lichrosorb RP-18 and partition coefficients in the octanol—water system

Cited by 165 publications

References 25 publications

Experimental hydrophobicity parameters of perfluorinated alkylated substances from reversed-phase high-performance liquid chromatography

Experimental hydrophobicity parameters of perfluorinated alkylated substances from reversed-phase high-performance liquid chromatography

Derivation of solubility parameters of chlorinated dibenzofurans and dibenzo[p]dioxins from gas chromatographic retention parameters via SOFA

Quantitative structure-activity relationships for the toxicity and bioconcentration factor of nitrobenzene derivatives towards the guppy (Poecilia reticulata)

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