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  • 1
    Electronic Resource
    Electronic Resource
    Prediction of retention of O-ethyl, O-aryl and N-isopropyl phosphoroamidothioates in RP-HPLC from molecular structure parameters (1991)
    Springer
    Chromatographia 31 (1991), S. 143-146 
    Details
    ISSN: 1612-1112
    Keywords: Column liquid chromatography ; Molecular structure parameters ; Prediction of retention ; Phosphoroamidothiotes
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Summary Multi-variable regression analysis between lnkw, c (in retention equation lnk′=lnkw+cCb) and molecular structure parameters, including hydrophobicity, electric effect, field effect and position-specific effect constant, was carried out with O-ethyl, O-aryl and N-isopropyl phosphoroamidothioates as test solutes. With these quantitative relationships, the retention behaviour of these solutes for different mobile phase compositions was predicted. The results showed that there are only 26.7% of total, experimentally measured, capacity factors with relative deviations larger than 5% and only 2.2% with deviations larger than 10%, which means that it is possible to apply the method reported to predict retention values for qualitative purposes for different mobile phase compositions.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF02274562
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  • 2
    Electronic Resource
    Electronic Resource
    Retention Prediction System of O-Aryl,O-(1-methylthioethylidene-amino)phosphates on RP-HPLC (2000)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 23 (2000), S. 445-448 
    Details
    ISSN: 0935-6304
    Keywords: O-Aryl,O-(1-methylthioethylideneamino)phosphates ; retention prediction ; quantitative structure-retention relationship (QSRR) ; reversed-phase HPLC ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: ---Using factor analysis and stepwise linear regression methods, two parameters - CMR and ECCR - were selected from eight solute-related structure parameters as the most retention-influencing parameters. The relationships between the retention data (k ´) and the two structure parameters were established for 13 O-aryl,O-(1-methylthioethylideneamino)phosphate compounds under a wide range of experimental conditions. The retention data (k ´) of another seven compounds with similar structures were predicted using these QSRR equations. Good agreement was obtained between the experimental k ´ values and predicted ones.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
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