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  • Molecular structure parameters  (1)
  • O-alkyl, O-(1-methylthioethylideneamino) phosphoramidates  (1)
  • 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
    A system for predicting the retentions of O-alkyl, n-(1-methylthioethylideneamino) phosphoramidates on RP-HPLC (1999)
    Springer
    Chromatographia 49 (1999), S. 444-448 
    Details
    ISSN: 1612-1112
    Keywords: Column liquid chromatography ; O-alkyl, O-(1-methylthioethylideneamino) phosphoramidates ; Quantitative structure-retention relationship (QSRR) ; Reversed-phase LC
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Summary By using factor analysis, cluster analysis and multiple linear regression methods, two parameters, FHF and ECCR, were selected from eight solute-related structure parameters as showing the best correlation with retention data. The relationship between the retention data (k) and these two structure parameters were established for ten O-alkyl, O-(1-methylthioethylideneamino) phosphoramidate compounds under the experimental conditions studied. Retention data (k) for six other compounds that have a high correlation with structure parameters were predicted using these QSRR equations. The system was evaluated by comparing the experimentalk values with the predicted ones. Good agreement was obtained between the experimental and predictedk values.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF02467621
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    Paper (German National Licenses)
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