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  • 1
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 3 (1989), S. 569-577 
    ISSN: 0886-9383
    Keywords: ATP hydrolysis ; Regression analysis ; Model discrimination ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Data of the hydrolysis of adenosine 5′-triphosphate have been re-evaluated using a computer program that numerically integrates the differential rate equations within a routine that optimizes rate coefficients given a suitable model and concentration versus time data.The model is tested by calculation of Hamilton R-values, the Fisher F-statistic, a sensitivity analysis, the standard errors on the rate coefficients and by constructing contour maps of the objective function versus two rate coefficients.An optimization using only phosphate concentration data cannot distinguish between a model in which adenosine 5′-monophosphate is formed predominantly directly with a molecule of pyrophosphate, and one in which it is formed via adenosine 5′-diphosphate. A more accurate set of rate coefficients is calculated from existing data and the relative importance of the two paths determined.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    Library Location Call Number Volume/Issue/Year Availability
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  • 2
    Electronic Resource
    Electronic Resource
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 26 (1988), S. 755-759 
    ISSN: 0749-1581
    Keywords: ESR ; 1,3,2-Dithiazol-2-yl radicals ; 33S-labelled free radicals ; Energy calculations of conformers ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A derivative of the 1,3,2-dithiazol-2-yl radical was labelled with 33S in order to evaluate the p spin densities on the sulphur atoms. This information is required to provide a full description of the SOMO which, in turn, aids the understanding of the structure of the radical dimers. An unexpected result is that the two sulphur atoms are non-equivalent in the solid state. Calculations suggest that this is due to out-of-plane twisting of the substituent groups. Comparison of the ESR parameters of the bis(methoxycarbonyl) derivative with other members of the 1,3,2-dithiazol-2-yl group of radicals (including the parent radical) shows that it is a good model for the whole group.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    Library Location Call Number Volume/Issue/Year Availability
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