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  • 1
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    Helvetica Chimica Acta 66 (1983), S. 2454-2466 
    ISSN: 0018-019X
    Keywords: Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Molecular catalysis of ATP-hydrolysis by a number of protonated macrocyclic polyamines 1-9 has been investigated by 31P-NMR spectroscopy, and marked rate enhancements have been obtained. The largest acceleration is produced by the [24]-N6O2 macrocycle 1, and the process displays the following properties: 1. protonated 1 forms very stable complexes with ATP, as well as with ADP and AMP; 2. it enhances the rate of ATP-hydrolysis by a factor of 103 at pH = 8.5; the rate of hydrolysis is constant over a wide pH-range, from pH = 2.5 to 8.5; 3. 1 is more efficient than acyclic analogues; 4. the products of the reaction are orthophosphate (OP) and ADP, which is subsequently hydrolyzed to OP and AMP at a slower rate; 5. at pH 〉 6.5, a transient species is detected, which is tentatively identified as a phosphoramidate intermediate, resulting from phosphorylation of the macrocycle 1; 6. the reaction presents first-order kinetics and is catalytic. The mechanism of the process is discussed in terms of initial formation of a complex between ATP and protonated 1, followed by an intracomplex reaction which may involve a combination of nucleophilic or acid catalysis with electrostatic catalysis.
    Additional Material: 7 Ill.
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 33 (1987), S. 2057-2066 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: A two-parameter, corresponding-states form for direct correlation function integrals in liquids is applied to many types of systems with one substance being supercritical. This gives a quantitative correlation for volumetric behavior, pure and mixed solvent Henry's constants, and Henry's Law deviations over wide ranges of conditions using only pure-component information and a single binary parameter. Details of the method and results are given for H2, N2, CO, CH4, and other gases in pure and mixed simple, polar, and aqueous solvents and coal oils. Because of its reliable predictive capability, the present approach can serve as a generator of data for parameter estimation by other models such as equations of state.
    Additional Material: 8 Ill.
    Type of Medium: Electronic Resource
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  • 3
    Electronic Resource
    Electronic Resource
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 32 (1986), S. 2087-2090 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: A detailed study has been made of the computing times for several common equations of state used by industry. The cubic equations are approximately equivalent to more complicated equations (e.g., perturbed hard chain and BWRS) for systems with eight or more components. Thus, it is not justified to choose cubic equations over other forms purely on the basis of computational advantage. Further, the study identifies mixing-rule summations as the dominant consumer of computing time.
    Additional Material: 3 Ill.
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  • 4
    Electronic Resource
    Electronic Resource
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 30 (1984), S. 182-186 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Thermodynamic property computations using equations of state first require computation of the density root. Since higher level calculations such as single-stage flash, distillation and data regression are usually performed iteratively, properties are often demanded at conditions where the appropriate density root does not exist. A strategy of returning suitable pseudoproperties under such conditions is proposed. It has been successfully used in ASPEN (Advanced System for Process Engineering), a general process simulator developed at the Massachusetts Institute of Technology.
    Additional Material: 7 Ill.
    Type of Medium: Electronic Resource
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