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  • 1
    Electronic Resource
    Electronic Resource
    Strengths of A-A single bonds in symmetric A2B2n molecules and ions (1978)
    s.l. : American Chemical Society
    Journal of the American Chemical Society 100 (1978), S. 1996-2003 
    Details
    ISSN: 1520-5126
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1021/ja00475a004
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  • 2
    Electronic Resource
    Electronic Resource
    Use of Sensitivity Analysis to Assess Reliability of Metabolic and Physiological Models (2002)
    Malden, USA : Blackwell Publishing, Inc.
    Risk analysis 22 (2002), S. 0 
    Details
    ISSN: 1539-6924
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Energy, Environment Protection, Nuclear Power Engineering
    Notes: Because ethical considerations often preclude directly determining the human health effects of treatments or interventions by experimentation, such effects are estimated by extrapolating reactions predicted from animal experiments. Under such conditions, it must be demonstrated that the reliability of the extrapolated predictions is not excessively affected by inherent data limitations and other components of model specification. This is especially true of high-level models composed of ad hoc algebraic equations whose parameters do not correspond to specific physical properties or processes. Models based on independent experimental data restricting the numerical space of parameters that do represent actual physical properties can be represented at a more detailed level. Sensitivities of the computed trajectories to parameter variations permit more detailed attribution of uncertainties in the predictions to these low-level properties. S-systems, in which parameters are estimated empirically, and physiological models, whose parameters can be estimated accurately from independent data, are used to illustrate the applicability of trajectory sensitivity analysis to lower-level models.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/0272-4332.00042
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  • 3
    Electronic Resource
    Electronic Resource
    Effects of the Mechanism of Receptor-Mediated Gene Expression on the Shape of the Dose-Response Curve (1993)
    Oxford, UK : Blackwell Publishing Ltd
    Risk analysis 13 (1993), S. 0 
    Details
    ISSN: 1539-6924
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Energy, Environment Protection, Nuclear Power Engineering
    Notes: A mathematical model of receptor-mediated gene expression that includes receptor binding of natural and xenobiotic ligands, protein synthesis and degradation, and metabolism of the xenobiotic ligand was created to identify the determinants of the shape of the dose-response profile. Values of the model's parameters were varied to reflect alternative mechanisms of expression of the protein. These assumptions had dramatic effects on the computed response to a bolus dose of the xenobiotic ligand. If all processes in the model exhibit hyperbolic kinetics, the dose-response curves can appear sigmoidal but actually be linear with a positive slope at low doses. The slope of the curve only approached zero at low dose, indicative of a threshold for response, if binding of the xenobiotic ligand to the receptor exhibited positive cooperativity (ligand binding at one site increases the affinity for ligand at another binding site on the receptor). Positive cooperativity in the rate-limiting step of protein synthesis produced dose-response curves which were “U-shaped” at low doses, also indicative of a threshold. Positive cooperativity in the metabolism of the xenobiotic ligand produced dose-response curves that increased more rapidly than linearly with increasing dose. The model illustrates the fact that response cannot be predicted from qualitative mechanistic arguments alone; any assessment of risk to health from xenobiotic chemicals must be based on a detailed quantitative examination of the kinetic behavior of each chemical species individually.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.1539-6924.1993.tb00016.x
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  • 4
    Electronic Resource
    Electronic Resource
    Strategies for computer modeling (1986)
    Springer
    Bulletin of mathematical biology 48 (1986), S. 417-426 
    Details
    ISSN: 1522-9602
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Mathematics
    Notes: Abstract Modeling is a ubiquitous and often misunderstood enterprise in which data from diverse disciplines are analyzed by techniques from other diverse disciplines in an attempt to confirm or falsify a set of hypotheses about the real world. Guidelines are offered for designing models to match the goals of modeling biological systems. Techniques for the construction and interpretation of models are discussed. The requirements for credibility of models are detailed, and tests are suggested for their validation.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF02459690
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  • 5
    Electronic Resource
    Electronic Resource
    Computer simulation of metabolism in palmitate-perfused rat heart. I. Palmitate oxidation (1983)
    Springer
    Annals of biomedical engineering 11 (1983), S. 361-384 
    Details
    ISSN: 1573-9686
    Keywords: Enzymes ; Simulation ; Fatty acid metabolism ; Metabolic regulation
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine , Technology
    Notes: Abstract A computer model of the fatty acid oxidation pathway in perfused rat heart was constructed. It includes uptake, activation, and β-oxidation of fatty acids, triglyceride synthesis and hydrolysis, and carnitine-dependent transport of acyl groups across the mitochondrial membrane under pseudosteady state conditions. Fatty acid utilization may be limited by β-oxidation in hypoxia or ischemia but probably not in aerobic conditions. Nonesterified fatty acids bound to proteins are found to be metabolically available. The model predicts that stearate, but not palmitate, can support the highest observed respiration rate for perfused rat heart without supplementation by other substrates. Fatty acids are preferentially oxidized rather than being stored as triglycerides because the cystosolic acyl CoA level is lower than the Km for triglyceride synthesis. It is suggested that feedback inhibition of triglyceride lipase regulates utilization of triglycerides as fuel in aerobic hearts.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00000001
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  • 6
    Electronic Resource
    Electronic Resource
    Computer simulation of metabolism in palmitate-perfused rat heart. II. Behavior of complete model (1983)
    Springer
    Annals of biomedical engineering 11 (1983), S. 511-531 
    Details
    ISSN: 1573-9686
    Keywords: Enzymes ; Simulation ; Fatty acid metabolism ; Glycolysis ; Citric acid cycle ; Metabolic regulation
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine , Technology
    Notes: Abstract Intermediary metabolism in rat hearts persfused with 11 mM glucose plus 1 mM palmitate was simulated by a computer model. Several enzyme submodels in a previous version of the isolated rat heart computer model wre improved, and a new fatty acid oxidation pathway model was added. Compartmentation of metabolites in a pseudostationary state was calculated, and its implications are discussed, e.g., citrate level may not regulate glycolysis because it is mostly mitochondrial. Citrate synthetase, controlled largely by its inhibitors, is of key importance in regulating fatty acid metabolism. The response of aconitase to the mitochondrial Mg2+ levels is of major importance in setting both the mitochondrial citrate and isocitrate levels. Pyruvate dehydrogenase is about 96% in the inactive phosphorylated form, and the active form is also 15% inhibited by products, severely limiting pyruvate oxidation and causing preferential utilization of palmitate as the metabolic fuel. The simulation is consistent with a creatine phosphate shuttle which delivers high energy phosphate to the site of its utilization for mechanical work.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF02364082
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  • 7
    Electronic Resource
    Electronic Resource
    Computer simulation of metabolism in palmitate-perfused rat heart. III. Sensitivity analysis (1983)
    Springer
    Annals of biomedical engineering 11 (1983), S. 533-549 
    Details
    ISSN: 1573-9686
    Keywords: Sensitivity analysis ; Metabolic regulation ; Fatty acid utilization ; Glucose utilization
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine , Technology
    Notes: Abstract The behavior of a computer model of metabolism in glucose- and palmitate-perfused rat hearts was interpreted by sensitivity analysis to explain why the heart preferentially utilizes fatty acids as fuel even in the presence of substantial exogenous glucose. The sensitivity functions identified those metabolites and enzymes which were most important in regulating the metabolic rate and determined which enzymes set the levels of the critical metabolites. Control of the mitochondrial redox potential and the distribution of coenzyme A thioesters regulated the rate of fatty acid utilization while strong inhibition of citrate synthetase resulted in accumulation of acetyl CoA and supprersion of pyruvate oxidation. Glycolysis was limited by the cytosolic ATP/ADP ratio set largely by the creatine shuttle. Metabolic control appears to be widely distributed rather than localized at “key” enzymes. Metabolite levels are usually set by enzymes controlled by modifiers whereas metabolic flux is regulated by the enzymes that produce ligands for the modifier-controlled enzymes.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF02364083
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  • 8
    Electronic Resource
    Electronic Resource
    SCoP: An interactive simulation control program for micro- and minicomputers (1986)
    Springer
    Bulletin of mathematical biology 48 (1986), S. 427-441 
    Details
    ISSN: 1522-9602
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Mathematics
    Notes: Abstract A nes software system is described for building simulation programs on micro- and minicomputers. Model equations are written as C subroutines, compiled and linked to the SCoP package to produce a menu-driven, interactive program. The system maintains a database of names, values, and units for all model parameters and variables. Run-time options include several methods for interactive parameter modification and both graphic and tabular outputs, with output values presented as they are calculated. Simulation output values can be compared with experimental data graphically and a companion program SCoPFit is provided for formal optimization of parameter values.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF02459691
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  • 9
    Electronic Resource
    Electronic Resource
    Guest editors’ foreword (1986)
    Springer
    Bulletin of mathematical biology 48 (1986), S. 239-240 
    Details
    ISSN: 1522-9602
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Mathematics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF02459679
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  • 10
    Electronic Resource
    Electronic Resource
    Criteria for the onset of drag reduction (1974)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 20 (1974), S. 185-188 
    Details
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Additional Material: 7 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/aic.690200131
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