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Empirical Parameters (empirical + parameter)
Selected AbstractsPrediction of metabolic function from limited data: Lumped hybrid cybernetic modeling (L-HCM)BIOTECHNOLOGY & BIOENGINEERING, Issue 2 2010Hyun-Seob Song Abstract Motivated by the need for a quick quantitative assessment of metabolic function without extensive data, we present an adaptation of the cybernetic framework, denoted as the lumped hybrid cybernetic model (L-HCM), which combines the attributes of the classical lumped cybernetic model (LCM) and the recently developed HCM. The basic tenet of L-HCM and HCM is the same, that is, they both view the uptake flux as being split among diverse pathways in an optimal way as a result of cellular regulation such that some chosen metabolic objective is realized. The L-HCM, however, portrays this flux distribution to occur in a hierarchical way, that is, first among lumped pathways, and next among individual elementary modes (EM) in each lumped pathway. Both splits are described by the cybernetic control laws using operational and structural return-on-investments, respectively. That is, the distribution of uptake flux at the first split is dynamically regulated according to environmental conditions, while the subsequent split is based purely on the stoichiometry of EMs. The resulting model is conveniently represented in terms of lumped pathways which are fully identified with respect to yield coefficients of all products unlike classical LCMs based on instinctive lumping. These characteristics enable the model to account for the complete set of EMs for arbitrarily large metabolic networks despite containing only a small number of parameters which can be identified using minimal data. However, the inherent conflict of questing for quantification of larger networks with smaller number of parameters cannot be resolved without a mechanism for parameter tuning of an empirical nature. In this work, this is accomplished by manipulating the relative importance of EMs by tuning the cybernetic control of mode-averaged enzyme activity with an empirical parameter. In a case study involving aerobic batch growth of Saccharomyces cerevisiae, L-HCM is compared with LCM. The former provides a much more satisfactory prediction than the latter when parameters are identified from a few primary metabolites. On the other hand, the classical model is more accurate than L-HCM when sufficient datasets are involved in parameter identification. In applying the two models to a chemostat scenario, L-HCM shows a reasonable prediction on metabolic shift from respiration to fermentation due to the Crabtree effect, which LCM predicts unsatisfactorily. While L-HCM appears amenable to expeditious estimates of metabolic function with minimal data, the more detailed dynamic models [such as HCM or those of Young et al. (Young et al., Biotechnol Bioeng, 2008; 100: 542,559)] are best suited for accurate treatment of metabolism when the potential of modern omic technology is fully realized. However, in view of the monumental effort surrounding the development of detailed models from extensive omic measurements, the preliminary insight into the behavior of a genotype and metabolic engineering directives that can come from L-HCM is indeed valuable. Biotechnol. Bioeng. 2010;106: 271,284. © 2010 Wiley Periodicals, Inc. [source] Synergistic cellulose hydrolysis can be described in terms of fractal-like kineticsBIOTECHNOLOGY & BIOENGINEERING, Issue 2 2003Priit Väljamäe Abstract A fractal-like kinetics model was used to describe the synergistic hydrolysis of bacterial cellulose by Trichoderma reesei cellulases. The synergistic action of intact cellobiohydrolase Cel7A and endoglucanase Cel5A at low enzyme-to-substrate ratios showed an apparent substrate inhibition consistent with a case where two-dimensional (2-D) surface diffusion of the cellobiohydrolase is rate-limiting. The action of Cel7A core and Cel5A was instead consistent with a three-dimensional (3-D) diffusion-based mode of action. The synergistic action of intact Cel7A was far superior to that of the core at a high enzyme-to-substrate ratio, but this effect was gradually reduced at lower enzyme-to-substrate ratios. The apparent fractal kinetics exponent h obtained by nonlinear fit of hydrolysis data to the fractal-like kinetics analogue of a first-order reaction was a useful empirical parameter for assessing the rate retardation and its dependence on the reaction conditions. © 2003 Wiley Periodicals, Inc. Biotechnol Bioeng 84: 254,257, 2003. [source] UNITED STATES V. BOOKER AS A NATURAL EXPERIMENT: USING EMPIRICAL RESEARCH TO INFORM THE FEDERAL SENTENCING POLICY DEBATE,CRIMINOLOGY AND PUBLIC POLICY, Issue 3 2007PAUL J. HOFER Research Summary: In United States v. Booker, the U.S. Supreme Court held that the federal sentencing guidelines must be considered advisory, rather than mandatory, if they are to remain constitutional under the Sixth Amendment. Since the decision, the U.S. Sentencing Commission has provided policy makers with accurate and current data on changes and continuity in federal sentencing practices. Unlike previous changes in legal doctrine, Booker immediately increased the rates of upward and downward departures from the guideline range. Government-sponsored downward departures remain the leading category of outside,the-range sentences. The rate of within-range sentences, although lower than in the period immediately preceding Booker, remains near rates observed earlier in the guidelines era. Despite the increase in departures, average sentence lengths for the overall caseload remain stable, because of offsetting increases in the seriousness of the crimes being sentenced and in the severity of penalties for those crimes. Analyses of the reasons that judges reported for downward departures suggest that treatment of criminal history and offender characteristics are the two leading areas of dissatisfaction with the guidelines. Policy Implications: Assessment of changes in sentencing practices following Booker by different observers depends partly on competing institutional perspectives and on different degrees of trust in the judgment of judges, prosecutors, the Sentencing Commission, and Congress. No agreement on whether Booker has bettered or worsened the system can be achieved until agreement exists on priorities among the purposes of sentencing and the goals of sentencing reform. Both this lack of agreement and an absence of needed data make consensus on Booker's effects on important sentencing goals, such as reduction of unwarranted disparity, unlikely in the near future. Similarly, lack of baseline data before Booker on the effectiveness of federal sentencing at crime control makes before-after comparisons impossible. Despite these limitations, research provides a sounder framework for policy making than do anecdotes or speculation and sets valuable empirical parameters for the federal sentencing policy debate. [source] Surrogate model-based strategy for cryogenic cavitation model validation and sensitivity evaluationINTERNATIONAL JOURNAL FOR NUMERICAL METHODS IN FLUIDS, Issue 9 2008Tushar Goel Abstract The study of cavitation dynamics in cryogenic environment has critical implications for the performance and safety of liquid rocket engines, but there is no established method to estimate cavitation-induced loads. To help develop such a computational capability, we employ a multiple-surrogate model-based approach to aid in the model validation and calibration process of a transport-based, homogeneous cryogenic cavitation model. We assess the role of empirical parameters in the cavitation model and uncertainties in material properties via global sensitivity analysis coupled with multiple surrogates including polynomial response surface, radial basis neural network, kriging, and a predicted residual sum of squares-based weighted average surrogate model. The global sensitivity analysis results indicate that the performance of cavitation model is more sensitive to the changes in model parameters than to uncertainties in material properties. Although the impact of uncertainty in temperature-dependent vapor pressure on the predictions seems significant, uncertainty in latent heat influences only temperature field. The influence of wall heat transfer on pressure load is insignificant. We find that slower onset of vapor condensation leads to deviation of the predictions from the experiments. The recalibrated model parameters rectify the importance of evaporation source terms, resulting in significant improvements in pressure predictions. The model parameters need to be adjusted for different fluids, but for a given fluid, they help capture the essential fluid physics with different geometry and operating conditions. Copyright © 2008 John Wiley & Sons, Ltd. [source] An empirical approach to study the occurrence of ion exchange in the ionic micellar-mediated semi-ionic reactions: Kinetics of the rate of reaction of piperidine with ionized phenyl salicylate in the presence of cationic micellesINTERNATIONAL JOURNAL OF CHEMICAL KINETICS, Issue 5 2001M. Niyaz Khan Pseudo-first-order rate constants (kobs),obtained for the cleavage of ionized phenyl salicylate (PS,) at constant [NaOH], [MeCN], [CTAZ]T (total concentration of cetyltrimethylammonium chloride and bromide), [Pip]T (total concentration of piperidine), and varying concentrations of sodium cinnamate, acetate, and butanoate ([NaX]),follow the relationship: kobs = (k0 + , K[NaX])/(1 + K[NaX]), where , and K are empirical parameters. The values of , are almost independent of [CTAZ]T, while K values decrease with the increase in [CTAZ]T within its range 0.006,0.020 M. The values of , and K are explained in terms of pseudophase model of micelle coupled with an empirical relationship: KS = KS0/(1 + ,X/S [NaX]), where KS is the CTAZ micellar binding constant of PS, in the presence of NaX. © 2001 John Wiley & Sons, Inc. Int J Chem Kinet 33: 288,294, 2001 [source] Effects of non-ionic and mixed non-ionic,cationic micelles on the rate of aqueous cleavages of phenyl benzoate and phenyl salicylate in alkaline mediumJOURNAL OF PHYSICAL ORGANIC CHEMISTRY, Issue 5 2004M. Niyaz Khan Abstract Pseudo-first-order rate constants (kobs) for the hydrolysis of phenyl salicylate (PSH) and phenyl benzoate (PB) in the alkaline medium show a monotonic decrease with the increase in [C16E20]T (total concentration of Brij 58) at constant [CH3CN] and [NaOH]. This micellar effect is explained in terms of the pseudophase model of micelles. These results show a characteristic difference between the effects of [C16E20]T and previously published effects of [C12E23]T (total concentration of Brij 35) on the rates of aqueous cleavage of PSH and PB at [CnEm]T/[NaOH],,3. The values of kobs, obtained at different [C16E20]T in the presence of a constant amount of CTABr, follow the empirical relationship kobs=(k0+,K[C16E20]T)/(1+K[C16E20]T), where , and K are empirical parameters. The values of , are not affected whereas the values of K decrease with increase in [CTABr]T in a mixed C16E20,CTABr micellar system. The values of , at different [CTABr]T show that ,>k0 for hydrolysis of PSH and , Effects of non-ionic and mixed cationic,non-ionic micelles on the rate of alkaline hydrolysis of phthalimideJOURNAL OF PHYSICAL ORGANIC CHEMISTRY, Issue 7 2002M. Niyaz Khan Abstract Pseudo-first-order rate constants (kobs) for the alkaline hydrolysis of phthalimide (PTH) show a monotonic decrease with the increase in [C16E20]T (total concentration of Brij 58) at constant [CH3CN] and [NaOH]. This micellar effect is explained in terms of the pseudophase model of micelles. The rate of hydrolysis of PTH in C16E20 micellar pseudophase appears to be negligible compared with that in the aqueous pseudophase. The values of kobs for C12E23 (Brij 35) show a sharp decrease at very low values of [C12E23]T followed by a very slow decrease with increase in [C12E23]T at relatively higher values of the latter. The rate of hydrolysis becomes too slow to monitor at [C12E23]T ,0.04,M in the absence of cetyltrimethylammonium bromide (CTABr) and at [C12E23]T ,0.05,M in the presence of 0.006,0.02,M CTABr at 0.02,M NaOH whereas such characteristic behavior is kinetically absent with C16E20. The values of kobs, obtained at different [NIS]T (where NIS represents C16E20 and C12E23) in the presence of a constant amount of CTABr, follow the empirical relationship kobs,=,(k0,+,kK[NIS]T)/(1,+,K[NIS]T) where k and K are empirical parameters. The values of k are only slightly affected whereas the values of K decrease with increase in [CTABr]T for the mixed C16E20,CTABr micellar system. The rate of hydrolysis of PTH at ,0.01,M C12E23 and ,0.01,M CTABr reveals the formation of phthalic anhydride whereas this was not observed in the mixed C16E20,CTABr micellar system under similar experimental conditions. Copyright © 2002 John Wiley & Sons, Ltd. [source] OVERCOMING THE NATION'S BEST LANDSCAPED SEWER: RECREATORS' PERCEPTIONS OF THE CONNECTICUT RIVER,JOURNAL OF THE AMERICAN WATER RESOURCES ASSOCIATION, Issue 1 2003Jo Beth Mullens ABSTRACT: Once referred to as America's "best landscaped sewer," the Connecticut has undergone a dramatic transformation in the last three decades. During this time, a number of public agencies and private organizations have worked diligently to implement policies and measures aimed at improving the river's quality. Ample data collected over the years indicate that the actual water quality conditions of the Connecticut River, as measured by empirical parameters, have improved. However, prior to this study, no data existed regarding the public's perceptions of these changes. This paper will address this issue by presenting the results of a multiyear survey designed to assess the public's perceptions regarding the Connecticut's current quality, and its suitability in supporting various recreational activities. The results suggest that the majority of individuals perceive the Connecticut's water quality to be high enough to support a wide range of recreational activities including those involving physical contact with the water. Additionally, this research concludes that the vast majority of individuals who have recreated on the river for 20 years or more do perceive a significant improvement in the river's overall quality. Thus, it appears that policies and actions taken to improve the Connecticut's quality have been successful in the public's eye. [source] Multiscale simulation of polycrystal mechanics of textured ,-Ti alloys using ab initio and crystal-based finite element methodsPHYSICA STATUS SOLIDI (B) BASIC SOLID STATE PHYSICS, Issue 12 2008D. Ma Abstract Crystal-based finite element methods (FEM) are versatile continuum approaches for predicting mechanical properties and deformation-induced crystallographic textures. They can be applied to both, elastic,plastic and elastic problems. The methodology is based on (i) a detailed understanding of the underlying crystal deformation mechanisms and (ii) a number of constitutive material parameters that are often difficult to measure. First principle calculations, that take into account the discrete nature of matter at the atomic scale, are an alternative way to study mechanical properties of single crystals without using empirical parameters. In this study we demonstrate how to combine these two well-established modeling tools, viz., ab initio modeling and crystal mechanical FEM, for an improved approach to design of polycrystalline materials. The combination is based on (i) the determination of basic thermodynamic and elastic parameter trends in metallurgical alloy design using density-functional (DFT) calculations (P. Hohenberg and W. Kohn, Phys. Rev. 136, B864 (1964), W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965) [1, 2], respectively) and (ii) the up-scale transfer of these results into crystal-based finite element simulations which take into account the anisotropic nature of the elastic,plastic deformation of metals. The method is applied to three body-centered cubic (bcc, ,) Ti,Nb alloys for bio-medical applications. The study addresses two technological processes, namely, the prediction of texture evolution during cold rolling (elastic-plastic problem) and elastic bending of textured polycrystals (elastic problem). (© 2008 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim) [source] Semiempirical equations for the viscosity of amphiphilic polymer solutions: A critical examinationPOLYMER ENGINEERING & SCIENCE, Issue 4 2007A. Durand The associative behavior of amphiphilic polysaccharides derived from dextran, a neutral bacterial polysaccharide, is studied in dilute and moderately concentrated aqueous solutions using viscosity measurements. It is shown that the viscosity of the aqueous solutions can be conveniently depicted over a wide concentration range by several semiempirical equations. The Martin equation as well as the Matsuoka-Cowman equation is shown to depict conveniently the experimental results. These two equations involve only viscometric parameters determined in the dilute range (intrinsic viscosity and Huggins constant). The modification of Lyons and Tobolsky is discussed. The Fedors equation is shown to be similar to the Heller equation over a large concentration domain. Their respective empirical parameters are correlated and can be calculated from the Huggins coefficient. POLYM. ENG. SCI., 47:481,488, 2007. © 2007 Society of Plastics Engineers. [source]
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