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Accurate Treatment (accurate + treatment)
Selected AbstractsShould physicians' dual practice be limited?HEALTH ECONOMICS, Issue 6 2004An incentive approach Abstract We develop a principal-agent model to analyze how the behavior of a physician in the public sector is affected by his activities in the private sector. We show that the physician will have incentives to over-provide medical services when he uses his public activity as a way of increasing his prestige as a private doctor. The health authority only benefits from the physician's dual practice when it is interested in ensuring a very accurate treatment for the patient. Our analysis provides a theoretical framework in which some actual policies implemented to regulate physicians' dual practice can be addressed. In particular, we focus on the possibility that the health authority offers exclusive contracts to physicians and on the implications of limiting physicians' private earnings. Copyright © 2004 John Wiley & Sons, Ltd. [source] Fringe element reconstruction for front tracking for three-dimensional incompressible flow analysisINTERNATIONAL JOURNAL FOR NUMERICAL METHODS IN FLUIDS, Issue 6 2005Du-Soon Choi Abstract Fringe element reconstruction technique for tracking the free surface in three-dimensional incompressible flow analysis was developed. The flow field was calculated by the mixed formulation based on a four-node tetrahedral element with a bubble function at the centroid (P1+/P1). Since an Eulerian approach was employed in this study, the flow front interface was advected by the flow through a fixed mesh. For accurate modelling of interfacial movement, a fringe element reconstruction method developed can provide not only an accurate treatment of material discontinuity but also surface tension across the interface. The effect of surface tension was modelled by imposing tensile stress directly on the constructed surface elements at the flow front interface. To verify the numerical approach developed, the developed algorithm was applied to two examples whose solutions are available in references. Good agreement was obtained between the simulation results and these solutions. Copyright © 2005 John Wiley & Sons, Ltd. [source] Algebraic modifications to second quantization for non-Hermitian complex scaled hamiltonians with application to a quadratically convergent multiconfigurational self-consistent field methodINTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, Issue 6 2005Danny L. Yeager Abstract The algebraic structure for creation and annihilation operators defined on orthogonal orbitals is generalized to permit easy development of bound-state techniques involving the use of non-Hermitian Hamiltonians arising from the use of complex-scaling or complex-absorbing potentials in the treatment of electron scattering resonances. These extensions are made possible by an orthogonal transformation of complex biorthogonal orbitals and states as opposed to the customary unitary transformation of real orthogonal orbitals and states and preserve all other formal and numerical simplicities of existing bound-state methods. The ease of application is demonstrated by deriving the modified equations for implementation of a quadratically convergent multiconfigurational self-consistent field (MCSCF) method for complex-scaled Hamiltonians but the generalizations are equally applicable for the extension of other techniques such as single and multireference coupled cluster (CC) and many-body perturbation theory (MBPT) methods for their use in the treatment of resonances. This extends the domain of applicability of MCSCF, CC, MBPT, and methods based on MCSCF states to an accurate treatment of resonances while still using L2 real basis sets. Modification of all other bound-state methods and codes should be similarly straightforward. © 2005 Wiley Periodicals, Inc. Int J Quantum Chem, 2005 [source] Evaluation of the intramolecular basis set superposition error in the calculations of larger molecules: [n]helicenes and Phe-Gly-Phe tripeptideJOURNAL OF COMPUTATIONAL CHEMISTRY, Issue 6 2008Haydée Valdés Abstract Correlated ab initio calculations on large systems, such as the popular MP2 (or RI-MP2) method, suffer from the intramolecular basis set superposition error (BSSE). This error is typically manifested in molecules with folded structures, characterized by intramolecular dispersion interactions. It can dramatically affect the energy differences between various conformers as well as intramolecular stabilities, and it can even impair the accuracy of the predictions of the equilibrium molecular structures. In this study, we will present two extreme cases of intramolecular BSSE, the internal stability of [n]helicene molecules and the relative energies of various conformers of phenylalanyl-glycyl-phenylalanine tripeptide (Phe-Gly-Phe), and compare the calculated data with benchmark values (experimental or high-level theoretical data). As a practical and cheap solution to the accurate treatment of the systems with large anticipated value of intramolecular BSSE, the recently developed density functional method augmented with an empirical dispersion term (DFT-D) is proposed and shown to provide very good results in both of the above described representative cases. © 2007 Wiley Periodicals, Inc. J Comput Chem 2008 [source] Molecular identification and characterization of rifampicin-resistant Mycobacterium tuberculosis isolates by line probe assay: an approach for rapid diagnosis of multidrug-resistant tuberculosisLETTERS IN APPLIED MICROBIOLOGY, Issue 3 2008C. Bicmen Abstract Aim:, Early identification and characterization of rifampicin-resistant (Rr) Mycobacterium tuberculosis isolates recovered from the samples of tuberculosis (TB) patients in the Aegean (West Anatolian) Region was intended. Methods and Results:, Sixty isolates [47 (78·3%) multidrug-resistant (MDR)], which were identified as M. tuberculosis complex and phenotypically resistant to rifampicin by both BACTEC mycobacteria growth indicator tube (MGIT) 960 and 460 systems were analysed by a commercial line probe assay (INNO-LiPA Rif TB). The concordance of LiPA with the in vitro susceptibility test was found as 98·3%. Among the isolates, S531L (R5 pattern; 46·7%) and L511P/R, S512T, Q513L/K (,S1 pattern; 11·7%) were the most frequent mutation patterns. As compared with the BACTEC systems and conventional techniques for cultivation, identification and in vitro susceptibility testing, INNO-LiPA Rif TB after cultivation in BACTEC MGIT 960 system provided an average of 20 days early diagnosis of RrM. tuberculosis isolates. Conclusions:, Rapid molecular identification and characterization of RrM. tuberculosis isolates after BACTEC MGIT 960 cultivation would be useful for faster diagnosis, infection control and planning of accurate treatment in MDR-TB patients. Significance and Impact of the Study:, Patients with MDR-TB need a specified treatment and efficient follow-up strategies. Rapid and practical methodologies to diagnose and follow these patients should be applied in routine use. [source] Entropy sources in a dynamical core atmosphere modelTHE QUARTERLY JOURNAL OF THE ROYAL METEOROLOGICAL SOCIETY, Issue 614 2006Tim Woollings Abstract Numerical atmosphere models are not generally constructed to ensure accurate treatment of entropy, but little is known about the significance of the resulting errors. This paper examines the entropy changes during a baroclinic wave simulation in a typical dynamical core model, specifically a ,-coordinate spectral model, which includes scale-selective dissipation terms in the form of a numerical hyperdiffusion. Lagrangian entropy conservation is found to be badly represented, with numerical transport errors resulting in cross-isentrope mass fluxes which are of the same size as those associated with some real diabatic processes. In a global average, the total entropy increases at a rate of just 0.5 mW m,2K,1. This, however, is seen to be the residual of two opposing numerical effects which are several times larger, namely the destruction of entropy by dispersion and Gibbs errors, and its creation by diffusion. The entropy generated by diffusion is shown to be remarkably insensitive to the details of the diffusion scheme. This leads us to hypothesize that the entropy source from diffusion is determined by the rate at which small scales are generated by the deformation field of the large-scale flow so that, while the diffusion mechanism is clearly unrealistic, the magnitude of the entropy source is, we argue, representative of that generated by physical dissipative processes in the real atmosphere. Even in this simple model it is not possible to quantify precisely the different entropy sources and sinks which combine to give the overall entropy change. However, we can say that if there is a systematic spurious entropy source in this model, then it is small, i.e. of size 0.5 mW m,2K,1 or smaller. Copyright © 2006 Royal Meteorological Society [source] Prediction 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] | |||||||||||||