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At least 631 records · Page 35Linked to original sources
PubMed2000

Relationship of hemoglobin A1c, age of diabetes diagnosis, and ethnicity to clinical outcomes and medical costs in a computer-simulated cohort of persons with type 2 diabetes.

OBJECTIVE: To project the impact of maintaining long-term glycemic control (i.e., a sustained reduction in glycosylated hemoglobin (hemoglobin A1c [HbA1c]) on the lifetime incidence and direct medical costs of complications in persons with type 2 diabetes. STUDY DESIGN, PATIENTS, AND METHODS: Computer simulation of hypothetical patient cohorts using a published model developed by the National Institutes of Health. RESULTS: Across all HbA1c levels, Hispanics had the highest and whites had the lowest complication rates. With lower maintained HbA1c, the absolute decrease in complication rates was greatest and the reduction in direct medical expenditures was highest among Hispanics (18% vs 15% for blacks and 12% for whites). Complication rates and costs were most dramatically reduced when lower levels of HbA1c were maintained among persons with a younger age at diagnosis. CONCLUSIONS: Maintaining long-term glycemic control reduces complication rates and costs for medical care for all ethnic groups regardless of age at diagnosis. Relatively greater benefit is achieved by interventions targeting Hispanics and younger, newly diagnosed persons.

Adolescent↗
PubMedDate not supplied

Use of computer simulations for quantitation of 31P ISIS MRS results.

The difficulties in quantitation of in vivo 31P spectra are exacerbated by the fact that, in general, coils with inhomogeneous B1 fields are used with in vivo samples. A general method for quantitation of in vivo 31P MRS results obtained with the ISIS localization method was developed using computer simulations. The simulation calculates the preparation of the sample magnetization throughout the sample by the ISIS pulse sequence, as well as the sensitivity of signal reception. The calculation accounts for both the B1 field and the B0 gradients applied to the sample. The sensitivity of the experiment is expressed by integration of the simulated signal over the sample, assuming a homogeneous sample. The primary advantage of this approach is that a separate localization experiment on a phantom of known concentration is not required each time parameters of the localization experiment, such as dimensions or location of the localized volume, are altered. In addition, the simulations indicate the degree of contamination (signal from outside of the localized volume) that occurs, and provide a means of comparing different executions of the ISIS experiment. Experiments were performed on phantoms to verify the simulations, and experimental results on human brain and liver are reproduced to show that this approach provides reasonable estimates of metabolite levels in terms of molar concentrations.

Computer Simulation↗
PubMed2004

[Computer simulation of high frame rate ultrasonic imaging system based on the angular spectrum concept].

A high frame rate (HFR) ultrasonic imaging method developed by Jianyu Lu has been attracting attention in the related imaging area. Because a special weighting on the received signal is needed to implement this method, the imaging system is complicated. This paper presents a new kind of theroetical analysis for the HFR imaging system in view of the angular spectrum concept. Based on the study, the special weighting process can be replaced by Fourier transform. Computer simulation demonstrates the correctness of the analysis. It shows that the constructed images by the new method have the same high quality as those obtained by using the original HFR method while the system implementation is greatly simplified.

Computer Simulation↗
PubMed1993

Computer simulation of initial events in the biochemical mechanisms of DNA damage.

Understanding the systematic and quantitative correlation between the physical events of energy deposition by ionizing radiation and the ensuing chemical and biochemical processes leading to DNA damage is one of the goals in radiation research. Significant progress has been made toward achieving the stated goal by using theoretical modeling techniques. These techniques are strongly dependent on computer simulation procedures. A review of such techniques with details of various stages of simulation development, including a comparison with available experimental data, is presented in this article.

Base Sequence↗
PubMed2006

Computer simulations of a new three rods ion optic (TRIPOLE) with high focusing and mass filtering capabilities.

A novel three rod (tripole) ion optic to which three AC voltages with symmetrically delayed phase shifts were applied to each electrode. We studied its ion guiding, focusing, and mass filtering capabilities by SIMION ver. 7.0 computer simulations. An electric field mathematical model was developed to calculate the pseudopotential of the tripole radial AC force. The tripole showed stable ion guiding for wide ranges of AC amplitude; better collisional focusing than hexapole and octapole and similar focusing as quadrupole (rod pole). Also, the ion optic clearly showed interesting mass filtering potential when the phase shift was asymmetrically delayed. The symmetric shape of the pseudopotential field explained the tripole ion guiding and focusing capabilities. For mass filtering, the pseudopotential was asymmetric and its effect was balanced with DC voltage to separate the ions, depending in their masses. The resolution was much lower than quadrupole but useful when rough filtering was required.

Computer Simulation↗
PubMed1998

Health gain from restorative dental treatment evaluated by computer simulation.

OBJECTIVE: To simulate the influence over time of relevant factors on health gain from restorative dental treatment under varying assumptions and to compare outcomes with those resulting under a 'do nothing' scenario. DESIGN: A decision model was used in a computer simulation of the caries process in posterior approximal tooth surfaces. The effect of superimposing restorative treatment, based on bitewing radiology, was incorporated. Input data came from current observational studies and included caries progression rates, notional survival times of restorations, and sensitivity (Sn) and specificity (Sp) of treatment decision making by a high (A) and a low (B) performing dentist. Utility values, on a scale 0-1, for different tooth health states were obtained from questioning 92 adults of appropriate age. SETTING: By assumption, the primary dental care sector. PARTICIPANTS: A hypothetical population, initially 14-15 years old. INTERVENTIONS: Class II amalgam restorations. OUTCOME: Computed in utility based units (UBUs) as sums of the product of numbers of sound, carious and restored surfaces and their utility values. Health gain (in UBUs) was assessed relative to interim end point UBUs pertaining under 'do nothing'. RESULTS: One thousand approximal surfaces, designated initially as 920 sound, 51 carious and 29 filled were followed in the model over 10 years. The greatest health gain (33.16 UBUs) was from dentist A (Sn = 0.23, Sp = 0.99, 50 per cent restoration survival rate = 10 years, caries rate = 4.4% per annum). The least was from dentist B (Sn = 0.52, Sp = 0.88, 50% survival = 5 years, caries rate = 0.0% per annum) representing a loss of 17.07 UBUs compared with 'do nothing'. CONCLUSIONS: Results suggest that caution is advisable when making positive decisions to restore on the basis of bitewing radiographs.

Adolescent↗
PubMed1999

Model of 2,3-bisphosphoglycerate metabolism in the human erythrocyte based on detailed enzyme kinetic equations: computer simulation and metabolic control analysis.

This is the third of three papers [see also Mulquiney, Bubb and Kuchel (1999) Biochem. J. 342, 565-578; Mulquiney and Kuchel (1999) Biochem. J. 342, 579-594] for which the general goal was to explain the regulation and control of 2,3-bisphosphoglycerate (2,3-BPG) metabolism in human erythrocytes. 2,3-BPG is a major modulator of haemoglobin oxygen affinity and hence is vital in blood oxygen transport. A detailed mathematical model of erythrocyte metabolism was presented in the first two papers. The model was refined through an iterative loop of experiment and simulation and it was used to predict outcomes that are consistent with the metabolic behaviour of the erythrocyte under a wide variety of experimental and physiological conditions. For the present paper, the model was examined using computer simulation and Metabolic Control Analysis. The analysis yielded several new insights into the regulation and control of 2,3-BPG metabolism. Specifically it was found that: (1) the feedback inhibition of hexokinase and phosphofructokinase by 2, 3-BPG are equally as important as the product inhibition of 2,3-BPG synthase in controlling the normal in vivo steady-state concentration of 2,3-BPG; (2) H(+) and oxygen are effective regulators of 2,3-BPG concentration and that increases in 2,3-BPG concentrations are achieved with only small changes in glycolytic rate; (3) these two effectors exert most of their influence through hexokinase and phosphofructokinase; (4) flux through the 2,3-BPG shunt changes in absolute terms in response to different energy demands placed on the cell. This response of the 2,3-BPG shunt contributes an [ATP]-stabilizing effect. A 'cost' of this is that 2, 3-BPG concentrations are very sensitive to the energy demand of the cell and; (5) the flux through the 2,3-BPG shunt does not change in response to different non-glycolytic demands for NADH.

2,3-Diphosphoglycerate↗
PubMed2004

Saturation in excitatory synapses of hippocampus investigated by computer simulations.

The standard view of the synaptic function in excitatory synapses has been deeply questioned by recent experimental data on hippocampal glutamate synapses both for possible receptor nonsaturation and for larger and non-Gaussian peak amplitude fluctuations. Our previous investigations of the mechanisms involved in the variability of the response of hippocampal glutamatergic synapses, carried out by computer simulation of simple Brownian models of glutamate diffusion, furnished initial evidence about their presynaptic character. A new, refined model, reported here, assumes a collision volume for the glutamate molecule and a more realistic description of receptors and their binding dynamics. Based on this model, conditions for AMPA and NMDA receptor saturation have been investigated and new miniature (or quantal) EPSC parameters have been computed. The results corroborate the hypothesis that the lack of AMPA and NMDA receptor saturation and the EPSC stochastic variability are attributable to the small volume of glutamatergic synaptic vesicles and hence to the small number of glutamate molecules diffusing in the cleft after a vesicle release. The investigations better characterize some not well-known elements of the synaptic structure, such as the fusion pore, and provide useful information on AMPA receptor dynamics. Indeed, a nice fit between computed EPSCs and some miniature EPSCs in recent experimental literature allowed for the computation of new transition time values among the different AMPA receptor states through a trial-and-error optimization procedure. Moreover, the model has been used to evaluate two hypotheses on the genesis of the long-term potentiation phenomenon.

Computer Simulation↗
PubMed2001

Evidence from infrared dichroism, x-ray diffraction, and atomistic computer simulation for a "zigzag" molecular shape in tilted smectic liquid crystal phases.

Infrared dichroism (IR) and atomistic computer simulation are employed to probe molecular shape in smectic liquid crystal phases where the optic axis is tilted relative to the layer normal. Polar plots of absorption profiles due to core (phenyl, C-C) and tail (alkyl or methylene, CH2) vibrations in the tilted synclinic (smectic-C) phase of a variety of materials show the phenyl (core) IR absorbance symmetry axes to be consistently tilted at larger angle from the layer normal than the alkyl or methylene (tail). This suggests that, on average, the tails are less tilted than the cores. Furthermore, we find that optic axis tilt angle is close to the core tilt angle measured by IR dichroism, as expected, since liquid crystal birefringence arises primarily from the cores. These results are in accord with the "zigzag" model of Bartolino, Doucet, and Durand. However, we find that only a small fraction of the tail, the part nearest the core, is tilted, and only this part contributes significantly to layer contraction upon molecular tilt.

Journal Article↗
PubMed2002

Computer simulations of a two-dimensional system with competing interactions.

The results and methodology of large scale computer simulations of the two-dimensional dipolar Ising model with long-range interactions are reported. Systems as large as 117,649 particles were studied to elucidate the elementary excitations and phase diagram of two-dimensional systems, such as Langmuir monolayers, thin garnet films, and adsorbed films on solid surfaces, which spontaneously form patterns of stripes, bubbles, and intermediately shaped domains. The challenging numerical investigations of large scale systems with long-range interactions at low temperatures were made possible by combining the fast multipole method and a non-Metropolis Monte Carlo sampling technique. Our simulations provide evidence that, at sufficiently high ratios of the repulsive to the attractive coupling constant for the model, twofold stripe order in the systems of interest is lost through a defect-mediated mechanism. Heat capacity data and the excitations observed in our simulations as the system disorders indicate that it is most likely an instance of a Kosterlitz-Thouless phase transition. The results from simulations with and without external field are in excellent agreement with the predictions of an analytic scaling theory [A. D. Stoycheva and S. J. Singer, Phys. Rev. E 64, 016118 (2001)], confirming the phase diagram furnished by the analytic model. The scaling theory suggests that, under certain conditions, defect-mediated stripe melting may be supplanted by Ising like disordering within stripes for small repulsion strength. A qualitative discussion of a model that supports both disordering mechanisms is presented.

Journal Article↗
PubMed2002

Computer simulation of structure and microphase separation in model A-B-A triblock copolymers.

A set of computer simulations for three symmetric A-B-A triblock copolymer microarchitectures at varying temperatures is reported. By using the cooperative motion algorithm we obtain energy, specific heat, end-to-end distance, and bridging fraction as a function of the reduced temperature. The order-disorder transition temperatures are determined, an outline of a symmetric A-B-A triblock copolymer phase diagram is presented, and the visualization of different microstructures is given. A bicontinuous microstructure is reported at 67% fraction of A component.

Journal Article↗
PubMed1998

[Application of computer simulation in the study of vibrational distributions for the products from energy transfer reaction].

The method of computer simulation in the study of vibrational distributions for the products from the energy transfer reaction is discussed. Taking the Ar (3P(0.2)) + PCl --> PCl (A3II) reaction as an example, we analysed the process of the simulation and the problems that should be paid attention to. The Franck-Condon factors of PCl (A3II --> X3sigma(-1)) are reported for the first time.

English Abstract↗
PubMedDate not supplied

Using computer simulations and focus groups for planned change in prenatal clinics.

The Colleges of Nursing and Engineering in a southwest Florida university combined efforts to design a project to use time/motion techniques and focus groups to assess patent flow and effective and efficient use of human resources in public health clinics. Data for 877 observations were entered into a computer simulation program that displayed alternative configurations for health resource management. Information from focus groups was used to plan for ways to use clinic wait time more effectively. This article describes data collection and findings.

Adolescent↗
PubMed1990

[Basic study on criteria for the reactivity of non-stress tests by means of computer simulation].

The non-stress test has become one of the most popular tests for antenatal surveillance in modern obstetrics. However, the fact that there are so many criteria for 'reactivity' in this test has made it rather difficult to interpret the results of these tests and compare them with each other. Using computer simulation of the occurrence of acceleration in fetal heart beats, the sensitivity and specificity of eight criteria which are in general use were studied. Diagnosis by Brown's criteria produced the best results for both sensitivity and specificity, but the long time necessary for this test is a drawback. However, the predictive value positive (probability of poor fetal outcome with nonreactivity) is only 62% even according to Brown's criteria when the test is done for antenatal care screening of an unrestricted population. The results of the test are far more convincing when it is reactive because the predictive value negative is more than 96%, even when strictly interpreted.

Computer Simulation↗
PubMedDate not supplied

Patellofemoral stresses during open and closed kinetic chain exercises. An analysis using computer simulation.

Rehabilitation of the symptomatic patellofemoral joint aims to strengthen the quadriceps muscles while limiting stresses on the articular cartilage. Some investigators have advocated closed kinetic chain exercises, such as squats, because open kinetic chain exercises, such as leg extensions, have been suspected of placing supraphysiologic stresses on patellofemoral cartilage. We performed computer simulations on geometric data from five cadaveric knees to compare three types of open kinetic chain leg extension exercises (no external load on the ankle, 25-N ankle load, and 100-N ankle load) with closed kinetic chain knee-bend exercises in the range of 20 degrees to 90 degrees of flexion. The exercises were compared in terms of the quadriceps muscle forces, patellofemoral joint contact forces and stresses, and "benefit indices" (the ratio of the quadriceps muscle force to the contact stress). The study revealed that, throughout the entire flexion range, the open kinetic chain stresses were not supraphysiologic nor significantly higher than the closed kinetic chain exercise stresses. These findings are important for patients who have undergone an operation and may feel too unstable on their feet to do closed chain kinetic chain exercises. Open kinetic chain exercises at low flexion angles are also recommended for patients whose proximal patellar lesions preclude loading the patellofemoral joint in deeper flexion.

Computer Simulation↗
PubMed2005

Complex 1H,13C-NMR relaxation and computer simulation study of side-chain dynamics in solid polylysine.

The side-chain dynamics of solid polylysine at various hydration levels was studied by means of proton spin-lattice relaxation times measurements in the laboratory and tilted (off-resonance) rotating frames at several temperatures as well as Monte Carlo computer simulations. These data were analyzed together with recently measured carbon relaxation data (A. Krushelnitsky, D. Faizullin, and D. Reichert, Biopolymers, 2004, Vol. 73, pp. 1-15). The analysis of the whole set of data performed within the frame of the model-free approach led us to a conclusion about three types of the side-chain motion. The first motion consists of low amplitude rotations of dihedral angles of polylysine side chains on the nanosecond timescale. The second motion is cis-trans conformational transitions of the side chains with correlation times in the microsecond range for dry polylysine. The third motion is a diffusion of dilating defects described in (W. Nusser, R. Kimmich, and F. Winter, Journal of Physical Chemistry, 1988, Vol. 92, pp. 6808-6814). This diffusion causes almost no reorientation of chemical bonds but leads to a sliding motion of side chains with respect to each other in the nanosecond timescale. This work evidently demonstrates the advantages of the simultaneous quantitative analysis of data obtained from different experiments within the frame of the same mathematical formalism, providing for the detailed description of the nature and geometry of the internal molecular dynamics.

Carbon Isotopes↗
PubMedDate not supplied

[Teaching medical diagnosis by computer simulation].

A program of computer-assisted teaching, called AEDM, has been developed to simulate, with a conversational type terminal, the natural process of medical decision making. This system rests on two softwares, 'teaching' and 'inquiring', with 10 000 PASCAL instructions and the database of a computer-assisted diagnostic system (about 100 MO). The study describes the objectives and the characteristics of a system based on a simulation program; using natural procedures and non-specialized software is useful to develop computer-assisted teaching concerning different fields of pathology.

Computer-Assisted Instruction↗
PubMed1995

The computer simulation of RNA folding pathways using a genetic algorithm.

A procedure for simulating the RNA folding process using the principles of genetic algorithm is proposed. The method allows one to simulate a folding pathway of RNA, including such processes as disruption of temporarily formed structures, the folding of a molecule during its synthesis and pseudoknot formation. The simulations are able to predict functional metastable foldings and kinetically driven transitions to more stable structures. The analysis of free energies for intermediate foldings allows estimation of the ranges of kinetic refolding barriers and suggests that in some RNAs the selective evolutionary pressure suppresses the possibilities for alternative structures that could form in the course of transcription. It is shown that the folding pathway simulation can result in structure predictions that are more consistent with phylogenetically proven structures than minimum energy solutions. This suggest that RNA folding kinetics is very important for the formation of functional RNA structures. Therefore, apart form its value for predictions of RNA structures, the proposed computer simulations can be a powerful tool in the studies of RNA folding features.

Algorithms↗