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Modeling emergency department operations using advanced computer simulation systems.

We developed a computer simulation model of emergency department operations using simulation software. This model uses multiple levels of preemptive patient priority; assigns each patient to an individual nurse and physician; incorporates all standard tests, procedures, and consultations; and allows patient service processes to proceed simultaneously, sequentially, repetitively, or a combination of these. Selected input data, including the number of physicians, nurses, and treatment beds, and the blood test turnaround time, then were varied systematically to determine their simulated effect on patient throughput time, selected queue sizes, and rates of resource utilization. Patient throughput time varied directly with laboratory service times and inversely with the number of physician or nurse servers. Resource utilization rates varied inversely with resource availability, and patient waiting time and patient throughput time varied indirectly with the level of patient acuity. The simulation can be animated on a computer monitor, showing simulated patients, specimens, and staff members moving throughout the ED. Computer simulation is a potentially useful tool that can help predict the results of changes in the ED system without actually altering it and may have implications for planning, optimizing resources, and improving the efficiency and quality of care.

Appointments and Schedules↗

Exploring clinical study design by computer simulation based on pharmacokinetic/pharmacodynamic modelling.

Computer simulations have been successfully applied in various industries (e.g. automobile, aerospace) to make product development more efficient. Just recently, it was suggested to use simulations in support of clinical drug development for predicting clinical outcomes of planned trials. The methodological basis for this approach is provided by pharmacokinetic and pharmacodynamic mathematical models together with Monte Carlo techniques. In the present paper, the basic notions of clinical trial simulation are introduced and illustrated with the example of an oral anticancer drug. It is shown that computer simulation helps to evaluate consequences of design features on safety and efficacy assessment of the drug which are not easily obtained otherwise. An overview of existing simulation resources with respect to training and software is provided.

Administration, Oral↗

A computer simulation for behavior therapy training.

Computer simulation technology has been applied to a wide variety of learning tasks; however, behavior therapy training has not been among them. A computer simulation has recently been developed for use in behavior therapy training. The simulation written for Apple II microcomputers reflects possible referral, assessment, and intervention procedures encountered by a behavior therapist in a mental health center. Forty-two pieces of assessment information may be drawn from 8 general areas, while 6 different interventions may be chosen after a diagnosis is reached. Simulation content and utility were rated highly by both practicing behavior therapists and trainees.

Behavior Therapy↗

Computer simulations of membrane proteins.

Computer simulations are rapidly becoming a standard tool to study the structure and dynamics of lipids and membrane proteins. Increasing computer capacity allows unbiased simulations of lipid and membrane-active peptides. With the increasing number of high-resolution structures of membrane proteins, which also enables homology modelling of more structures, a wide range of membrane proteins can now be simulated over time spans that capture essential biological processes. Longer time scales are accessible by special computational methods. We review recent progress in simulations of membrane proteins.

Bacterial Proteins↗

The mechanics of heterotypic cell aggregates: insights from computer simulations.

Finite element-based computer simulations are used to investigate a number of phenomena, including tissue engulfment, cell sorting, and checkerboard-pattern formation, exhibited by heterotypic cell aggregates. The simulations show that these phenomena can be driven by a single equivalent force, namely a surface (or interfacial) tension, that results from cytoskeletal components and cell-cell adhesions. They also reveal that tissue engulfment, cell sorting, and checkerboard-pattern formation involve several discernible mechanical features or stages. With the aid of analytical arguments, we identify the conditions necessary for each of these phenomena. These findings are consistent with previous experimental investigations and computer simulations, but pose significant challenges to current theories of cell sorting and tissue engulfment.

Biomechanical Phenomena↗

New aspects and approaches in pre-operative planning of hip reconstruction: a computer simulation.

BACKGROUND: All computer-aided surgery technologies assume that the surgeon knows the best position for the implant components. However, there is indirect evidence that simple anatomical information may not be sufficient for the surgeon to decide size and position of the implant in a repeatable manner. METHOD: In the present study we estimated the variability in choosing the size and position of the components of a cementless total hip replacement (THR), using template-on-radiograph as well as computed tomography (CT)-based computer-aided planning. In addition, using a computer model, we assessed the sensitivity to such variability of implant fitting, location of the joint centre, skeletal range of motion, and resting length of major hip muscles. Using templates, surgeons selected the size with variability up to 2.5 mm for the stem and up to 4 mm for the socket. A similar variability was also observed when the CT-based planning program was used. RESULTS: No major differences were found between surgeons. The standard deviation over repeated planning sessions of the selected position for each component, using the CT-based planning software, was found to be 3.9 mm and 8.9 degrees . CONCLUSION: On the basis of the computer simulation, this variability did not affect the selected biomechanical parameters in a drastic way, although some differences were observed, especially in the lever arm of the hip muscles.

Arthroplasty, Replacement, Hip↗

Protein adsorption on the hydrophilic surface of a glassy polymer: a computer simulation study.

Using atomistic computer simulations, we study the adsorption of different globular protein fragments with different secondary structures on the surface of a hydrophilic glassy polymer, poly(vinyl alcohol), or PVA, and compare the results with our earlier calculations on hydrophobic graphite. The simulations were mainly carried out with implicit solvent in an effective dielectric medium by energy minimizations and molecular dynamics at room temperature. We find that on the hydrophilic PVA surface the fragments basically retain their globular shape with an incomplete denaturation, at variance with our earlier results for the same fragments on graphite. Correspondingly, the interaction energy between the fragments and the surface is significantly smaller than on graphite, both because less residues are in contact with the surface, and because they interact more weakly. Moreover, very few hydrogen bonds are formed between the adsorbate and the PVA surface, since both the protein fragments and the polymer chains separately optimize these interactions. Additional molecular dynamics simulations in explicit solvent were also performed to study the hydration of the adsorbed fragments and to estimate the possible solvation effects.

Adsorption↗

Fast two dimensional computer simulation of bilayer hemifusion.

Computer simulation of model membranes was used to evaluate the possible mechanism of lipid bilayer fusion. The simplified two dimensional model of the membrane cross section was used as an analog of three dimensional reality. Lipid molecules were represented by rod-like structures, and forces between them were limited to attraction/repulsion interactions described by a simple energy function with a minimum; 300-400 molecules were modeled in every simulation. Using the energy minimization procedure, it was possible to obtain stable linear or circular bilayer structures (two dimensional analogs of planar membranes and liposomes). In response to changes in attraction/repulsion equilibrium between molecules these bilayers were able to reorganize via cooperative process. By increasing the headgroup attraction parameter for contacting monolayers, it was possible to induce formation of a zone of hemifusion in the area of bilayer contact. The possible correlation between cooperative bilayer rearrangement in the model and in real bilayers is discussed.

Cations↗

Analyses of normal and abnormal esophageal transport using computer simulations.

Mathematical modeling and computer simulations are combined with concurrent manometric and videofluoroscopic data to analyze the contractile behavior of the esophageal wall during normal and abnormal esophageal bolus transport. The study focuses on axial variations in intraluminal pressure in relationship to deformations of the esophageal wall during the transport process. Four case studies of esophageal bolus transport described by Kahrilas et al. (Gastroenterology 94: 73-80, 1988), one normal and three abnormal, are analyzed in detail by capturing the major elements of both the videofluoroscopic and concurrent manometric data in the mathematical model. In all cases a strong correlation between the deformations of the luminal wall and the axial variations of intraluminal pressure is observed. Simulation of normal bolus transport shows that, whereas only gentle variations in intrabolus pressure occur in the main body of the bolus due to weak frictional forces there, large frictional forces force a rapid rise in pressure near the bolus tail induced by circular muscle squeeze. Of particular interest is the analysis of incomplete clearance of bolus fluid in the aortic arch region. The only physically correct model consistent both with the videofluoroscopic and the manometric data implies the existence of two separate contraction waves, one above and one below the transition zone.(ABSTRACT TRUNCATED AT 250 WORDS)

Animals↗

Study of decision-making in squash competition: a computer simulation approach.

This paper describes how a computer simulation approach was used to specify some of the cognitive processes underlying decision-making in squash competition. The work presented in this article focused on the cognitive strategy of the defending player when choosing among three categories of preparation. (Total preparation for one particular event, partial preparation in favor of one event, and absence of biased preparation.) The defending player is viewed as in information processing system (IPS) placed in a problem-solving situation, the problem being what decision to reach. There are four steps inherent to the computer simulation approach: (a) obtaining the verbal protocol, (2) analyzing the protocol, (3) computer simulation, and (4) validation. This paper describes how each of those steps have been completed, with a special emphasis being placed on the first step of the procedure, that of obtaining the verbal protocol.

Cognition↗

Computer simulation of parkinsonian tremor.

A computer simulation of tremor using a mathematical model is presented, which integrates the traditional two theories; 'peripheral feedback theory' for physiological tremor and central oscillator theory' for Parkinsonian tremor. The model includes a basic stretch-reflex loop, which is modulated by the central nervous system through the gamma fibres. Fatigue of intrafusal fibres, which results from chronic stimulation by the gamma system, is assumed to be the main cause of Parkinsonian tremor. A computer simulation using the model shows that both physiological tremor and Parkinsonian tremor can be caused by the varying contractivity of the intrafusal fibres.

Computers↗

Computer simulation as a basis for pharmacy reengineering.

Using computer simulation can enhance the management decision-making process. Simulations can predict the effects on cost and quality of services. This article discusses the use of computer simulation to assist in planning the reengineering process to change a hospital's drug distribution from a decentralized pharmacy satellite system to a centralized robotic drug dispensing system. Because computer simulation was based on a fixed set of circumstances, circumstances changed before system implemented. Nursing and pharmacy staff and line managers were involved in the review, planning, and implementation that resulted in positive economic and quality outcomes for this project. For organizations to achieve successful change, administrators must play an active and essential part.

Computer Simulation↗

Testing life-cycle theory by computer simulation--I. Introduction of genetical structure.

Computer simulation was used to relax assumptions of analytical life-cycle theory about the eventual outcome of evolution in a constant environment. The computer simulation models, of diploid one-locus genetic systems, are described in detail. Good agreement was obtained between the analytical and simulation outcomes, except in some cases of discrepancy between the male and female life cycles.

Animals↗

Computer simulation of tRNA secondary structure folding.

Computer simulation results of folding linear RNA molecules into secondary structures are presented. The structure is formed by two interacting processes: the RNA molecular chain growth (beginning from an initial length, L0), and the structuring (secondary structure sequential growth in the region of the existing molecular chain, based on the local free energy minimization by sequential addition of elementary substructures--stems). It was found that the final secondary structure formation is greatly influenced by the 'structuring period' T (the ratio of the molecular chain growth rate to the structuring rate), and the direction of RNA synthesis. The computer simulation has been performed for 219 and 906 tRNA genes from two published catalogues, on the whole two-dimensional domain (T,L0) parameters, by using four known free-energy models. Minimum stem length and molecular chain growth direction have been also varied. The calculated secondary structures have been compared to the natural tRNA structures given in the catalogues, and the region of best coincidence for the model parameters has been determined. It has been proved that, on average, > 86% of the paired bases of natural tRNA structures appear in the folding simulation.

Computer Simulation↗

Comparison of real and computer-simulated outcomes of LASIK refractive surgery.

Computer simulations of alternative LASIK ablation patterns were performed for corneal elevation maps of 13 real myopic corneas (range of myopia, -2.0 to -11.5 D). The computationally simulated ablation patterns were designed with biconic surfaces (standard Munnerlyn pattern, parabolic pattern, and biconic pattern) or with aberrometry measurements (customized pattern). Simulated results were compared with real postoperative outcomes. Standard LASIK refractive surgery for myopia increased corneal asphericity and spherical aberration. Computations with the theoretical Munnerlyn ablation pattern did not increase the corneal asphericity and spherical aberration. The theoretical parabolic pattern induced a slight increase of asphericity and spherical aberration, explaining only 40% of the clinically found increase. The theoretical biconic pattern controlled corneal spherical aberration. Computations showed that the theoretical customized pattern can correct high-order asymmetric aberrations. Simulations of changes in efficiency due to reflection and nonnormal incidence of the laser light showed a further increase in corneal asphericity. Consideration of these effects with a parabolic pattern accounts for 70% of the clinical increase in asphericity.

Computer Simulation↗

A polymerization model of chiasma interference and corresponding computer simulation.

A model of chiasma interference is proposed and simulated on a computer. The model uses random events and a polymerization reaction to regulate meiotic recombination between and along chromosomes. A computer simulation of the model generates distributions of crossovers per chromosome arm, position of events along the chromosome arm, distance between crossovers in two-event tetrads, and coincidence as a function of distance. Outputs from the simulation are compared to data from Saccharomyces cerevisiae and the X chromosome of Drosophila melanogaster. The simulation demonstrates that the proposed model can produce the regulation of recombination observed in both genetic and cytological experiments. While the model was quantitatively compared to data from only Drosophila and Saccharomyces, the regulation observed in these species is qualitatively similar to the regulation of recombination observed in other organisms.

Animals↗

Computer simulation of cardiopulmonary resuscitation: computer analysis of a simple electrical model of the circulation.

Extensive research is being conducted to study the mechanism of blood flow during cardiopulmonary resuscitation (CPR). Recently, work has been published using a simple electrical model of the circulation to simulate the hemodynamics of CPR. This analog was a hard-wired circuit consisting of the heart and great vessels modeled as a resistive-capacitive network, pressure as voltage, blood flow as current, blood inertia as inductance and vascular valves as diodes. Such a model is useful for examining the physiology of various methods and techniques of CPR administration. In this investigation, a general purpose circuit simulation program, SPICE Version 2G.6, was used to analyze previously published CPR models. With minor modifications, the program was fully able to simulate the hard-wired circuits. The program is very flexible, allowing for easy model modification and a wide range of parameter values. In addition, the program offers the advantages of increased accuracy and low cost. Suggested future applications are for rapid evaluation of new CPR concepts.

Aorta↗

Computer simulation of the effect of temperature on pH.

The effect of temperature on solution pH was simulated by computer (program PHTEMP). We have determined that the change in pH due to shifts in acid-base equilibria [delta pH = pH(60 degrees C) - pH(25 degrees C)] can be substantial for compounds such as aliphatic amines that have high enthalpies for acid dissociation. This is of particular significance during elevated temperature experiments in which changes in the pKa values of formulation components, and hence the solution pH, can accelerate decomposition as compared to those formulations where sensitive functionality is absent. PHTEMP afforded the following results at initial pH = 7 (25 degrees C): (a) 0.1 M triethylamine (delta H zero = 10.4 kcal/mol) delta pH approximately -0.8; (b) 0.1 M acetic acid (delta H zero = -0.1 kcal/mol) delta pH approximately 0; (c) 0.1 M sulfuric acid (delta H zero 1 = -12 kcal/mol; delta H zero 2 = -5.4 kcal/mol) delta pH approximately -0.4. Solutions of general pharmaceutical interest were also studied and included a 12-component amino acid mixture, 0.1 M glycine, and 0.1 M triethylamine in either 0.02 M citric acid or 0.05 M TRIS buffer. In each case the pH change with temperature was dependent on the concentrations of components, the enthalpies for each acid dissociation, and the starting pH. At lower pH (< 4), PHTEMP predicts that delta pH is typically smaller than at higher pH (> 9). These results are interpreted as the effect of a relative change in hydronium ion activity, delta H+/H+(initial), due to temperature-induced shifts in equilibria (acid dissociation, water autoprotolysis). This relative change must become larger as H+ decreases (pH increases). The output of PHTEMP was experimentally verified with 0.1 M glycine and with a multiple component amino acid solution. In both cases, agreement with prediction was excellent. The results of this investigation underscore the need to critically review formulation choices for both thermodynamic and traditional kinetic effects on the resulting product stability.

Amino Acids↗