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PubMed1994

The optometry game: enhancing test selection and lens prescribing skills by use of computer simulations.

The Optometry Game is a computer simulation developed to aid students in practicing test selection and lens prescription skills. Features of the simulation include a game format, digitally reproduced voices and patient pictures, and the ability of the user to customize the game for a variety of applications. Twenty optometry students evaluated the game by playing a variety of simulated patients and found it to be potentially useful in various classroom learning environments.

Computer Simulation↗
PubMed1999

The use of computer simulation as a strategic decision-making tool: a case study of an emergency department application.

Computer simulation is a recognized decision support tool, one which has been used in many healthcare applications. Simulation offers the benefit of constructing and analyzing multiple "what if" scenarios without disrupting patient care or incurring significant cost. This article describes the successful use of computer simulation in the evaluation of multiple restructuring options in the emergency departments of a health sciences centre. Healthcare executives require timely and meaningful information to assist with strategic choices, and computer simulation can play a significant role in decision support.

Computer Simulation↗
PubMed1997

Effectiveness of an endodontic diagnosis computer simulation program.

The effectiveness of a recently developed endodontic diagnosis computer simulation program was examined. Third-year dental students (n = 90) in three successive academic classes were given a pre-test in endodontic diagnosis before any endodontic instruction, and then received ten lectures on diagnostic techniques, endodontic pathology, and radiographic interpretation. The students were subsequently divided into three equal groups not differing statistically on their pre-test results. The first group used an endodontic computer simulation program containing fifteen patient simulations for one hour. The second group had a small-group seminar aiming to cover the same material as in the computer program in the same time period. The third group (control) had no further instruction. The three groups then took a post-test to evaluate their diagnostic knowledge in endodontics. The improvement of scores from pre- to post-test in the three groups were statistically different (p = 0.018). The simulation group students improved significantly more than the seminar group (p = 0.05) and the Control Group (p = 0.0024). Difference in improvement between the seminar group and the control group was not statistically significant (p = 0.20). Students were able to cover more cases on average using the simulation program than were covered in the seminar (t-test, p < 0.0001).

Computer Simulation↗
PubMed2001

Determination of the cis-trans isomerization barrier of several L-peptidyl-L-proline dipeptides by dynamic capillary electrophoresis and computer simulation.

Dynamic capillary electrophoresis (DCE) and computer simulation of the elution profiles with the theoretical plate and the stochastic model has been applied to determine the isomerization barriers of the three dipeptides L-alanyl-L-proline, L-leucyl-L-proline, and L-phenylalanyl-L-proline. The separation of the rotational cis-trans isomers has been performed in an aqueous 70 mM borate buffer at pH 9.5. Interconversion profiles featuring plateau formation and peak broadening were observed. To determine the rate constants k1 and k(-1) of the cis-trans isomerization in dynamic capillary electrophoresis, equations have been derived for the theoretical plate model and stochastic model. The electropherograms were simulated with the ChromWin software which uses the experimental data plateau height h(plateau), peak width at half height Wh, the total migration times of the cis-trans isomers tR and the electroosmotic break-through time t0 as well as the peak ratio [cis]/[trans]. From temperature-dependent measurements, the rate constants k1 and k(-1) and the kinetic activation parameters deltaG#, deltaH# and deltaS# of the cis-trans isomerization of the three dipeptides were obtained.

Computer Simulation↗
PubMed2000

Timing mechanisms in the cerebellum: testing predictions of a large-scale computer simulation.

We used large-scale computer simulations of eyelid conditioning to investigate how the cerebellum generates and makes use of temporal information. In the simulations the adaptive timing displayed by conditioned responses is mediated by two factors: (1) different sets of granule cells are active at different times during the conditioned stimulus (CS), and (2) responding is not only amplified at reinforced times but also suppressed at unreinforced times during the CS. These factors predict an unusual pattern of responding after partial removal of the cerebellar cortex that was confirmed using small, electrolytic lesions of cerebellar cortex. These results are consistent with timing mechanisms in the cerebellum that are similar to Pavlov's "inhibition of delay" hypothesis.

Animals↗
PubMedDate not supplied

Determination of the enantiomerization barrier of chlorthalidone by dynamic electrokinetic chromatography and computer simulation.

Dynamic electrokinetic chromatography (DEKC) and computer simulation have been used to determine the enantiomerization barrier of the drug chlorthalidone, which is commonly employed as a diuretic. The separation of enantiomers was performed in an aqueous 100 mM citric acid/phosphate buffer system at pH 5 containing 12.5 mg/mL carboxymethyl-beta-cyclodextrin and dimethyl-beta-cyclodextrin each as a dual chiral recognition system. The enantiomerization that occurred during separation resulted in a peak distortion, i.e., plateau formation and peak broadening. The interconversion profiles were simulated with ChromWin software, which is based on the theoretical plate as well as on the stochastic model using the experimental data plateau height, hplateau; peak width at half height, Wh, and total retention time, tR. Peak form analysis yielded the rate constants, k1 and k(-1) as well as the kinetic activation parameters, deltaG++, deltaH++, and deltaS++ of the enantiomerization reaction of chlorthalidone 1. At 37.5 degrees C, the enantiomerization barrier, deltaG++, was determined to be 100.6 +/- 0.4 kJ/mol(-1); the activation parameters by temperature-dependent measurement, deltaH++ = 69.2 +/- 0.2 kJ/mol , deltaS++ = -101 +/- 6 J K(-1) mol(-1) and the half-life, tau, was found to be approximately 2.5 hr.

Chemical Phenomena↗
PubMed2000

Computer simulations of electrokinetic injection techniques in microfluidic devices

Computer simulations are used to study electrokinetic injections on microfluidic devices (microchips). The gated and pinched injection techniques are considered. Each injection technique uses a unique sequence of steps with different electric field distributions and field magnitudes in the channels to effectuate a virtual valve. The goal of these computer simulations is to identify operating parameters providing optimal valve performance. In the pinched injection, the conditions of both loading and dispensing steps were analyzed to reach a compromise between the sample plug spatial extent and its concentration. For the gated injection, the condition of leakage free valve operation was found for the sample loading step. The simulation results for the gated valve are compared with experimental data.

Journal Article↗
PubMed2004

Determination of the cis-trans isomerization barrier of enalaprilat by dynamic capillary electrophoresis and computer simulation.

Dynamic capillary electrophoresis (DCE) and computer simulation of the elution profiles with the stochastic model has been applied to determine the isomerization barriers of the angiotensin converting enzyme inhibitor enalaprilat. The separation of the rotational cis-trans isomeric drug has been performed in an aqueous 20 mM borate buffer at pH 9.3. Interconversion profiles featuring plateau formation and peak broadening were observed. To evaluate the rate constants k(cis-->trans) and k(trans-->cis) of the cis-trans isomerization from the experimental electropherograms obtained by dynamic capillary electrophoresis, elution profiles were analyzed by a simulation with iterative convergence to the experimental data using the ChromWin software which requires the total migration times of the individual isomers t(R), the electroosmotic break-through time t(0), the plateau height h(plateau), the peak widths at half height of the individual isomers w(h), as well as the peak ratio of the isomers as experimental data input. From temperature-dependent measurements between 0 degrees and 15 degrees C the thermodynamic parameters Delta G, Delta H and Delta S, the rate constants k(cis-->trans) and k(trans-->cis) and the kinetic activation parameters Delta G*, Delta H*, and Delta S* of the cis-trans isomerization of enalaprilat were obtained. From the activation parameters the isomerization barriers at 37 degrees C were calculated to be Delta G* (trans-->cis) = 87.2 kJ.mol(-1) and Delta G*(cis-->trans) = 91.9 kJ.mol(-1).

Computer Simulation↗
PubMed1989

Basilar crescentic osteotomy. A three-dimensional computer simulation.

A three-dimensional computer simulation of the basilar crescentic osteotomy has been presented. The bunion deformity consists of hallux valgus, an increased first and second intermetatarsal angle, pronation of the great toe, and elevation of the first metatarsal head. Every foot is different and some may have more or less of each of the above noted components. Because the deformity is multiplanar, at least two roentgenograms are needed to evaluate the deformity. The weight-bearing, anterior-posterior roentgenogram is the principle radiograph used in preoperative planning. The use of a weight-bearing, sesamoid roentgenogram is recommended to quantify the anterior-posterior deflection and rotation of the first metatarsal head. A computer model (based on a cylinder) of the first metatarsal has been formulated. The osteotomy then was performed in a variety of scenarios in order to simulate the surgical correction. A great deal of flexibility is afforded by this osteotomy. The surgeon needs to be aware of the coupled motions that occur. That is, closure of the intermetatarsal angle may also cause head rotation, depression, or elevation. If the osteotomy is performed in an oblique multiplanar direction, then it is possible for the metatarsal head to elevate, pronate, and significantly shorten as the intermetatarsal angle is closed. If this scenario should occur, a poor surgical outcome will result. Excision of the medial eminence is recommended after the osteotomy has been completed and secured with stable fixation because of these rotational changes. The basilar crescentic osteotomy is an excellent method for correction of a marked metatarsus primus varus. It is important to pay close attention to a variety of anatomic considerations. The osteotomy must not be made in the diaphysis because of potential nonunion. There should be little dissection of the periosteum because of possible delayed union. As in any bunion surgery, it is essential to perform an adequate, distal, soft-tissue repair. Three dimensional preoperative planning is essential in obtaining correction of all components of a bunion. Specific guidelines, based on a three-dimensional computer model, are now available. An interactive computer program also is available to aid the surgeon in preoperative planning. We hope there will be better understanding of this technically difficult but highly versatile osteotomy.

Hallux Valgus↗
PubMed2005

The relation of breast cancer staging to screening protocol compliance: a computer simulation study.

A computer model based on relational database techniques was used to analyze the relationship between staging and population compliance to a breast cancer screening protocol. Stage distribution data permitted estimates of compliance to the protocol. This relationship followed the equation y=5.83e-2.44x where y was compliance and x was disease stage. Application of this equation to SEER and NCDB data estimated that the levels of compliance never exceeded 16 percent. Results indicated increasing clinical Stage IV disease as population compliance decreased. As the clinical staging increased there was increased sub-clinical Stage IV disease. With regular screening, simulation suggested that mortality would decrease.

Adult↗
PubMedDate not supplied

Methodologic trends in the healthcare professions: computer adaptive and computer simulation testing.

Assessing knowledge and performance on computer is rapidly becoming a common phenomenon in testing and measurement. Computer adaptive testing presents an individualized test format in accordance with the examinee's ability level. The efficiency of the testing process enables a more precise estimate of performance, often with fewer items than traditional paper-and-pencil testing methodologies. Computer simulation testing involves performance-based, or authentic, assessment of the examinee's clinical decision-making abilities. The authors discuss the trends in assessing performance through computerized means and the application of these methodologies to community-based nursing practice.

Clinical Competence↗
PubMed1989

Computer simulation for teaching membrane potential fundamentals.

A computer simulation of membrane potential generation is presented. It allows the user to vary the intra and extracellular concentrations of sodium, potassium and chloride ions (Na+, K+ and Cl-), and determine the membrane potential and the equilibrium potential for each ion. The permeability coefficients for the ionic species considered, and the temperature may also be changed at will. Concentration-potential curves may be obtained at any time. The user may also select a voltage clamp option, which allows him to impose a certain membrane potential value, and study the resulting driving force for each ion. The use of the program in general physiology courses has shown it to be a useful aid for teaching the principles of membrane potential generation.

Chlorides↗
PubMed1994

Head group and chain behavior in biological membranes: a molecular dynamics computer simulation.

A computer-modeled hydrated bilayer model of the lipid 2,3-dimyristoyl-D-glycero-1-phosphorylcholine in the L alpha phase was built. Particular care was taken in building the starting structure with the inclusion of structural detail reported in experiments on the L alpha phase. Molecular dynamics simulations using the molecular dynamics and energy refinement program AMBER 3.1 force field with an optimized parameters for liquid simulation parameter set were run to study the motions and conformations of the lipid molecules and characterize the behavior and structure of the head groups and the hydrocarbon lipid chains. Although the head groups were observed to show great flexibility, certain head-group torsion combinations appeared favored. The observed tilt of the lipid chains is discussed and is consistent with previous experimental findings. Motion of the lipid chains is shown to be correlated with those chains immediately surrounding, but correlation with chains more distant varies with time.

Biophysical Phenomena↗
PubMed1977

Correlation between areas of ventricular preexcitation and types of WPW QRS patterns by means of computer simulation of ventricular activation sequence.

Computer simulation of the ventricular activation sequence of the WPW syndrome was attempted by producing fusion beats in which localized ventricular myocardium was activated earlier than the "normal excitation". It suggested that the site of pre-excitation was; i) at the posterior or the lateral free wall of the left ventricle adjacent to the A-V groove in type A, ii) at the antero-lateral base of the right ventricle in type B, and iii) at the posterior paraseptal region of the right ventricle in type C. A mild degree of pre-excitation at the left ventricular postero-lateral region will result in type B QRS complexes.

Computers↗
PubMed1988

Computer simulation of biological interactions and reactivity.

Computer simulations of molecular motion provide a useful tool for analyzing dynamic aspects of macromolecular structure and function. In many cases, simulations can be compared to experimental results that provide an average estimate of molecular flexibility. For example, variations in computed molecular motions in different regions of a protein structure can be compared to refined B-values obtained from X-ray crystallographic refinement. Such comparisons both provide a detailed view of the motions responsible for crystalline disorder, and allow an evaluation of how crystal packing affects mobility of groups on the protein surface. In these applications, dynamics simulations provide a means of regenerating the temporal dimension of a structure whose average behavior is experimentally well defined in the crystal lattice. An additional benefit of the detailed and instantaneous view of molecular flexibility offered by simulation methods lies in its potential for exploring infrequent structural fluctuations or dynamic states of molecular association that cannot be examined in detail by X-ray methods, but are suggested on the basis of alternative structural information. For example, studies of the effects of surface chemical modification on interacting proteins can produce information concerning the sites, if not the exact details, of the intermolecular interactions. The present work describes some applications of molecular dynamics methods to the study of large molecular aggregates whose dynamic properties thus far have precluded detailed structural descriptions. These include simulations of an electrostatically associated electron transfer complex between cytochromes c and b5, some model systems for trans-membrane ion channels, and a phospholipid micelle.

Computer Simulation↗
PubMed2004

Totally asymmetric exclusion process on chains with a double-chain section in the middle: computer simulations and a simple theory.

Computer simulations of the totally asymmetric simple-exclusion process on chains with a double-chain section in the middle are performed in the case of random-sequential update. The outer ends of the chain segments connected to the middle double-chain section are open, so that particles are injected at the left end with rate alpha and removed at the right end with rate beta. At the branching point of the graph (the left end of the middle section) the particles choose with equal probability 1/2 which branch to take and then simultaneous motion of the particles along the two branches is simulated. With the aid of a simple theory, neglecting correlations at the junctions of the chain segments, the possible phase structures of the model are clarified. Density profiles and nearest-neighbor correlations in the steady states of the model at representative points of the phase diagram are obtained and discussed. Cross correlations are found to exist between equivalent sites of the branches of the middle section whenever they are in a coexistence phase.

Journal Article↗
PubMed2006

Computer simulated additional deep apical biopsy enhances cancer detection in palpably benign prostate gland.

OBJECTIVES: The objective of this study was to use computer simulation to investigate the optimal biopsy scheme for enhancing the detection of cancer in palpably benign prostate glands. METHODS: The predominant distribution of palpably benign prostate cancer is anterior apex to mid-prostate. We used computer simulation to optimize apical samplings and to simulate the biopsy procedure, including angle and length. A total of 254 consecutive patients with palpably benign prostate glands underwent sextant biopsy plus two additional deep apical biopsies. RESULTS: Based on the computer simulation, lateral sextant and two additional medially located deep apical cores with a sagittal penetration angle of 80 degrees had the maximum cancer detection. Of the 254 patients, 58 (22.8%) had prostate cancer: 28 (48.3%) were positive only at the standard sextant sites, 12 (20.7%) were positive exclusively at the deep apical sites, and the remaining 18 (31.0%) were positive at both sites. Patients with gray-zone prostate-specific antigen (PSA) ranges of 4.1-10.0 ng/mL had increased cancer detection rates of 24% compared to sextant biopsy. Enhanced cancer detection by the deep apical biopsy was also evident in patients with a prostatic volume >40 cm3 (by 36.4%) and PSA 2.1-4.0 ng/mL (by 13.3%). CONCLUSIONS: Using a computer simulation-based biopsy scheme with deep apical sampling cores enhanced the detection of prostate cancer in palpably benign glands, especially in men with PSA ranges of 4.1-10.0 ng/mL or a gland volume of >40 cm3. Our approach with fewer sampling cores may have been more cost-effective than other extensive biopsy schemes, but further studies with larger samples are warranted.

Aged↗
PubMed1997

Informational Capacity and Recall Quality in Sparsely Encoded Hopfield-like Neural Network: Analytical Approaches and Computer Simulation.

A sparsely encoded Hopfield-like attractor neural network is investigated analytically and by computer simulation. Informational capacity and recall quality are evaluated. Three analytical approaches are used: replica method (RM); method of statistical neurodynamics (SN); and single-step approximation (SS). Computer simulation confirmed the good accuracy of RM and SN for all levels of network activity. SS is accurate only for large sparseness. It is shown that informational capacity monotonically increases when sparseness increases, while recall quality changes nonmonotonically: initially it decreases and then increases. Computer simulation revealed the main features of network behaviour near the saturation which are not predicted by the used analytical approaches. Copyright 1997 Elsevier Science Ltd.

Journal Article↗