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At least 469 records · Page 26Linked to original sources
PubMed1988

The modelling of nucleophilic and electrophilic additions to organometallic complexes using molecular graphics techniques.

A new formalism has been developed in order to evaluate intermolecular interaction energies for inorganic and organometallic complexes in the framework of the extended Hückel method. In order to provide the shortest possible response time on an interactive computer graphics facility, this model should require the minimum amount of computer time, which explains why approximate procedures are used to evaluate electrostatic, charge transfer and exchange repulsion components. When applying this model to typical examples of electrophilic addition reactions to organometallic complexes, it is found that it is essential to take account of charge transfer interactions, the electrostatic component alone being not sufficient, even qualitatively, for a proper description of the reaction mechanism. The results, presented as color-coded dot molecular surfaces, show a very good agreement with experiment as to the site of attack, namely (i) on metal for the electrophilic attack on Fe(cp)2, Fe(CO)5 and X(cp)(CO)2, X = Co, Rh; (ii) on the cp ligand for the nucleophilic attack on Co(cp)2+ and Rh(cp)2+; (iii) on bz for the nucleophilic attack on Fe(cp)(bz)+. Finally, modellizations of the nucleophilic attack on a coordinated olefin and of the relation between structure and acidic properties of zeolites are presented and discussed.

Computer Graphics↗
PubMed2001

Multiscale computing.

Multiscale computing (MSC) involves the computation, manipulation, and analysis of information at different resolution levels. Widespread use of MSC algorithms and the discovery of important relationships between different approaches to implementation were catalyzed, in part, by the recent interest in wavelets. We present two examples that demonstrate how MSC can help scientists understand complex data. The first is from acoustical signal processing and the second is from computer graphics.

Computer Graphics↗
PubMed1984

Analyzing and comparing the performance of two real-time playback systems.

A technique used in animated computer graphics involves the use of real-time playback. This method is used when it is not possible to display frames of display code in real-time. Instead, frames are compiled in advance at non realtime rates, saved in secondary storage, and played back at desired realtime speeds. The basic design and operation of two such systems will be considered. The more powerful of the two is built upon an Evans and Sutherland picture System I and utilizes animated vector graphics. The other playback system is built upon a Terak micro computer display and represents an example of rudimentary raster graphics animation. The synchronization, buffering, blocking and man-machine interfaces of both systems are detailed thus spotlighting their operational behavior. A comparison of the two systems show: that similarities in the logical organization of each system exist; that both systems are input bound; and both require their image files to be built on other computer systems. The differences in the performance of the two systems can be attributed to technological differences between the two systems; the retrieval rates of their respective disk subsystems; and differences in the intent and purpose behind the design of each machine. The systems are demonstrated by applying them to chemical modeling. It is determined that playback is a useful technique for examining complicated sequential situations or for providing the concise and convenient representation of large amounts of data.

Computer Graphics↗
PubMed2002

[Applications of informatics in anesthesiology: anesthesia graphics].

Computerization has brought radical changes to anesthesiology. Quality of care, management, cost control, training, research, safety and privacy have all improved. The anesthesiologist has been freed from repetitive clerical tasks and is able to make better use of time. A graphic display of anesthesia is only one of the many computer applications available as a consequence of links created among monitoring, continuous infusion and intelligent alarm systems, automatic data collection, network monitoring and the availability of bibliographic information (through Internet connection). The computer graphic display of anesthesia is more precise, legible, complete and reliable (during critical events, in substitutions of anesthesiologists or for research) than the traditional graph. One of the greatest problems of computer graphing today--besides start-up costs--is that of inserting comments on monitoring artifacts, given that the graph is a legally valid medical document.

Anesthesiology↗
PubMed1996

The three-dimensional bone interface of an osseointegrated implant. II: A morphometric evaluation after three months of loading.

To clarify the three-dimensional bone structure around two plasma-sprayed hydroxyapatite-coated titanium implants loaded for 3 months in a monkey, computer graphic evaluation was performed after computer-assisted integration of 70 serial buccolingual sections at 75 microm intervals. Quantitative analysis of the bone contact ratio (BCR) was also conducted with programmed software. The graphics revealed the macroscopic bone structure. The BCR values varied in portions from the top to the bottom of the implant and in the buccolingual or mesiodistal directions. Because these two implants had more cortical bone at the top portion in the lingual direction, the BCR was greatest in the lingual direction. The BCR values at the bottom portion of the two implants were greater than those at the top portions along the horizontal plane, which suggested the effect of loading. The lowest BCR value was observed at the top portion of one implant at a site where moderate periimplant gingivitis was observed. The total surface BCR value for the implants was 69.3% and 64.5%. These results provide additional detailed information on the bone structure around the hydroxyapatite-coated implant after short-term loading.

Animals↗
PubMed1991

A veterinary digital anatomical database.

This paper describes the Veterinary Digital Anatomical Database Project. The purpose of the project is to investigate the construction and use of digitally stored anatomical models. We will be discussing the overall project goals and the results to date. Digital anatomical models are 3 dimensional, solid model representations of normal anatomy. The digital representations are electronically stored and can be manipulated and displayed on a computer graphics workstation. A digital database of anatomical structures can be used in conjunction with gross dissection in teaching normal anatomy to first year students in the professional curriculum. The computer model gives students the opportunity to "discover" relationships between anatomical structures that may have been destroyed or may not be obvious in the gross dissection. By using a digital database, the student will have the ability to view and manipulate anatomical structures in ways that are not available through interactive video disk (IVD). IVD constrains the student to preselected views and sections stored on the disk.

Anatomy, Veterinary↗
PubMedDate not supplied

Using greyscale voxel databases for improved shading and segmentation.

Many different data representations are possible in computer graphics. Originally, in the medical field, simplified methods were used in order to reduce computation times on small computer systems. Currently a wider range of techniques is developing as costs of hardware continue to fall. In this paper we review a number of possible representations and explain the advantage of one that is greyscale, volumetric and random access. Different segmentation techniques can be used, as well as shading algorithms that give greatly improved appearances. A quantitative analysis of shading methods is derived in terms of the degree of sampling of the 'pseudo-normal' vectors that estimate the direction of the tangent to a surface. The application to a study of multiple sclerosis lesions in the brain using nuclear magnetic resonance data is shown.

Brain↗
PubMed2001

New graphics models for PC based ocular surgery simulator.

High-end graphics workstations (GWS) have been used for surgical simulators utilizing Computer Graphics (CG) and Virtual Reality (VR) technologies. This is because the simulators need lots of computing power, mainly for collision detection among objects modeled as a set of polygons. In this paper, we propose to use mathematical functions to model objects for collision detection. However, for graphic display we continue to use polygonal representation. Using the new model, we have developed a PC based ocular surgery simulator, which creates realistic surgery image in real-time. The computation time was found to be much lower than that in the conventional method.

Computer Graphics↗
PubMed1992

Designing a user interface and computer screens for instruction: some considerations.

Computer-assisted instruction and interactive videodisc are being used more often in allied health sciences education and medical training. Because computer graphics screens can enhance both legibility and readability, an effective computer interface for instruction is basic to the design and development of both. This article discusses guidelines on legibility, which includes the use of graphics, type and text, contrast, and color.

Color↗
PubMed1994

Sculpting proteins interactively: continual energy minimization embedded in a graphical modeling system.

We describe a new paradigm for modeling proteins in interactive computer graphics systems--continual maintenance of a physically valid representation, combined with direct user control and visualization. This is achieved by a fast algorithm for energy minimization, capable of real-time performance on all atoms of a small protein, plus graphically specified user tugs. The modeling system, called Sculpt, rigidly constrains bond lengths, bond angles, and planar groups (similar to existing interactive modeling programs), while it applies elastic restraints to minimize the potential energy due to torsions, hydrogen bonds, and van der Waals and electrostatic interactions (similar to existing batch minimization programs), and user-specified springs. The graphical interface can show bad and/or favorable contacts, and individual energy terms can be turned on or off to determine their effects and interactions. Sculpt finds a local minimum of the total energy that satisfies all the constraints using an augmented Lagrange-multiplier method; calculation time increases only linearly with the number of atoms because the matrix of constraint gradients is sparse and banded. On a 100-MHz MIPS R4000 processor (Silicon Graphics Indigo), Sculpt achieves 11 updates per second on a 20-residue fragment and 2 updates per second on an 80-residue protein, using all atoms except non-H-bonding hydrogens, and without electrostatic interactions. Applications of Sculpt are described: to reverse the direction of bundle packing in a designed 4-helix bundle protein, to fold up a 2-stranded beta-ribbon into an approximate beta-barrel, and to design the sequence and conformation of a 30-residue peptide that mimics one partner of a protein subunit interaction. Computer models that are both interactive and physically realistic (within the limitations of a given force field) have 2 significant advantages: (1) they make feasible the modeling of very large changes (such as needed for de novo design), and (2) they help the user understand how different energy terms interact to stabilize a given conformation. The Sculpt paradigm combines many of the best features of interactive graphical modeling, energy minimization, and actual physical models, and we propose it as an especially productive way to use current and future increases in computer speed.

Amino Acid Sequence↗
PubMed1989

Efficiency of graphical perception.

The term graphical perception refers to the part played by visual perception in analyzing graphs. Computer graphics have stimulated interest in the perceptual pros and cons of different formats for displaying data. One way of evaluating the effectiveness of a display is to measure the efficiency (as defined by signal-detection theory) with which an observer extracts information from the graph. We measured observers' efficiencies in detecting differences in the means or variances of pairs of data sets sampled from Gaussian distributions. Sample size ranged from 1 to 20 for viewing times of 0.3 or 1 sec. The samples were displayed in three formats: numerical tables, scatterplots, and luminance-coded displays. Efficiency was highest for the scatterplots (approximately equal to 60% for both means and variances) and was only weakly dependent on sample size and exposure time. The pattern of results suggests parallel perceptual computation in which a constant proportion of the available information is used. Efficiency was lowest for the numerical tables and depended more strongly on sample size and viewing time. The results suggest serial processing in which a fixed amount of the available information is processed in a given time.

Attention↗
PubMed1995

A graphics-based software system to develop and analyze models of musculoskeletal structures.

We have created a graphics-based software system that enables users to develop and analyze musculoskeletal models without programming. To define a model using this system one specifies the surfaces of the bones, the kinematics of the joints and the lines of action and force-generating parameters of the muscles. Once a model is defined, the function of each muscle can be analyzed by computing its length, moment arms, force and joint moments. The software has been implemented on a computer graphics workstation so that users can view the model from any perspective and graphically manipulate the joint kinematics and musculoskeletal geometry. Models can also be animated to visualize the results of motion analysis experiments. Since the software can be used to study models of many different musculoskeletal structures, it can enhance the productivity of investigators working on diverse problems in biomechanics.

Algorithms↗
PubMed1992

Linear models of surface and illuminant spectra.

We describe procedures for creating efficient spectral representations for color. The representations generalize conventional tristimulus representations, which are based on the peripheral encoding by the human eye. We use low-dimensional linear models to approximate the spectral properties of surfaces and illuminants with respect to a collection of sensing devices. We choose the linear-model basis functions by minimizing the error in approximating sensor responses for collections of surfaces and illuminants. These linear models offer some conceptual simplifications for applications such as printer calibration; they also perform substantially better than principal-components approximations for computer-graphics applications.

Algorithms↗
PubMed1999

[Computer-assisted surgery for hip endoprosthesis].

The use of computer-controlled robots for implanting cement-free prostheses requires exact preoperative planning on a three-dimensional graphics computer (ORTHODOC). For the first time ever, it has been possible to implement the three-dimensional plan using a computer-controlled robot working on patients. We assume that the considerably improved bone contact provided by the high-precision reaming process--an thus high primary stability--will lead to better incorporation in the bone. In experiments on dogs, in which cement-free hips had been implanted using computer-assisted robots, the animals showed much earlier and more uniform weight-bearing on the affected extremity than animals in a control group that had received conventional implants. In histological therms, the precise fit obtained by the ROBOCOC was accompanied by primary angiogenic healing patterns that all demonstrated labels during the first four weeks. The manually reamed comparators showed more pronounced fissure and defect healing, the healing patterns was irregular, and turnover activity was demonstrate.

Arthroplasty, Replacement, Hip↗
PubMed1992

Computer-based multimedia in plastic surgery education.

Rapid developments in communications networks (cellular telephone, direct-link satellite, and international high-speed computer nets) and the continued success of affordable powerful personal computers (desktop, laptop and soon "palmtop" devices) have set the stage for educational materials accessible by electronic means. Computer-based multimedia are sophisticated audiovisual teaching materials built from digitized illustrations, photographs, audio and video recordings viewed by display on a computer screen. The computer interface allows interactive access to information, and connectivity to other sources of information. Computer programmability allows presentation of a single collection of information at different levels of sophistication (the "patient", "medical student" or "surgeon trainee" level, for example), to appeal to different viewer needs. The information may be electronically updated or changed whenever appropriate. This desktop exhibit demonstrates multimedia plastic surgery teaching materials with full-fidelity digital sound, three-dimensional computer graphics, and "picture-in-picture" video capabilities that we have developed since 1989. We have used these materials at St. Louis University for patient informed consent, and the education of medical students and surgical trainees. We are excited that similar multimedia teaching materials are now becoming commercially available in other fields of medical education, attesting to broadening interest among educators and publishers.

Computer Graphics↗
PubMed1996

Human body textbook with three-dimensional illustrations.

We made a toolkit for making education softwares using 3D computer graphics, and using the toolkit, we made an education software based on 3D illustrations for learning about the human body. The toolkit enables us to make such kind of education software based on 3D illustrations easy and systematic. In the education software, the human body structure is illustrated with 3D models. The user can see the 3D objects with real-time rotation and walk through the virtual space, and their functions are expressed in the 3D virtual space.

Anatomy, Cross-Sectional↗
PubMedDate not supplied

The influence of teeth on denture base processing accuracy.

The Michigan Computer Graphics Coordinate Measuring System was used to determine the influence of denture teeth on the accuracy of processed denture bases. Three different processing methods--compression molding, injection pressing, and vacuum-assisted resin pouring--were used. The presence of denture teeth was determined to affect the accuracy of the processed denture bases of all three techniques. For denture bases without teeth, the compression-molding technique demonstrated significant differences in accuracy; however, no significant differences were found in the injection-pressed or resin-poured denture bases.

Computer Graphics↗