Using X-ray diffraction results and computer graphics to design beta-lactams.
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Anti-Bacterial Agents↗
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Results for “Computer Graphics”
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An interactive computer graphics program for determining the shielding for a megavoltage radiotherapy facility.
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Facility Design and Construction↗
Importance of different nuclear morphologic patterns in grading prostatic adenocarcinoma. An expanded model for computer graphic filters.
The aim of this work was to continue the development of an interactive workstation for the nuclear grading of prostatic lesions by including a large range of nuclear patterns. A previous model was based on four groups: hyperplasia, Mostofi grade 1, Mostofi grade 2 and Mostofi grade 3. Each group included the most common nuclear patterns of the lesions. One set used to test the model included cases showing patterns different from the typical ones of the model. Poor results were obtained for low and medium grades. A review of all the cases in our database led to the conclusion that different nuclear patterns can belong to the same "nuclear grade." Thus, in this work the model was expanded to include six groups: hyperplasia, two subgroups for Mostofi grade 1, two subgroups for Mostofi grade 2 and Mostofi grade 3. A set of 900 nuclei, 150 in each group, was selected to test the model. An additional 300 nuclei, 50 in each group, were used for a test set. The overall success rate for classifying the nuclei in the test set using the new model was 93% as compared to a rate of 71% obtained for the similar test set, described above, using the previous model. Moreover, correlating karyometric features with nuclear morphology indicated a role for nucleoli in nuclear grading. The good results obtained with large and heterogeneous sets of cases indicate that the procedures used to develop this model may be adapted for the development of models for the nuclear grading of other tumors.
Adenocarcinoma↗
The first vector-graphics-aided computer tooth model and its animation.
Computer graphics is here to stay and spreading. This article intends to be nothing more than a brief introduction of this new tool in the field of dentistry. We hope that our colleagues will welcome this new development and recognize it as an opportunity to make contact with the basic sciences.
Algorithms↗
Automatic 3-D grayscale volume matching and shape analysis.
Recently, shape matching in three dimensions (3-D) has been gaining importance in a wide variety of fields such as computer graphics, computer vision, medicine, and biology, with applications such as object recognition, medical diagnosis, and quantitative morphological analysis of biological operations. Automatic shape matching techniques developed in the field of computer graphics handle object surfaces, but ignore intensities of inner voxels. In biology and medical imaging, voxel intensities obtained by computed tomography (CT), magnetic resonance imagery (MRI), and confocal microscopes are important to determine point correspondences. Nevertheless, most biomedical volume matching techniques require human interactions, and automatic methods assume matched objects to have very similar shapes so as to avoid combinatorial explosions of point. This article is aimed at decreasing the gap between the two fields. The proposed method automatically finds dense point correspondences between two grayscale volumes; i.e., finds a correspondent in the second volume for every voxel in the first volume, based on the voxel intensities. Mutiresolutional pyramids are introduced to reduce computational load and handle highly plastic objects. We calculate the average shape of a set of similar objects and give a measure of plasticity to compare them. Matching results can also be used to generate intermediate volumes for morphing. We use various data to validate the effectiveness of our method: we calculate the average shape and plasticity of a set of fly brain cells, and we also match a human skull and an orangutan skull.
Algorithms↗
The dynamics of vortex-like reentry wave filaments in three-dimensional computer models.
Recent studies using computer simulation and biological studies in 2-dimensional excitable media have suggested that spiral wave reentrant activation and its core dynamics are important elements in the mechanism of functional reentrant tachyarrhythmias, such as atrial and ventricular fibrillation. However, vortex-like reentry has been observed in homogeneous 3-dimensional excitable media, and the dynamics of the related "filaments," which have 3-dimensionally connected "cores" in 2 dimensions, have not been clarified. In order to determine whether the filaments of vortex-like reentry waves can be observed in 3-dimensional media using a mathematical ionic current heart model and whether the abnormal ionic currents in myocardium affect the complexity of the filaments, we studied the qualitative features of vortex-like reentry dynamics using mathematical models in computer simulations. We employed the Luo-Rudy Phase I and the FitzHugh-Nagumo models for our heart media, which were cubic and ventricular shaped, and consisted of 8,000,000 and 5,636,654 myocardial units, respectively. Functional reentry, in the form of vortex waves, was induced in the media by the S1-S2 method. The vortex-like reentry waves and their filaments were displayed by computer graphics. Computations were performed on an NEC SX-4 supercomputer (NEC, Tokyo, Japan) using programs written in C language. Computer simulation studies have shown that the filament dynamics of vortex-like reentry in the original Luo-Rudy model is considerably more complex than that in the FitzHugh-Nagumo model. However, when we mathematically modified the L-type calcium current and shortened the action potential duration, just as occurs with sustained rapid ventricular pacing, the dynamics of the vortex-like reentrant wave fronts and the filaments were similar in both models. Our results suggested that the original character of myocardium causes drastic changes in filament shape and location, resulting in intricate functional reentrant waves, and that if the L-type calcium current is depressed, the complexity of the dynamics of the filaments are decreased to some degree.
Calcium↗
[The overview of robot surgery].
Surgical operations have developed in the method which skillful surgeon's hands and eyes are used. However, to realize a new surgical therapy in the 21st century, it is necessary to use various advanced technologies; surgical robots, three dimensional medical images, computer graphics, computer simulation technology and others. Three dimensional medical image for surgical operation provides surgeons with advanced vision. Surgical robots provide surgeons with advanced hand, but it is not a machine to do the same action of a surgeon using scissors or a scalpel. The advanced vision and hands available to surgeons are creating new surgical fields which are minimally invasive surgery, non-invasive surgery, virtual reality micro-surgery, tele-surgery, fetus surgery, neuro-informatics surgery and others in the 21st century.
Computer Graphics↗
Fibre recruitment and shape changes of knee ligaments during motion: as revealed by a computer graphics-based model.
A computer graphics-based model of the knee ligaments in the sagittal plane was developed for the simulation and visualization of the shape changes and fibre recruitment process of the ligaments during motion under unloaded and loaded conditions. The cruciate and collateral ligaments were modelled as ordered arrays of fibres which link attachment areas on the tibia and femur. Fibres slacken and tighten as the ligament attachment areas on the bones rotate and translate relative to each other. A four-bar linkage, composed of the femur, tibia and selected isometric fibres of the two cruciates, was used to determine the motion of the femur relative to the tibia during passive (unloaded) movement. Fibres were assumed to slacken in a Euler buckling mode when the distances between their attachments are less than chosen reference lengths. The ligament shape changes and buckling patterns are demonstrated with computer graphics. When the tibia is translated anteriorly or posteriorly relative to the femur by muscle forces and external loads, some ligament fibres tighten and are recruited progressively to transmit increasing shear forces. The shape changes and fibre recruitment patterns predicted by the model compare well qualitatively with experimental results reported in the literature. The computer graphics approach provides insight into the micro behaviour of the knee ligaments. It may help to explain ligament injury mechanisms and provide useful information to guide the design of ligament replacements.
Computer Graphics↗
Slide presentation graphics using a personal computer. A comparative evaluation of available software.
Most of the available methods for preparing professional slides to be used in oral presentations can be cumbersome, time-consuming, and expensive. Creating high-quality 35-mm slides may require the use of expensive medical illustrators and photographic equipment not available to all physicians. More recently, technology has emerged that permits professional in-office generation of quality slides using commercially available computer graphics software and film recorders. Such a system is simple to establish and maintain when compared with commercial slide production facilities. We will review the hardware requirements of such a system, as well as the advantages and disadvantages of several commercially available software packages. Using a personal computer-based slide-making system, any physician communicating with small or large groups of people can now produce professional-looking slides easily, rapidly, and inexpensively.
Audiovisual Aids↗
Graphics computer-aided receptor mapping as a predictive tool for drug design: development of potent, selective, and stereospecific ligands for the 5-HT1A receptor.
A conformational study of four 5-HT1A (serotonin) receptor ligands ((R-(-)-methiothepin, spiperone, (S)-(-)-propranolol, and buspirone) led to the definition of a pharmacophore and a three-dimensional map of the 5-HT1A antagonist recognition site. These models were used to design new compounds and successfully predict their potency, stereospecificity, and selectivity. For example, 8-[4-[(1,4-benzodioxan-2-ylmethyl)amino] butyl]-8-azaspiro[4.5]decane-7,9-dione (1, MDL 72832) has nanomolar affinity (pIC50 = 9.14) for the 5-HT1A binding site in rat frontal cortex. As predicted, the S-(-) enantiomer of 1 was more active than its R-(+) enantiomer (pIC50 = 9.21 and 7.66, respectively) and a naphthalene analogue of 1 displayed the expected improved selectivity.
Animals↗
A medical college service for computer-generated graphics with DIY aspects.
This paper describes the setting-up and management of a computer graphics service, mainly for producing 2 x 2 inch projection slides, by a department of medical illustration within a medical school. The service has been arranged to provide a limited facility for composing original illustrations by computer and to encourage medical and scientific staff to compose their own illustrations. These are recorded on magnetic disc for review and possible adjustment by medical illustrators. Images are then output as slides or paper prints by the medical illustration department. The range of equipment and apparatus used is described and evaluated briefly. Also described are the effects of the introduction of a computer-generated graphics service on the general work of non-patient slide production in the department.
Computer Graphics↗
Strain tensor field in proteins.
The tensor fields of pressure strain imposed on protein molecules have been visualized by computer graphics and computational geometry. The pressure-induced deformations of lysozyme and myoglobin were analyzed by the present method, which regards each molecule as a patchwork of microscopic continuous bodies of Delaunay tetrahedra. The strain tensor describes the deformation of each tetrahedron. The illustrated deformations turned out to be complex and inhomogeneous ones in which local expansions and contractions concomitantly occurred. Not only the pressure deformation but also any other type of moderate deformation can be analyzed by this method.
Computer Graphics↗
Electron transport in sulfate-reducing bacteria. Molecular modeling and NMR studies of the rubredoxin--tetraheme-cytochrome-c3 complex.
A hypothetical model of the complex formed between the iron-sulfur protein rubredoxin and the tetraheme cytochrome c3 from the sulfate-reducing bacteria Desulfovibrio vulgaris (Hildenborough) has been proposed utilizing computer graphic modeling, computational methods and NMR spectroscopy. The proposed complex appears feasible on the basis of complementary electrostatic interaction and steric factors and is consistent with the data from NMR experiments. In this model, the non-heme iron atom of rubredoxin is in close proximity to heme 1 of cytochrome c3. The complex is stabilized by charge-pair interactions and hydrogen bonds. This complex is compared to the flavodoxin-cytochrome c3 complex previously proposed [Stewart, D. E., LeGall, J., Moura, I., Moura, J. J. G., Peck, H. D. Jr, Xavier, A. V., Weiner, P. K. & Wampler, J. E. (1988) Biochemistry 27, 2444-2450] and new NMR data shows that both proteins interact with the same heme group of the cytochrome as postulated.
Binding Sites↗
Simulated learning environments in anatomy and surgery delivered via the next generation internet.
The Next Generation Internet (NGI) will provide high bandwidth, guaranteed Quality of Service, collaboration and security, features that are not available in today's Internet. Applications that take advantage of these features will need to build them into their pedagogic requirements. We present the Anatomy Workbench and the Surgery Workbench, two applications that require most of these features of the NGI. We used pedagogic need and NGI features to define a set of applications that would be difficult to operate on the current Internet, and that would require the features of the NGI. These applications require rich graphics and visualization, and extensive haptic interaction with biomechanical models that represent bony and soft tissue. We are in the process of implementing these applications, and some examples are presented here. An additional feature that we required was that the applications be scalable such that they could run on either on a low-end desktop device with minimal manipulation tools or on a fully outfitted high-end graphic computer with a realistic set of surgical tools. The Anatomy and Surgery Workbenches will be used to test the features of the NGI, and to show the importance of these new features for innovative educational applications.
Anatomy↗
Computer applications in orthopaedics.
With the rapid developments in microprocessors, the widespread availability of computers has brought about broad applications in the field of orthopaedics. The present technology enables large quantities of data to be logically processed in a very short span of time. This has led to the development of information management database systems where relevant medical information may be retrieved very quickly and effectively. The analytical power of the computer has also been utilised in expert systems to assist in clinical-decision making process. Computer graphics have revolutionised the visualisation of physical features of internal and external body parts, providing new and improved modalities of diagnosis. In some centres, surgical planning and rehearsals are already being carried out at the computer terminal with the use of animation and computer graphics. Computer technology has also played an active role in the field of prosthetics and rehabilitation. Intelligent robotic systems and microprocessor with functional neuromuscular stimulation have been applied to benefit, and in some cases restore some motor functions to the physically disabled. With more collaboration between engineers, scientists and the medical community, several prototypes of computer-controlled prostheses and prosthesis designed and manufactured by Computer-Aided Design/Computer-Aided Manufacturing (CAD/CAM) technology are available today to assist the amputees in their daily living and ambulatory activities.
Computer Graphics↗
Virtual reality arthroscopy training simulator.
This paper describes the result of the interdisciplinary cooperation of traumatologists of the Berufsgenossenschaftliche Unfallklinik (BGU) in Frankfurt am Main and a team of computer graphics scientists of the Franunhofer Institute for Computer Graphics in Darmstadt. We have developed a highly interactive training simulator system by means of computer graphics and virtual reality techniques.
Arthroscopy↗
Graphical representations of the class I MHC cleft.
We describe computer graphics and computer aided manufacture of three-dimensional models designed specifically to elucidate the cleft in the class I human leukocyte antigen. The models evolve from computer graphical representations and provide a geometrically and chemically concise and detailed view of the antigen binding site. The techniques provide a new approach to representations of binding sites. The model provides sufficient detail to support binding specificities analysis of active sites involved in protein and DNA binding.
Binding Sites↗
Radioimmunoassay data handling and calculations with a graphics-statistics computer program.
This paper discusses the application of the data handling-graphics-statistics program Stata (Computing Resources Center, Santa Monica, CA) to radioimmunoassay. We have found that this program is more powerful and easier to use than a spreadsheet for analyzing various kinds of laboratory data generated from chromatography, radiolabeling experiments, enzyme-linked immunosorbent assays, and radioimmunoassays, to name several examples. Data from a radioimmunoassay procedure, originally analyzed using a spreadsheet, Lotus 1-2-3, have been processed with Stata. Simple programs (batch files) have been devised for computations and graphics. The original data and a comparison of results are presented.
Radioimmunoassay↗