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HAMOG: molecular graphics program for chemistry, biochemistry, molecular biology and enzyme research.

HAMOG is a computer graphics program written in C for personal computers. Clear menus and a context-sensitive help option make the program easy to operate for occasional users. HAMOG provides a flexible environment for displaying and manipulating molecules and molecular systems. Special functions allow the investigation of structure-activity relationships of biologically active molecules. These include the calculation of molecular electrostatic potentials and fields, the superposition of molecules and the calculation of steric accessibilities. The visualization and manipulation of protein structures immediately readable from the Brookhaven Protein Data Bank files are also possible using HAMOG. The construction of any peptide or protein structure is very simple.

Chemical Phenomena

Computer- and robot-assisted resection of thalamic astrocytomas in children.

Six children ranging in age from 2 to 10 years who harbored deep benign astrocytomas were operated upon using a computer- and robot-assisted system. A radical excision was achieved in all cases with no significant morbidity nor any mortality. The system consists of an interactive, three-dimensional display of computed tomographic image contours and digitized cerebral angiograms taken using the Brown-Roberts-Wells stereotactic frame. The surgical retractor is held and manipulated using a PUMA 200 robot. The position and orientation of the surgical retractor is displayed on the three-dimensional display. Preoperative planning and simulation are important features of this system. Movement of the brain after removal of the tumor and cerebrospinal fluid is substantial, so the tumor removal is based on visually defined margins. Enhanced computer graphics and robotic devices are important adjuncts to neurosurgical procedures and will find increasing use in the future.

Astrocytoma

Motor end-plate distribution in the human interarytenoid muscle.

Histochemical and computer graphic techniques were used to determine the distribution of neuromuscular junctions in the human interarytenoid (IA) muscle. The motor end-plates of four IA specimens obtained from normal postmortem larynges were visualized using an acetylcholinesterase stain. The three-dimensional distribution of motor end-plates was later reconstructed using computer graphics. The motor end-plates in the IA were found to be distributed in an inverted "Y" configuration. A broad band of end-plates was found at the midpoint of the muscle fibers in the superior and middle aspect of the muscle. This band divided obliquely in a lateral direction toward the inferior border of the muscle. This pattern of motor end-plate distribution is possibly consistent with the bilateral innervation of the IA by the recurrent laryngeal nerves.

Adult

On the development of an integrated computer system for cephalometric analyses.

This paper describes a microcomputer based system that integrates image processing and computer graphics techniques to automate the data extraction and storage process in cephalometric analyses. The system increases the consistency of measurements and improves the productivity of surgical and dental staff.

Cephalometry

Automated data collection and processing for a cycle ergometer.

A system is described for collection and processing of data from a cycle ergometer. Cycle pedals, specially made to withstand the extremely high forces exerted during maximal power cycling, contain transducers to measure pedal angle relative to the crank and foot forces both perpendicular and parallel to the pedal surface. An additional transducer monitors crank position. Output signals are conditioned, amplified, digitized by a 12-bit analog-to-digital converter, fed into a computer at 100 Hz/channel, and mathematically smoothed to attenuate noise. For each sample interval, foot force components perpendicular and parallel to the crank arm are calculated. Power generated on each crank revolution is determined from transducer information. Computer graphics display pedaling parameters vs. crank angle in both rectangular and circular format. Data files containing variables descriptive of pedaling force curves are produced to enable computerized statistical analysis of cycling performance.

Computer Graphics

Three-dimensional computer reconstruction of the distribution of neuromuscular junctions in the thyroarytenoid muscle.

Microinjections of botulinum toxin have recently been shown to be effective in the treatment of strabismus, and it has also been suggested that microinjections of this myoneural blocking agent might be of value in the treatment of spastic dysphonia. The success of such a microinjection technique would rely on a precise knowledge of the distribution of myoneural junctions in the thyroarytenoid muscle. In view of this potential application as well as the need for such information in reinnervation procedures, we have used computer graphics to reconstruct the three-dimensional distribution of motor end-plates in the thyroarytenoid muscle. Three cat and one human (fresh autopsy specimen) larynges were frozen and sectioned on a cryostat. Serial sections were then processed for the histochemical localization of acetylcholinesterase activity to demarcate the neuromuscular junctions. An X-Y digitizer was used to reference the position of the motor end-plates in each serial section, and the three-dimensional distribution of the neuromuscular junctions was reconstructed on a computer graphics terminal. The results are discussed in regard to their applicability to clinical treatment of spastic dysphonia and other disorders of phonation.

Animals

Quantitative changes in fissure sealant six months after placement.

Earlier studies have reported extensive volumetric loss of fissure sealant shortly after placement. To determine the volume of fissure sealant lost at six months, we used a servohydraulic profilometric apparatus in combination with computer graphics. Twenty-two premolar teeth were selected, and baseline silicone impressions were made of each tooth. The teeth were sealed and the occlusion adjusted where necessary. Impressions were made immediately of sealed teeth and again at six months. Epoxy replicas were made from all impressions, and their surfaces digitized by sequential profilometry. Using a three-dimensional root mean square (RMS) goodness-of-fit computer program, before sealant, after sealant, and six months after sealant computer-graphic images were superimposed. The volume of sealant lost after six months for all premolar teeth was X = 0.23 mm3 (maxillary second premolar: N = 9, X = 0.29 mm3; maxillary first premolar: N = 5, X = 0.27 mm3; mandibular second premolar: N = 4, X = 0.20 mm3; mandibular first premolar: N = 4, X = 0.08 mm3). The volume differences between tooth groups were not significant as measured by analysis of variance (ANOVA). These volumes represented a 13.99% loss of applied sealant for all premolars (maxillary second premolar: 19.72%; maxillary first premolar: 15.37%; mandibular second premolar: 8.46%; mandibular first premolar: 6.37%). The area of wear and the depth of wear also were measured.

Humans

Visualization of dynamic simulations of muscle thin filaments.

Following a novel computational formalism, the thin filament of muscle can be modeled by a computational machine containing a large number of finite automata that have one-to-one correspondence with the constituent protein molecules. Computer graphics can be used to visualize the correspondence between the states of finite automata and the configurations of protein molecules according to the structural data. The dynamic simulation of the muscle filament that corresponds to the concurrent state transitions of finite automata can be represented as a sequence of video images. The kinetic and structural knowledge of individual protein molecules is, therefore, integrated into a coherent and functional system. This type of computation and visualization can also be useful for the investigation of molecular structure, function, and interaction in various complex biological systems.

Actin Cytoskeleton

Towards 3-D modelling of epithelia by computer simulation.

The present work is a preliminary step towards dynamic 3-D modelling by computer graphics simulation of the structure of normal and pathological epithelia, using an expert system. In its present state, Esexsy (Epithelium Simulation by EXpert SYstem) allows the construction, through iterative steps, of a simple 3-D representation of the nasal epithelium, based on the positions, sizes and shapes of nuclei. The iterative process is based on statistical comparisons between distributions of parameter values calculated from real (2-D) histological sections and those issued from an equivalent computer 'section' through the simulated 3-D image. We show the results of attempts at simulating normal, metaplastic and dysplastic states of the nasal epithelium, the latter two being characterized by a progressive architectural disorganization, accompanied by nuclear size/shape alterations. The representation takes into account the size, shape, orientation and spatial arrangement of nuclei, with one or several layers from the basal lamina to the lumen. A modified Poisson point process is used at present to position the nuclei, which are modelled by bi-axial spheroids (from prolate to oblate through spherical), with random orientation and size/shape deviations. It should be possible to use the same computer program to simulate other types of epithelia and to achieve increasingly realistic representations by incorporating, notably, nuclear deformations and chromatin texture.

Computer Graphics

Three-dimensional surface reconstruction software system for IBM personal computers.

Surface and volumetric three-dimensional imaging methods have found application in fields as diverse as diagnostic medical imaging and paleontological research. The acquisition, modeling, classification, and computer graphics rendering of discrete image volumes will be introduced. Applications in diagnosis (craniofacial, orthopedic, cardiovascular, and others) as well as reconstruction methods for generic serial sections will be described. C language software for three-dimensional reconstruction which operates on an IBM PC/AT clone is described.

Animals

Multimodality image display: desirable frame buffer characteristics.

The intent of this paper is to understand the characteristics of those frame buffers currently used to display images, versus more ideal frame buffers for medical image display purposes. This study is based on current needs and what characteristics might be desirable. Two case examples are presented: (1) a system developed for high quality computer graphics and (2) a system developed for nuclear medicine and radiation therapy treatment planning. Our study considers: (1) defining a pixel depth sufficient to hold data, (2) the desirability of multiple color look-up tables, (3) how cine loops are managed, and (4) display memory size.

Computer Graphics

Computer prediction of possible toxic action from chemical structure; the DEREK system.

1. The development of DEREK, a computer-based expert system (derived from the LHASA chemical synthesis design program) for the qualitative prediction of possible toxic action of compounds on the basis of their chemical structure is described. 2. The system is able to perceive chemical sub-structures within molecules and relate these to a rulebase linking the sub-structures with likely types of toxicity. 3. Structures can be drawn in directly at a computer graphics terminal or retrieved automatically from a suitable in-house database. 4. The system is intended to aid the selection of compounds based on toxicological considerations, or separately to indicate specific toxicological properties to be tested for early in the evaluation of a compound, so saving time, money and some laboratory animals and resources.

Animals

Volumetric 3-D imaging of computerized tomography scans.

Contiguous transaxial high resolution CT scans of more than 100 patients with craniofacial deformities and orthopedic disorders were obtained. The CT scan examinations were used diagnostically in determining the need for surgery and for planning therapy. The serial section data was reconstructed in a three-dimensional form with surface and transparent volumetric computer graphics processing techniques. Real time sequences showing the presence of internal abnormalities in these patients were produced and recorded on video tape. This study demonstrates the feasibility and technical requirements of three-dimensional volumetric visualization for diagnostic evaluation of patients with craniofacial and orthopedic disorders.

Adult

Cardiology education using hypermedia and digital imagery.

A computer-based educational system for the study of cardiovascular imaging is described. This system, based on HyperCard * and a standard Macintosh II, integrates hypertext retrieval, computer graphics, sound, and medical images into a single interactive environment stored on a standard hard disk. This 'hypermedia' approach allows arbitrary complexity coupled with direct, immediate, easy traversal of the images and related text, which provides the opportunity for students to move at their own pace, choose their own direction through the material and repeat as often as desired. Storage on magnetic medium allows for easy updating with new studies and material in order to keep pace with advances in medical imaging technology. The system could be mastered onto CD-ROM for ease of distribution if so desired. The system includes a tutorial on the basics of digital image representation and example studies from cineangiography, nuclear medicine, echocardiography and magnetic resonance imaging of the heart. Quantitative techniques for evaluation of left ventricular function are explained using computer graphics overlays on the original medical images. Color encoded functional images are also included as an aid to visualization of ventricular performance data. The system has proven useful as a primer for digital imaging in cardiology prior to specific case study in a traditional mentor relationship.

CD-ROM

Computer-aided human modelling programs for workstation design.

In designing a workstation, computer-aided human modelling programs can be used advantageously to analyse human-fit to the workstation components. The analysis is performed within a three-dimensional computer graphics environment. To illustrate the current state of development, six representative programs were selected: CYBERMAN, COMBIMAN, CREW CHIEF, JACK, SAMMIE, and MANNEQUIN. The programs differ considerably in terms of system requirement, operating characteristics, applicability and the various ergonomic evaluation functions available in the human modelling programs. The comparative analysis of the programs will aid the user to select the appropriate program for a particular workstation design.

Anthropometry

Three-dimensional visualization of computerized tomography and laser scan data for the simulation of maxillo-facial surgery.

A system has been developed for the three-dimensional (3D) visualization of the face and skull using data obtained from a purpose-built no-contact laser scanning system and from a series of scans produced by X-ray computerized tomography. Features developed allow the simulation, planning and prediction of maxillo-facial surgery. Realistic skeletal and facial images with a solid 3D appearance are produced from these two datasets using computer graphics techniques. The images can be sectioned for diagnostic purposes or parts can be repositioned for the simulation of surgery. 3D measurements can be made on the images for pre- and post-surgical analysis. An example of the clinical use of the system in the planning of surgery and the prediction of post-surgical facial appearance is given.

Computer Graphics

Long-term arterial pressure control: an analysis from animal experiments and computer and graphic models.

Long-term arterial pressure control is very different from acute control, because many of the acute control systems are overridden by a single long-term mechanism that has little to do with short-term control. This is the renal fluid volume mechanism for pressure control. It is based on a simple functional property of the kidney: as the arterial pressure rises, the kidney output of water and electrolytes increases dramatically. When the output rises above the net intake of water and electrolytes, negative body fluid balance occurs, causing both the body fluid volume and the pressure to decrease. This decrease continues until the kidney fluid output exactly balances the net fluid intake. Conversely, if the pressure falls below the exact level for balance, intake becomes greater than output; then fluid builds up in the body and the pressure rises until intake and output again exactly balance each other. This fluid mechanism for pressure control has been known from the beginning of blood pressure research. However, its overpowering importance was not appreciated until a mathematical computer analysis in 1966 demonstrated the renal-fluid feedback mechanism to have infinite feedback gain for long-term pressure control. This is the principal topic of the present review.

Animals