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PubMedDate not supplied

Pediatric parenteral nutrition management using a comprehensive user-friendly computer program designed for personal computers.

The use of parenteral nutrition is becoming more widespread. The need for individualized parenteral nutrition solutions in pediatric patients makes the ordering and preparation of these solutions more complex and error-prone. A computer program is described which performs comprehensive management of parenteral nutrition by assisting in accurately ordering and preparing parenteral nutrition solutions. It also performs extensive error-checking and provides additional nutritional information. Data base management is also a feature which permits future large scale analysis of parenteral nutrition data for research purposes. This program, designed to run on a personal computer, is very comprehensive, yet flexible and user-friendly.

Adolescent↗
PubMed2006

Laser imaging and computer-aided design and computer-aided manufacture in prosthetics and orthotics.

Although Hanger Orthopedic Group, Inc., has been developing clinical protocols for its INSIGNIA scanner for more than 2 years, there are many applications that are currently in development and will be released over the next 2-year period after this publication. It is the goal of Hanger Orthopedic Group, Inc., to replace all plaster casting procedures with the laser scan and move toward a paperless environment where all images and documents are passed through its virtual network. INSIGNIA currently has five major production centers throughout the United States, which support more than 600 INSIGNIA certified clinicians. These clinicians staff more than 600 clinics in North America, all under the Hanger company name. The central fabrication service and the central design center processes hundreds of shapes per day (Fig. 27). So that any clinician in the field can use the expertise of the central designers and central fabricators to help with overflow or problems they might be having, the network that exists within Hanger is tied together and enhanced by INSIGNIA. Through virtual modification and centralization of these services, each patient receives the virtual collaboration of several clinicians with a total of years of experience. INSIGNIA has enhanced the patient experience. The enhancement is not only in removing the plaster from the process, but also in exposing each patient to the team of prosthetic experts working collaboratively behind the scenes. The rehabilitation industry continues to be bombarded with compliance paperwork and justifications. The INSIGNIA scan and resulting measurement reports give inherent strength to justifications based on volume change, surgical revisions, or tissue change. The files are kept in a data warehouse where they are vaulted and preserved presumably forever. Also, any of the shape graphics or measurement instruments can be printed into a discrete report that can become part of the patient's permanent record. Many physicians receive update letters from their orthotic and prosthetic clinician with a status update before and after treatment of their patient. This update includes a descriptive narrative, a printout of the pertinent metrics, a printout of the scan graphic, and often a digital image of the patient wearing the device (Fig. 28). The network is HIPAA compliant, and all private health information is held in tight security. If a practitioner does not have a HIPAA agreement in place with Hanger Orthopedic Group, Inc., and would like one, or ifa practitioner would like to have an INSIGNIA representative call or visit with more information, the practitioner is encouraged to call 1-800-4-HANGER and request an INSIGNIA in-service or visit INSIGNIA on the web at www.hanger.com.

Adult↗
PubMed1991

Technical evaluation of a CAD system for orthopaedic shoe-upper design.

Computer aided design is now employed routinely in the volume shoe trade. New styles are developed on a three-dimensional image of the last followed by automated pattern generation and engineering. It is suggested that such systems could be useful in the orthopaedic footwear industry although the different requirements for these bespoke products need careful consideration. A clinical trial has been conducted on the Shoemaster (Clarks Shoes) upper design system both to assess its technical capabilities and to consider its role in improvement of service and cosmetic appearance. This particular system works throughout on a three-dimensional representation of the shoe last, which offers particular advantages for integration with shape capture and reproduction. The report concentrates on the technical evaluation to assess (a) its ability to work with unusual last shapes dictated by medical requirements and (b) its potential for integration into a complete computer system for design of both shoe lasts and shoe uppers. The trial indicates that this particular system is promising in both respects.

Adult↗
PubMed2005

Virtual-designed and computer-milled implant abutments.

Computer-designed and -generated implant abutments will fundamentally change the present restorative protocols for implant dentistry. Standard implant prosthetic techniques rely on implant level impressions and costly casting technology for component fabrication. Many dentists are uncomfortable making implant level impressions and resort to time-consuming conventional techniques of intraoral abutment preparation or do not offer implants as a treatment alternative. Implant abutments generated by computer-aided design and computer-aided manufacturing (CAD/CAM) are more precise than those created using traditional casting technology. This increased accuracy has specific application to implant dentistry, where precision of components may affect implant longevity, prosthetic success, and ease of restoration. Three current CAD/CAM implant abutment systems are reviewed, including an innovative digital system which eliminates the need to make implant level impressions. After placing an encoded healing abutment, an impression is made at the healing abutment level. The resulting cast is optically scanned and, using a CAD/CAM system, a patient specific definitive abutment is created. The encoded healing abutment is not removed until delivery of the abutment and final prosthesis. The ease and precision of making implant impressions at the healing abutment level, followed by patient-specific computer-generated abutments presents several benefits: restorative dentists rely less on conventional dental techniques to restore implants, inaccuracies of casting technology are virtually eliminated, laboratory technicians are freed to concentrate on higher level activities, and ultimately dentists are more likely to embrace implants as a preferred treatment option for their patients. This cutting edge technology of computer-assisted implant impressions and computer-generated abutments will likely replace traditional implant restorative protocols and become the standard for implant dentistry in the foreseeable future.

Computer-Aided Design↗
PubMed2001

Quantified kinematics of the injury to the posterior cruciate ligament: a computer-aided design simulation study.

OBJECTIVE: To quantify the kinematics of the injury to the posterior cruciate and the other major knee ligaments as a function of the knee flexion angle at the moment of impact. DESIGN: Computer-aided design modelling was used to investigate the strain response of all major knee ligaments during antero-posterior abnormal tibio-femoral translation at 0-90 degrees knee flexion. BACKGROUND: It is generally believed that the likelihood of injury to the posterior cruciate ligament following anterior impact is higher in the flexed knee. However, there are no kinematical studies to quantify this clinical observation or investigate the role of the other knee ligaments in the above situation. METHODS: Computer calculations of the individual ligament strain were plotted against the magnitude of posterior tibial translation. Additionally, the strain rate for each ligament (defined as the ligament strain produced per mm of posterior tibial linear translation) was calculated as the slope of the strain-displacement curve for all tested degrees of knee flexion. RESULTS: The posterior cruciate ligament has been shown to be the primary restraint to posterior tibial translation in all degrees of knee flexion. However, at 90 degrees of knee flexion the strain rate of the posterior cruciate ligament is approximately half that in the fully extended knee and the posterior cruciate ligament is the only ligament to resist posterior tibial translation. CONCLUSIONS: The strain behaviour of the posterior cruciate ligament during injury is highly dependent on the knee flexion during the moment of impact. Forced posterior tibial translation in the 90 degrees flexed knee may result in isolated posterior cruciate ligament deficit rather than a complex ligament disruption. The strain rate of a ligament as introduced in the present study is a quantified parameter related to the resistance that the ligament imposes to an abnormal joint movement. Relevance. This study provides insight into the differential strain of the knee ligaments during impacts that result in posterior cruciate ligament injury. Studies that quantify the strain behaviour of individual knee ligaments are important to the understanding, diagnosis and prevention of injuries sustained during contact sports and high-energy road traffic accidents.

Biomechanical Phenomena↗
PubMed2004

Exploring folding free energy landscapes using computational protein design.

Recent advances in computational protein design have allowed exciting new insights into the sequence dependence of protein folding free energy landscapes. Whereas most previous studies have examined the sequence dependence of protein stability and folding kinetics by characterizing naturally occurring proteins and variants of these proteins that contain a small number of mutations, it is now possible to generate and characterize computationally designed proteins that differ significantly from naturally occurring proteins in sequence and/or structure. These computer-generated proteins provide insights into the determinants of protein structure, stability and folding, and make it possible to disentangle the properties of proteins that are the consequence of natural selection from those that reflect the fundamental physical chemistry of polypeptide chains.

Computational Biology↗
PubMed2003

Blood compatible design of a pulsatile blood pump using computational fluid dynamics and computer-aided design and manufacturing technology.

Thrombus formation is a critical issue when designing a long-term implantable left ventricular assist system (LVAS). Fluid dynamic characteristics of blood flow are one of the main factors that cause thrombus formation. In this study, we optimized the fluid dynamics of a sac blood pump in our LVAS to ensure minimization of shear-related blood damage that could lead to thrombus formation. A pump housing and a sac chamber were designed with computer-aided design (CAD) software, and fluid dynamics were estimated by computational fluid dynamic (CFD) analysis. We adopted distribution of CFD results for qualitative evaluation, and we also tried to estimate normalized index of hemolysis (NIH) from the results of CFD analysis as a quantitative index of optimization for geometry of the blood pump chamber. A prototype model of the optimized blood pump was made using a three-axis computer machine tool by whittling pieces of nonfoamed polyurethane. Shear stress and theoretical NIH in the redesigned model were lower than those in the first model. Area of flow stagnation that was observed in the first model was not seen in the redesigned model. The results demonstrate that application of CAD/CAM technology to design an artificial heart contributes to optimizing a blood pump chamber for the purpose of reducing thrombus formation.

Biomedical Technology↗
PubMed1986

Anatomical modeling with computer-aided design.

Many industrial computer aided design (CAD) programs contain highly developed facilities that can be used to create and analyze three dimensional models of biological structures. In this paper we describe the use of one such program package for modeling the rat brain and a component thereof. Special features of the models of interest to morphologists are illustrated.

Animals↗
PubMed2003

Disulfide by Design: a computational method for the rational design of disulfide bonds in proteins.

SUMMARY: Disulfide by Design is a program for the design of novel disulfide bonds in proteins. Protein structure files in PDB format are analyzed to identify residue pairs that are likely to form a disulfide bond if the respective amino acids are mutated to cysteines. The output displays residue pairs having the appropriate geometric characteristics for disulfide formation and provides automated generation of modified PDB files including modeled disulfides. Validation demonstrates a high level of accuracy for the algorithm. AVAILABILITY: http://www.ehscenter.org/dbd/ SUPPLEMENTARY INFORMATION: http://www.ehscenter.org/dbd/

Algorithms↗
PubMed2001

Computational protein design.

The field of computational protein design is reaching its adolescence. Protein design algorithms have been applied to design or engineer proteins that fold, fold faster, catalyze, catalyze faster, signal, and adopt preferred conformational states. Further developments of scoring functions, sampling strategies, and optimization methods will expand the range of applicability of computational protein design to larger and more varied systems, with greater incidence of success. Developments in this field are beginning to have significant impact on biotechnology and chemical biology.

Amino Acid Sequence↗
PubMed1998

Advances in cubicle design using computational fluid dynamics as a design tool.

As part of a recent animal facility refurbishment, a cubicle containment system was designed to increase the amount of experimental space and also provide containment facilities to support the holding and use of specialized animal models. In order to achieve this, a series of computational fluid dynamic (CFD) studies was undertaken to evaluate the effects of different airflows and in order to optimize ventilation, a variety of exhaust/supply arrangements and animal loads was employed. These studies showed that air delivered via two, opposed, low level ducts, at a rate of 20 air changes per hour and exhausted high in the cubicle above the rack, was the optimal configuration resulting in minimal turbulence, stagnation and entrainment.

Air Movements↗
PubMed2004

A novel hIL-6 antagonist peptide from computer-aided design contributes to suppression of apoptosis in M1 cells.

Based on the complex crystal structure of human interleukin-6 (hIL-6) and its receptor (hIL-6R), a novel hIL-6 antagonist peptide (named PT) was designed using computer-guided design method. Dealing with molecular docking and molecular dynamics methods, the interaction between PT and hIL-6R was analyzed. The theoretical studies showed that PT possessed very high affinity to hIL-6R and offered a practical means of imposing long-term blockade of hIL-6 activity in vivo. This effect was examined due to growth arrest and apoptosis induced by hIL-6 in myeloblastic cell line M1 cells in a dose-dependent manner. The findings demonstrate that PT could also act as an excellent antagonist candidate for the induction of growth arrest and apoptosis. Furthermore, murine M1 myeloid cell line, which was induced by the physiological inducer hIL-6 to undergo apoptosis and growth arrest, could be used as a subtle model system to test hIL-6 antagonist.

Animals↗
PubMed1990

An evaluation of computer aided design of below-knee prosthetic sockets.

Forty-eight below-knee amputees compared sockets designed using CANFIT computer aided design (CAD) software with sockets designed using conventional methods. Each subject was fitted by one prosthetist who used conventional techniques and one who used the CANFIT system to design the socket. Prosthetists alternated design methods for each new subject. The prosthetist using the conventional techniques was allowed up to 2 design attempts and the prosthetist using the CANFIT system was allowed up to 5 design attempts. After 2 design attempts with each method 21% of the subjects preferred the CANFIT design socket. Following up to 5 attempts 54% preferred the CANFIT designed socket. A jury of experts made an assessment of the CANFIT system and of CAD in prosthetics. The jury did not think that the version of the system tested was cost effective but that at the rate that it was improving it would become such within 3 to 5 years. The jury noted that, as well as monetary benefits, CAD presents the possibility of benefits in other areas such as research and teaching. A number of specific suggestions regarding the use and development of CAD in prosthetics were also made.

Artificial Limbs↗
PubMed1996

Neglected congenital dislocation of the hip. Role of computed tomography and computer-aided design for total hip arthroplasty.

Computed tomography (CT) provides important three-dimensional anatomic details in congenital dislocation of the hip that are useful for total hip arthroplasty (THR) and are not obtainable with conventional radiographic evaluation. In this study, 84 patients (119 hips) with congenital dislocation of the hip were evaluated with CT before surgery. Specifically, both the acetabulum and the femur were analyzed to make the best selection of the prosthesis. The average anteversion of the acetabulum was 23 degrees, with an opening of 30.9 mm and a depth of 14.7 mm. The bone stock of the true acetabulum was calculated and the average available diameter for the acetabular implant was 44.9 mm. The CT topogram revealed the true leg-length discrepancy (average 0.5-1.9 cm), and the amount of a shortening osteotomy when necessary was determined. Finally, to determine the stem with optimum fit and fill, a three-dimensional reconstruction of the femoral canal using CT data and computer-aided design (CAD) was matched with a three-dimensional geometry of several stem designs and sizes obtained from a CAD system.

Computer-Aided Design↗
PubMed2001

Computer-assisted re-design of spectrin SH3 residue clusters.

We have developed a protein design computer program, called Perla, which performs searches in sequence space to uncover optimal amino acid sequences for desired protein three-dimensional structures. Optimal sequences are localised at the minima of a sequence-structure energy landscape defined using a complex scoring function (an all-atom molecular mechanics force field plus statistical terms including entropy and solvation) measured with respect to a reference state simulating a denatured protein. Sequence choices eventually optimise side chain packing, secondary structure propensities, and hydrogen bonding and electrostatics interactions. Perla was used to re-design clusters of residues of the SH3 domain of alpha-spectrin. Several mutant proteins were produced and characterised. Some of our designed proteins have significantly higher stabilities (stability enhancements about 0.25, 0.70 and 1.0 kcal mol(-1)) than the wild-type protein. These successful protein re-designs, and similar examples found in the literature, establish the quality of the structure-based computational approach to protein design.

Algorithms↗
PubMed1997

[A computer-aided design assessment system for recovery life support technology options].

A specific computer-aided decision support system was designed and implemented for design computation and decision assessment of environmental control and life support system of manned space station. An advanced multiobjective decision methodology and a hierarchic structure model of assessment index of recovery life support system was developed. The program incorporates a database for each technology option, metabolic design loads associated with crew activity, mission model variables to accommodate evolving mission requirements, and algorithms to produce products criteria in order to provide recommendations relative to candidate technology selection and development. A specific structure was developed for the decision system which consists of a database, a methodology base and a model base as well as their management systems. Moreover, a centre control system with friendly user interface plays a very important role in the man-computer interaction.

Computer-Aided Design↗
PubMed1998

Computer-Aided Design of Thrombin Inhibitors.

Computer-aided ligand design is an active, challenging, and multidisciplinary research field that blends knowledge of biochemistry, physics, and computer sciences. Whenever it is possible to experimentally determine or to model the three-dimensional structure of a pharmacologically relevant enzyme or receptor, computational approaches can be used to design specific high-affinity ligands. This article describes methods, applications, and perspectives of computer-assisted ligand design.

Journal Article↗
PubMed1999

Computational ligand design.

A variety of computational tools that are used to assist drug design are reviewed. Particular emphasis is given to the limitations and merits of different methodologies. Recently, a number of general methods have been proposed for clustering compounds in classes of drug-like and non-drug-like molecules. The usefulness of this classification for drug design is discussed. The estimation of (relative) binding affinities is from a theoretical point of view the most challenging part of ligand design. We review three methods for the estimation of binding energies. Firstly, quantitative structure-activity relationships (QSAR) are presented. These have gained significantly from recent developments of experimental techniques for combinatorial synthesis and high-throughput screening as well as the use of powerful computational procedures like genetic algorithms and neural networks for the derivation of models. Secondly, empirical energy functions are shown to lead to more general models than standard QSAR, since they are fitted to a variety of complexes. They have been used recently with considerable success. Thirdly, we briefly outline free energy calculations based on molecular dynamics simulations, the method with the most sound theoretical foundation. Recent developments are reestablishing the interest in this approach. In the last part of this review structure-based ligand design programs are described. These are closely related to docking, with the difference that in design, unlike in most docking procedures, ligands are built on a fragment-by-fragment basis. Finally, a short description of our approach to computational combinatorial ligand design is given.

Drug Design↗