Computer Aided Enzyme Design and Catalytic Concepts
Frushicheva, Maria P.; Mills, Matthew J. L.; Schopf, Patrick; Singh, Manoj K.; Warshel, Arieh
2014-01-01
Gaining a deeper understanding of enzyme catalysis is of great practical and fundamental importance. Over the years it has become clear that despite advances made in experimental mutational studies, a quantitative understanding of enzyme catalysis will not be possible without the use of computer modeling approaches. While we believe that electrostatic preorganization is by far the most important catalytic factor, convincing the wider scientific community of this may require the demonstration of effective rational enzyme design. Here we make the point that the main current advances in enzyme design are basically advances in directed evolution and that computer aided enzyme design must involve approaches that can reproduce catalysis in well-defined test cases. Such an approach is provided by the empirical valence bond method. PMID:24814389
Pai, Priyadarshini P; Mondal, Sukanta
2017-01-01
Enzymes are biological catalysts that play an important role in determining the patterns of chemical transformations pertaining to life. Many milestones have been achieved in unraveling the mechanisms in which the enzymes orchestrate various cellular processes using experimental and computational approaches. Experimental studies generating nearly all possible mutations of target enzymes have been aided by rapid computational approaches aiming at enzyme functional classification, understanding domain organization, functional site identification. The functional architecture, essentially, is involved in binding or interaction with ligands including substrates, products, cofactors, inhibitors, providing for their function, such as in catalysis, ligand mediated cell signaling, allosteric regulation and post-translational modifications. With the increasing availability of enzyme information and advances in algorithm development, computational approaches have now become more capable of providing precise inputs for enzyme engineering, and in the process also making it more efficient. This has led to interesting findings, especially in aberrant enzyme interactions, such as hostpathogen interactions in infection, neurodegenerative diseases, cancer and diabetes. This review aims to summarize in retrospection - the mined knowledge, vivid perspectives and challenging strides in using available experimentally validated enzyme information for characterization. An analytical outlook is presented on the scope of exploring future directions. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.
Designing Artificial Enzymes by Intuition and Computation
Nanda, Vikas; Koder, Ronald L.
2012-01-01
The rational design of artificial enzymes either by applying physio-chemical intuition of protein structure and function or with the aid of computation methods is a promising area of research with the potential to tremendously impact medicine, industrial chemistry and energy production. Designed proteins also provide a powerful platform for dissecting enzyme mechanisms of natural systems. Artificial enzymes have come a long way, from simple α-helical peptide catalysts to proteins that facilitate multi-step chemical reactions designed by state-of-the-art computational methods. Looking forward, we examine strategies employed by natural enzymes which could be used to improve the speed and selectivity of artificial catalysts. PMID:21124375
Examinations of the Chemical Step in Enzyme Catalysis.
Singh, P; Islam, Z; Kohen, A
2016-01-01
Advances in computational and experimental methods in enzymology have aided comprehension of enzyme-catalyzed chemical reactions. The main difficulty in comparing computational findings to rate measurements is that the first examines a single energy barrier, while the second frequently reflects a combination of many microscopic barriers. We present here intrinsic kinetic isotope effects and their temperature dependence as a useful experimental probe of a single chemical step in a complex kinetic cascade. Computational predictions are tested by this method for two model enzymes: dihydrofolate reductase and thymidylate synthase. The description highlights the significance of collaboration between experimentalists and theoreticians to develop a better understanding of enzyme-catalyzed chemical conversions. © 2016 Elsevier Inc. All rights reserved.
Frushicheva, Maria P.; Cao, Jie; Warshel, Arieh
2011-01-01
One of the fundamental challenges in biotechnology and biochemistry is the ability to design effective enzymes. Despite recent progress, most of the advances on this front have been made by placing the reacting fragments in the proper places, rather than by optimizing the preorganization of the environment, which is the key factor in enzyme catalysis. Thus, rational improvement of the preorganization would require approaches capable of evaluating reliably the actual catalytic effect. This work considers the catalytic effects in different Kemp eliminases as a benchmark for a computer aided enzyme design. It is shown that the empirical valence bond provides a powerful screening tool, with significant advantage over current alternative strategies. The insights provided by the empirical valence bond calculations are discussed emphasizing the ability to analyze the difference between the linear free energy relationships obtained in solution to those found in the enzymes. We also point out the trade off between reliability and speed of the calculations and try to determine what it takes to obtain reliable computer aided screening. PMID:21443179
Challenges and advances in validating enzyme design proposals: the case of kemp eliminase catalysis.
Frushicheva, Maria P; Cao, Jie; Warshel, Arieh
2011-05-10
One of the fundamental challenges in biotechnology and biochemistry is the ability to design effective enzymes. Despite recent progress, most of the advances on this front have been made by placing the reacting fragments in the proper places, rather than by optimizing the preorganization of the environment, which is the key factor in enzyme catalysis. Thus, rational improvement of the preorganization would require approaches capable of evaluating reliably the actual catalytic effect. This work considers the catalytic effects in different Kemp eliminases as a benchmark for a computer-aided enzyme design. It is shown that the empirical valence bond provides a powerful screening tool, with significant advantages over current alternative strategies. The insights provided by the empirical valence bond calculations are discussed with an emphasis on the ability to analyze the difference between the linear free energy relationships obtained in solution and those found in the enzymes. We also point out the trade-off between the reliability and speed of the calculations and try to determine what it takes to realize reliable computer-aided screening.
Computer-aided prediction of xenobiotic metabolism in the human body
NASA Astrophysics Data System (ADS)
Bezhentsev, V. M.; Tarasova, O. A.; Dmitriev, A. V.; Rudik, A. V.; Lagunin, A. A.; Filimonov, D. A.; Poroikov, V. V.
2016-08-01
The review describes the major databases containing information about the metabolism of xenobiotics, including data on drug metabolism, metabolic enzymes, schemes of biotransformation and the structures of some substrates and metabolites. Computational approaches used to predict the interaction of xenobiotics with metabolic enzymes, prediction of metabolic sites in the molecule, generation of structures of potential metabolites for subsequent evaluation of their properties are considered. The advantages and limitations of various computational methods for metabolism prediction and the prospects for their applications to improve the safety and efficacy of new drugs are discussed. Bibliography — 165 references.
Masuda, Yosuke; Yamaotsu, Noriyuki; Hirono, Shuichi
2017-01-01
In order to predict the potencies of mechanism-based reversible covalent inhibitors, the relationships between calculated Gibbs free energy of hydrolytic water molecule in acyl-trypsin intermediates and experimentally measured catalytic rate constants (k cat ) were investigated. After obtaining representative solution structures by molecular dynamics (MD) simulations, hydration thermodynamics analyses using WaterMap™ were conducted. Consequently, we found for the first time that when Gibbs free energy of the hydrolytic water molecule was lower, logarithms of k cat were also lower. The hydrolytic water molecule with favorable Gibbs free energy may hydrolyze acylated serine slowly. Gibbs free energy of hydrolytic water molecule might be a useful descriptor for computer-aided discovery of mechanism-based reversible covalent inhibitors of hydrolytic enzymes.
Parasuraman, Raja; de Visser, Ewart; Lin, Ming-Kuan; Greenwood, Pamela M.
2012-01-01
Computerized aiding systems can assist human decision makers in complex tasks but can impair performance when they provide incorrect advice that humans erroneously follow, a phenomenon known as “automation bias.” The extent to which people exhibit automation bias varies significantly and may reflect inter-individual variation in the capacity of working memory and the efficiency of executive function, both of which are highly heritable and under dopaminergic and noradrenergic control in prefrontal cortex. The dopamine beta hydroxylase (DBH) gene is thought to regulate the differential availability of dopamine and norepinephrine in prefrontal cortex. We therefore examined decision-making performance under imperfect computer aiding in 100 participants performing a simulated command and control task. Based on two single nucleotide polymorphism (SNPs) of the DBH gene, −1041 C/T (rs1611115) and 444 G/A (rs1108580), participants were divided into groups of low and high DBH enzyme activity, where low enzyme activity is associated with greater dopamine relative to norepinephrine levels in cortex. Compared to those in the high DBH enzyme activity group, individuals in the low DBH enzyme activity group were more accurate and speedier in their decisions when incorrect advice was given and verified automation recommendations more frequently. These results indicate that a gene that regulates relative prefrontal cortex dopamine availability, DBH, can identify those individuals who are less susceptible to bias in using computerized decision-aiding systems. PMID:22761865
Validation of RetroPath, a computer-aided design tool for metabolic pathway engineering.
Fehér, Tamás; Planson, Anne-Gaëlle; Carbonell, Pablo; Fernández-Castané, Alfred; Grigoras, Ioana; Dariy, Ekaterina; Perret, Alain; Faulon, Jean-Loup
2014-11-01
Metabolic engineering has succeeded in biosynthesis of numerous commodity or high value compounds. However, the choice of pathways and enzymes used for production was many times made ad hoc, or required expert knowledge of the specific biochemical reactions. In order to rationalize the process of engineering producer strains, we developed the computer-aided design (CAD) tool RetroPath that explores and enumerates metabolic pathways connecting the endogenous metabolites of a chassis cell to the target compound. To experimentally validate our tool, we constructed 12 top-ranked enzyme combinations producing the flavonoid pinocembrin, four of which displayed significant yields. Namely, our tool queried the enzymes found in metabolic databases based on their annotated and predicted activities. Next, it ranked pathways based on the predicted efficiency of the available enzymes, the toxicity of the intermediate metabolites and the calculated maximum product flux. To implement the top-ranking pathway, our procedure narrowed down a list of nine million possible enzyme combinations to 12, a number easily assembled and tested. One round of metabolic network optimization based on RetroPath output further increased pinocembrin titers 17-fold. In total, 12 out of the 13 enzymes tested in this work displayed a relative performance that was in accordance with its predicted score. These results validate the ranking function of our CAD tool, and open the way to its utilization in the biosynthesis of novel compounds. Copyright © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
ERIC Educational Resources Information Center
Pamula, F.; And Others
1995-01-01
Describes an interactive computer program written to provide accurate and immediate feedback to students while they are processing experimental data. Discusses the problems inherent in laboratory courses that led to the development of this program. Advantages of the software include allowing students to work at their own pace in a nonthreatening…
Mohamad Ali, Mohd Shukuri; Mohd Fuzi, Siti Farhanie; Ganasen, Menega; Abdul Rahman, Raja Noor Zaliha Raja; Basri, Mahiran; Salleh, Abu Bakar
2013-01-01
The psychrophilic enzyme is an interesting subject to study due to its special ability to adapt to extreme temperatures, unlike typical enzymes. Utilizing computer-aided software, the predicted structure and function of the enzyme lipase AMS8 (LipAMS8) (isolated from the psychrophilic Pseudomonas sp., obtained from the Antarctic soil) are studied. The enzyme shows significant sequence similarities with lipases from Pseudomonas sp. MIS38 and Serratia marcescens. These similarities aid in the prediction of the 3D molecular structure of the enzyme. In this study, 12 ns MD simulation is performed at different temperatures for structural flexibility and stability analysis. The results show that the enzyme is most stable at 0°C and 5°C. In terms of stability and flexibility, the catalytic domain (N-terminus) maintained its stability more than the noncatalytic domain (C-terminus), but the non-catalytic domain showed higher flexibility than the catalytic domain. The analysis of the structure and function of LipAMS8 provides new insights into the structural adaptation of this protein at low temperatures. The information obtained could be a useful tool for low temperature industrial applications and molecular engineering purposes, in the near future.
Fang, Liping; Zheng, Minghui; Liu, Guorui; Zhao, Yuyang; Liu, Wenbin; Huang, Linyan; Guo, Li
2017-02-01
Enzyme-aided Cl 2 bleaching is widely considered as promising replacements for conventional Cl 2 bleaching in wood pulp and paper mills. However, the effects of using enzyme-aided bleaching on the formation of polychlorinated dibenzo-p-dioxins and dibenzofurans (PCDD/Fs) in the non-wood pulp and paper mills are unclear. A field study was performed to investigate PCDD/F formation when enzyme-aided Cl 2 bleaching was used to replace conventional Cl 2 bleaching in non-wood pulp and paper mills. Unexpectedly, the PCDD/F toxic equivalents (TEQs) in solid samples were higher when using enzyme-aided bleaching (0.49-5.4 pg TEQ/g) than that using conventional Cl 2 bleaching (0.15-2.44 pg TEQ/g). Large amounts of octachlorodibenzo-p-dioxin were formed during the enzyme-aided bleaching process. This could have been because enzyme strongly promoted the release of organic molecules bound to lignin and thus accelerated the formation of octachlorodibenzo-p-dioxin through organic molecular precursors. Although enzyme-aided Cl 2 bleaching was previously considered to be efficient for reducing PCDD/F releases and to be the best available technologies and best environmental practices for wood pulp and paper mills, the results obtained in this study suggested the necessity and urgency to evaluate the suitability of enzyme-aided Cl 2 bleaching for non-wood pulp and paper mills that intensively practiced in developing countries. Copyright © 2016 Elsevier Ltd. All rights reserved.
Enhanced Thermostability of Glucose Oxidase through Computer-Aided Molecular Design.
Ning, Xiaoyan; Zhang, Yanli; Yuan, Tiantian; Li, Qingbin; Tian, Jian; Guan, Weishi; Liu, Bo; Zhang, Wei; Xu, Xinxin; Zhang, Yuhong
2018-01-31
Glucose oxidase (GOD, EC.1.1.3.4) specifically catalyzes the reaction of β-d-glucose to gluconic acid and hydrogen peroxide in the presence of oxygen, which has become widely used in the food industry, gluconic acid production and the feed industry. However, the poor thermostability of the current commercial GOD is a key limiting factor preventing its widespread application. In the present study, amino acids closely related to the thermostability of glucose oxidase from Penicillium notatum were predicted with a computer-aided molecular simulation analysis, and mutant libraries were established following a saturation mutagenesis strategy. Two mutants with significantly improved thermostabilities, S100A and D408W, were subsequently obtained. Their protein denaturing temperatures were enhanced by about 4.4 °C and 1.2 °C, respectively, compared with the wild-type enzyme. Treated at 55 °C for 3 h, the residual activities of the mutants were greater than 72%, while that of the wild-type enzyme was only 20%. The half-lives of S100A and D408W were 5.13- and 4.41-fold greater, respectively, than that of the wild-type enzyme at the same temperature. This work provides novel and efficient approaches for enhancing the thermostability of GOD by reducing the protein free unfolding energy or increasing the interaction of amino acids with the coenzyme.
Enhanced Thermostability of Glucose Oxidase through Computer-Aided Molecular Design
Ning, Xiaoyan; Zhang, Yanli; Yuan, Tiantian; Li, Qingbin; Tian, Jian; Guan, Weishi; Liu, Bo; Zhang, Wei; Xu, Xinxin
2018-01-01
Glucose oxidase (GOD, EC.1.1.3.4) specifically catalyzes the reaction of β-d-glucose to gluconic acid and hydrogen peroxide in the presence of oxygen, which has become widely used in the food industry, gluconic acid production and the feed industry. However, the poor thermostability of the current commercial GOD is a key limiting factor preventing its widespread application. In the present study, amino acids closely related to the thermostability of glucose oxidase from Penicillium notatum were predicted with a computer-aided molecular simulation analysis, and mutant libraries were established following a saturation mutagenesis strategy. Two mutants with significantly improved thermostabilities, S100A and D408W, were subsequently obtained. Their protein denaturing temperatures were enhanced by about 4.4 °C and 1.2 °C, respectively, compared with the wild-type enzyme. Treated at 55 °C for 3 h, the residual activities of the mutants were greater than 72%, while that of the wild-type enzyme was only 20%. The half-lives of S100A and D408W were 5.13- and 4.41-fold greater, respectively, than that of the wild-type enzyme at the same temperature. This work provides novel and efficient approaches for enhancing the thermostability of GOD by reducing the protein free unfolding energy or increasing the interaction of amino acids with the coenzyme. PMID:29385094
Li, Lin-feng; Zhai, Fang; Shang, Lu-qing; Yin, Zheng; Yuan, Ying-jin
2014-01-01
Identification of efficient key enzymes in biosynthesis pathway and optimization of the fitness between functional modules and chassis are important for improving the production of target compounds. In this study, the taxadiene biosynthesis pathway was firstly constructed in yeast by transforming ts gene and overexpressing erg20 and thmgr. Then, the catalytic capabilities of six different geranylgeranyl diphosphate synthases (GGPPS), the key enzyme in mevalonic acid (MVA) pathway catalyzing famesyl diphosphate (FPP) to geranylgeranyl diphosphate (GGPP), were predicted using enzyme-substrate docking strategy. GGPPSs from Taxus baccata x Taxus cuspidate (GGPPSbc), Erwinia herbicola (GGPPSeh), and S. cerevisiae (GGPPSsc) which ranked 1st, 4th and 6th in docking with FPP were selected for construction. The experimental results were consistent with the computer prediction that the engineered yeast with GGPPSbc exhibited the highest production. In addition, two chassis YSG50 and W303-1A were chosen, and the titer of taxadiene reached 72.8 mg/L in chassis YSG50 with GGPPSbc. Metabolomic study revealed that the contents of tricarboxylic acid cycle (TCA) intermediates and their precursor amino acids in chassis YSG50 was lower than those in W303-1A, indicating less carbon flux was divided into TCA cycle. Furthermore, the levels of TCA intermediates in the taxadiene producing yeasts were lower than those in chassis YSG50. Thus, it may result in more carbon flux in MVA pathway in chassis YSG50, which suggested that YSG50 was more suitable for engineering the taxadiene producing yeast. These results indicated that computer-aided protein modeling directed isoenzyme selection strategy and metabolomic study could guide the rational design of terpenes biosynthetic cells. PMID:25295588
Design of a prototype flow microreactor for synthetic biology in vitro.
Boehm, Christian R; Freemont, Paul S; Ces, Oscar
2013-09-07
As a reference platform for in vitro synthetic biology, we have developed a prototype flow microreactor for enzymatic biosynthesis. We report the design, implementation, and computer-aided optimisation of a three-step model pathway within a microfluidic reactor. A packed bed format was shown to be optimal for enzyme compartmentalisation after experimental evaluation of several approaches. The specific substrate conversion efficiency could significantly be improved by an optimised parameter set obtained by computational modelling. Our microreactor design provides a platform to explore new in vitro synthetic biology solutions for industrial biosynthesis.
Montgomery, Andrew P; Xiao, Kela; Wang, Xingyong; Skropeta, Danielle; Yu, Haibo
2017-01-01
Carbohydrate-active enzymes (CAZymes) are families of essential and structurally related enzymes, which catalyze the creation, modification, and degradation of glycosidic bonds in carbohydrates to maintain essentially all kingdoms of life. CAZymes play a key role in many biological processes underpinning human health and diseases (e.g., cancer, diabetes, Alzheimer's diseases, AIDS) and have thus emerged as important drug targets in the fight against pathogenesis. The realization of the full potential of CAZymes remains a significant challenge, relying on a deeper understanding of the molecular mechanisms of catalysis. Considering numerous unsettled questions in the literature, while with a large amount of structural, kinetic, and mutagenesis data available for CAZymes, there is a pressing need and an abundant opportunity for collaborative computational and experimental investigations with the aim to unlock the secrets of CAZyme catalysis at an atomic level. In this review, we briefly survey key methodology development in computational studies of CAZyme catalysis. This is complemented by selected case studies highlighting mechanistic insights provided by computational glycobiology. Implication for inhibitor design by mimicking the transition state is also illustrated for both glycoside hydrolases and glycosyltransferases. The challenges for such studies will be noted and finally an outlook for future directions will be provided. © 2017 Elsevier Inc. All rights reserved.
Flume Computer-Aided Design (CAD): Integrated CAD for Microflume Components and Systems
2002-04-01
31 3.3: Matching the Mix Ratio (Part B...sizes) will be optimized based on the required flow rates and mixing ratios of the different species. The influence of etch depth is investigated on a...Inhibition Study In this network, the target protein is mixed with protease (i.e. enzyme that cleaves the target protein) and the protease inhibitor (the
Xu, Feng; Kosjek, Birgit; Cabirol, Fabien L; Chen, Haibin; Desmond, Richard; Park, Jeonghan; Gohel, Anupam P; Collier, Steven J; Smith, Derek J; Liu, Zhuqing; Janey, Jacob M; Chung, John Y L; Alvizo, Oscar
2018-06-04
Described here is an efficient stereoselective synthesis of vibegron enabled by an enzymatic dynamic kinetic reduction that proceeds in a high-pH environment. To overcome enzyme performance limitations under these conditions, a ketoreductase was evolved by a computationally and structurally aided strategy to increase cofactor stability through tighter binding. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.
2010-01-01
Deoxycytidine deaminase enzyme activity was reduced in lysates of human leukemic THP1 cells 24 h after transfection with siRNA designed to inhibit cell synthesis of heat shock protein 70 (Hsp70)1a and Hsp701b. The cytidine deaminase enzyme activity from the cell lysates was purified from an affinity column which contained bound single-stranded oligodeoxycytidylic acid. Deficient enzyme activity in certain elution fractions from the siRNA-transfected cells was restored by including recombinant HSP 70 in the assays. Enzyme activity in some other fractions was increased after siRNA transfection. Activation-induced cytidine deaminase (AID) is a central factor in the immune response. A more specific assay for AID was used to study the influence of Hsp70 on AID activity. Unlike Hsp70's ability to stimulate certain enzymes of DNA base excision repair and other cytidine deaminases, it had little effect on AID activity in vitro, or was weakly inhibitory. PMID:20680536
Qing, Taiping; He, Dinggeng; He, Xiaoxiao; Wang, Kemin; Xu, Fengzhou; Wen, Li; Shangguan, Jingfang; Mao, Zhengui; Lei, Yanli
2016-04-01
Owing to their highly efficient catalytic effects and substrate specificity, the nucleic acid tool enzymes are applied as 'nano-tools' for manipulating different nucleic acid substrates both in the test-tube and in living organisms. In addition to the function as molecular scissors and molecular glue in genetic engineering, the application of nucleic acid tool enzymes in biochemical analysis has also been extensively developed in the past few decades. Used as amplifying labels for biorecognition events, the nucleic acid tool enzymes are mainly applied in nucleic acids amplification sensing, as well as the amplification sensing of biorelated variations of nucleic acids. With the introduction of aptamers, which can bind different target molecules, the nucleic acid tool enzymes-aided signal amplification strategies can also be used to sense non-nucleic targets (e.g., ions, small molecules, proteins, and cells). This review describes and discusses the amplification strategies of nucleic acid tool enzymes-aided biosensors for biochemical analysis applications. Various analytes, including nucleic acids, ions, small molecules, proteins, and cells, are reviewed briefly. This work also addresses the future trends and outlooks for signal amplification in nucleic acid tool enzymes-aided biosensors.
A Quantitative Measure of Conformational Changes in Apo, Holo and Ligand-Bound Forms of Enzymes.
Singh, Satendra; Singh, Atul Kumar; Wadhwa, Gulshan; Singh, Dev Bukhsh; Dwivedi, Seema; Gautam, Budhayash; Ramteke, Pramod W
2016-06-01
Determination of the native geometry of the enzymes and ligand complexes is a key step in the process of structure-based drug designing. Enzymes and ligands show flexibility in structural behavior as they come in contact with each other. When ligand binds with active site of the enzyme, in the presence of cofactor some structural changes are expected to occur in the active site. Motivation behind this study is to determine the nature of conformational changes as well as regions where such changes are more pronounced. To measure the structural changes due to cofactor and ligand complex, enzyme in apo, holo and ligand-bound forms is selected. Enzyme data set was retrieved from protein data bank. Fifteen triplet groups were selected for the analysis of structural changes based on selection criteria. Structural features for selected enzymes were compared at the global as well as local region. Accessible surface area for the enzymes in entire triplet set was calculated, which describes the change in accessible surface area upon binding of cofactor and ligand with the enzyme. It was observed that some structural changes take place during binding of ligand in the presence of cofactor. This study will helps in understanding the level of flexibility in protein-ligand interaction for computer-aided drug designing.
Wei, Qiong; Wang, Liqun; Wang, Qiang; Kruger, Warren D.; Dunbrack, Roland L.
2010-01-01
Predicting the phenotypes of missense mutations uncovered by large-scale sequencing projects is an important goal in computational biology. High-confidence predictions can be an aid in focusing experimental and association studies on those mutations most likely to be associated with causative relationships between mutation and disease. As an aid in developing these methods further, we have derived a set of random mutations of the enzymatic domains of human cystathionine beta synthase. This enzyme is a dimeric protein that catalyzes the condensation of serine and homocysteine to produce cystathionine. Yeast missing this enzyme cannot grow on medium lacking a source of cysteine, while transfection of functional human CBS into yeast strains missing endogenous enzyme can successfully complement for the missing gene. We used PCR mutagenesis with error-prone Taq polymerase to produce 948 colonies, and compared cell growth in the presence or absence of a cysteine source as a measure of CBS function. We were able to infer the phenotypes of 204 single-site mutants, 79 of them deleterious and 125 neutral. This set was used to test the accuracy of six publicly available prediction methods for phenotype prediction of missense mutations: SIFT, PolyPhen, PMut, SNPs3D, PhD-SNP, and nsSNPAnalyzer. The top methods are PolyPhen, SIFT, and nsSNPAnalyzer, which have similar performance. Using kernel discriminant functions, we found that the difference in position-specific scoring matrix values is more predictive than the wild-type PSSM score alone, and that the relative surface area in the biologically relevant complex is more predictive than that of the monomeric proteins. PMID:20455263
Recent development on computer aided tissue engineering--a review.
Sun, Wei; Lal, Pallavi
2002-02-01
The utilization of computer-aided technologies in tissue engineering has evolved in the development of a new field of computer-aided tissue engineering (CATE). This article reviews recent development and application of enabling computer technology, imaging technology, computer-aided design and computer-aided manufacturing (CAD and CAM), and rapid prototyping (RP) technology in tissue engineering, particularly, in computer-aided tissue anatomical modeling, three-dimensional (3-D) anatomy visualization and 3-D reconstruction, CAD-based anatomical modeling, computer-aided tissue classification, computer-aided tissue implantation and prototype modeling assisted surgical planning and reconstruction.
Pulmonary lobar volumetry using novel volumetric computer-aided diagnosis and computed tomography
Iwano, Shingo; Kitano, Mariko; Matsuo, Keiji; Kawakami, Kenichi; Koike, Wataru; Kishimoto, Mariko; Inoue, Tsutomu; Li, Yuanzhong; Naganawa, Shinji
2013-01-01
OBJECTIVES To compare the accuracy of pulmonary lobar volumetry using the conventional number of segments method and novel volumetric computer-aided diagnosis using 3D computed tomography images. METHODS We acquired 50 consecutive preoperative 3D computed tomography examinations for lung tumours reconstructed at 1-mm slice thicknesses. We calculated the lobar volume and the emphysematous lobar volume < −950 HU of each lobe using (i) the slice-by-slice method (reference standard), (ii) number of segments method, and (iii) semi-automatic and (iv) automatic computer-aided diagnosis. We determined Pearson correlation coefficients between the reference standard and the three other methods for lobar volumes and emphysematous lobar volumes. We also compared the relative errors among the three measurement methods. RESULTS Both semi-automatic and automatic computer-aided diagnosis results were more strongly correlated with the reference standard than the number of segments method. The correlation coefficients for automatic computer-aided diagnosis were slightly lower than those for semi-automatic computer-aided diagnosis because there was one outlier among 50 cases (2%) in the right upper lobe and two outliers among 50 cases (4%) in the other lobes. The number of segments method relative error was significantly greater than those for semi-automatic and automatic computer-aided diagnosis (P < 0.001). The computational time for automatic computer-aided diagnosis was 1/2 to 2/3 than that of semi-automatic computer-aided diagnosis. CONCLUSIONS A novel lobar volumetry computer-aided diagnosis system could more precisely measure lobar volumes than the conventional number of segments method. Because semi-automatic computer-aided diagnosis and automatic computer-aided diagnosis were complementary, in clinical use, it would be more practical to first measure volumes by automatic computer-aided diagnosis, and then use semi-automatic measurements if automatic computer-aided diagnosis failed. PMID:23526418
Romero, L F; Sands, J S; Indrakumar, S E; Plumstead, P W; Dalsgaard, S; Ravindran, V
2014-10-01
The ileal energy contribution of protein, starch, and fat in response to 2 exogenous enzyme combinations was studied in 2 digestibility assays with 21- (experiment 1; 432 birds) and 42-d-old (experiment 2; 288 birds) Ross 308 broiler chickens. A 2 × 2 × 3 factorial arrangement of treatments with 2 base grains (corn or wheat), without or with high fiber ingredients (corn distillers dried grains with solubles and canola meal), and 3 enzyme treatments was implemented. Enzyme treatments, fed from 12 to 21 d or 32 to 42 d, were 1) without enzymes, 2) with xylanase from Trichoderma ressei (2,000 U/kg) and amylase from Bacillus licheniformis (200 U/kg; XA), or 3) with XA plus protease from Bacillus subtilis (4,000 U/kg; XAP). All diets contained Escherichia coli phytase (500 FTU/kg). Apparent ileal digestibility (AID) of protein, starch, and fat, as well as the apparent ileal digestible energy, were determined using titanium dioxide as inert marker. A generalized mixed model was used to test main effects and 2-way interactions at P < 0.05. An enzyme × grain interaction was detected for AID of starch at 21 and 42 d, and AID of fat at 21 d, with greater effects of enzymes in wheat-based compared with corn-based diets, but significant increments due to enzymes compared with controls in both diet types. Apparent ileal digestibility of fat at 42 d increased with enzyme supplementation compared with the control treatments. The XA and XAP treatments gradually (P < 0.05) increased AID of protein at 21 d, but only XAP increased AID of protein compared with the control at 42 d. Compared with the controls, XA increased AID energy by 52 or 87 kcal, and XAP by 104 or 152 kcal/kg of DM at 21 or 42 d, respectively. The caloric contribution of starch, fat, and protein were affected differentially by base grain and the presence of fibrous ingredients at 21 and 42 d of age. ©2014 Poultry Science Association Inc.
Romero, L. F.; Sands, J. S.; Indrakumar, S. E.; Plumstead, P. W.; Dalsgaard, S.; Ravindran, V.
2014-01-01
The ileal energy contribution of protein, starch, and fat in response to 2 exogenous enzyme combinations was studied in 2 digestibility assays with 21- (experiment 1; 432 birds) and 42-d-old (experiment 2; 288 birds) Ross 308 broiler chickens. A 2 × 2 × 3 factorial arrangement of treatments with 2 base grains (corn or wheat), without or with high fiber ingredients (corn distillers dried grains with solubles and canola meal), and 3 enzyme treatments was implemented. Enzyme treatments, fed from 12 to 21 d or 32 to 42 d, were 1) without enzymes, 2) with xylanase from Trichoderma ressei (2,000 U/kg) and amylase from Bacillus licheniformis (200 U/kg; XA), or 3) with XA plus protease from Bacillus subtilis (4,000 U/kg; XAP). All diets contained Escherichia coli phytase (500 FTU/kg). Apparent ileal digestibility (AID) of protein, starch, and fat, as well as the apparent ileal digestible energy, were determined using titanium dioxide as inert marker. A generalized mixed model was used to test main effects and 2-way interactions at P < 0.05. An enzyme × grain interaction was detected for AID of starch at 21 and 42 d, and AID of fat at 21 d, with greater effects of enzymes in wheat-based compared with corn-based diets, but significant increments due to enzymes compared with controls in both diet types. Apparent ileal digestibility of fat at 42 d increased with enzyme supplementation compared with the control treatments. The XA and XAP treatments gradually (P < 0.05) increased AID of protein at 21 d, but only XAP increased AID of protein compared with the control at 42 d. Compared with the controls, XA increased AID energy by 52 or 87 kcal, and XAP by 104 or 152 kcal/kg of DM at 21 or 42 d, respectively. The caloric contribution of starch, fat, and protein were affected differentially by base grain and the presence of fibrous ingredients at 21 and 42 d of age. PMID:25071229
Inhibition of Collagenase by Mycosporine-like Amino Acids from Marine Sources
Hartmann, Anja; Gostner, Johanna; Fuchs, Julian E.; Chaita, Eliza; Aligiannis, Nektarios; Skaltsounis, Leandros; Ganzera, Markus
2015-01-01
Matrix metalloproteinases (MMP) play an important role in extracellular matrix remodeling. Excessive activity of these enzymes can be induced by UV light and leads to skin damage, a process known as photoaging. In this study we investigated the collagenase inhibition potential of mycosporine-like amino acids (MAA), compounds that have been isolated from marine organisms and are known photoprotectants against UV-A and UV-B. For this purpose the commonly used collagenase assay was optimized and for the first time validated in terms of relationships between enzyme-substrate concentrations, temperature, incubation time and enzyme stability. Three compounds were isolated from the marine red algae Porphyra sp. and Palmaria palmata, and evaluated for their inhibitory properties against Chlostridium histolyticum collagenase (Chc). A dose-dependent, but very moderate inhibition was observed for all substances and IC50 values of 104.0 μM for shinorine, 105.9 μM for porphyra and 158.9 μM for palythine were determined. Additionally, computer-aided docking models suggested that the MAA binding to the active site of the enzyme is a competitive inhibition. PMID:26039265
Evitt, Andrew S; Cox, Russell J
2011-05-01
Inhibitors of the enzyme aspartate semialdehyde dehydrogenase, a key biological target for the generation of a new class of antibiotic compounds, have been developed. To investigate improvements to binding within an inhibitor series, the lowering of the entropic barrier to binding through conformational restriction was investigated. A library of linear and cyclic substrate analogues was generated and computational docking used to aid in structure selection. The cyclic phosphonate inhibitor 18 was thus identified as complimentary to the enzyme active-site. Synthesis and in vitro inhibition assay revealed a K(i) of 3.8 mM against natural substrate, where the linear analogue of 18, compound 15, had previously shown no inhibitory activity. Two further inhibitors, phosphate analogue diastereoisomers 17a and 17b, were synthesised and also found to have low millimolar K(i) values. As a result of the computational docking investigations, a novel substrate binding interaction was discovered: hydrogen bonding between the substrate (phosphate hydroxy-group as the hydrogen bond donor) and the NADPH cofactor (2'-oxygen as the hydrogen bond acceptor).
Cantaert, Tineke; Schickel, Jean-Nicolas; Bannock, Jason M.; Ng, Yen-Shing; Massad, Christopher; Oe, Tyler; Wu, Renee; Lavoie, Aubert; Walter, Jolan E.; Notarangelo, Luigi D.; Al-Herz, Waleed; Kilic, Sara Sebnem; Ochs, Hans D.; Nonoyama, Shigeaki; Durandy, Anne; Meffre, Eric
2015-01-01
SUMMARY Activation-induced cytidine deaminase (AID), the enzyme mediating class switch recombination (CSR) and somatic hypermutation (SHM) of immunoglobulin genes, is essential for the removal of developing autoreactive B cells. How AID mediates central B-cell tolerance remains unknown. We report that AID enzymes were produced in a discrete population of immature B cells that expressed recombination-activating gene 2 (RAG2), suggesting that they undergo secondary recombination to edit autoreactive antibodies. However, most AID+ immature B cells lacked anti-apoptotic MCL-1 and were deleted by apoptosis. AID inhibition using lentiviral-encoded short hairpin (sh)RNA in B cells developing in humanized mice resulted in a failure to remove autoreactive clones. Hence, B-cell intrinsic AID expression mediates central B-cell tolerance potentially through its RAG-coupled genotoxic activity in self-reactive immature B cells. PMID:26546282
NASA Astrophysics Data System (ADS)
Banchelli, Martina; Guardiani, Carlo; Sandberg, Robert B.; Menichetti, Stefano; Procacci, Piero; Caminati, Gabriella
2015-07-01
Small-molecule inhibitors of Tumor Necrosis Factor α Converting Enzyme (TACE) are a promising therapeutic tool for Rheumatoid Arthritis, Multiple Sclerosis and other autoimmune diseases. Here we report on an extensive chemical-physical analysis of the media effects in modulating the conformational landscape of MBET306, the common scaffold and a synthetic precursor of a family of recently discovered tartrate-based TACE inhibitors. The structural features of this molecule with potential pharmaceutical applications have been disclosed by interpreting extensive photophysical measurements in various solvents with the aid of enhanced sampling molecular dynamics simulations and time dependent density functional calculations. Using a combination of experimental and computational techniques, the paper provides a general protocol for studying the structure in solution of molecular systems characterized by the existence of conformational metastable states.
Vianello, Robert; Domene, Carmen; Mavri, Janez
2016-01-01
HIGHLIGHTS Computational techniques provide accurate descriptions of the structure and dynamics of biological systems, contributing to their understanding at an atomic level.Classical MD simulations are a precious computational tool for the processes where no chemical reactions take place.QM calculations provide valuable information about the enzyme activity, being able to distinguish among several mechanistic pathways, provided a carefully selected cluster model of the enzyme is considered.Multiscale QM/MM simulation is the method of choice for the computational treatment of enzyme reactions offering quantitative agreement with experimentally determined reaction parameters.Molecular simulation provide insight into the mechanism of both the catalytic activity and inhibition of monoamine oxidases, thus aiding in the rational design of their inhibitors that are all employed and antidepressants and antiparkinsonian drugs. Aging society and therewith associated neurodegenerative and neuropsychiatric diseases, including depression, Alzheimer's disease, obsessive disorders, and Parkinson's disease, urgently require novel drug candidates. Targets include monoamine oxidases A and B (MAOs), acetylcholinesterase (AChE), butyrylcholinesterase (BChE), and various receptors and transporters. For rational drug design it is particularly important to combine experimental synthetic, kinetic, toxicological, and pharmacological information with structural and computational work. This paper describes the application of various modern computational biochemistry methods in order to improve the understanding of a relationship between the structure and function of large biological systems including ion channels, transporters, receptors, and metabolic enzymes. The methods covered stem from classical molecular dynamics simulations to understand the physical basis and the time evolution of the structures, to combined QM, and QM/MM approaches to probe the chemical mechanisms of enzymatic activities and their inhibition. As an illustrative example, the later will focus on the monoamine oxidase family of enzymes, which catalyze the degradation of amine neurotransmitters in various parts of the brain, the imbalance of which is associated with the development and progression of a range of neurodegenerative disorders. Inhibitors that act mainly on MAO A are used in the treatment of depression, due to their ability to raise serotonin concentrations, while MAO B inhibitors decrease dopamine degradation and improve motor control in patients with Parkinson disease. Our results give strong support that both MAO isoforms, A and B, operate through the hydride transfer mechanism. Relevance of MAO catalyzed reactions and MAO inhibition in the context of neurodegeneration will be discussed. PMID:27471444
Seruya, Mitchel; Fisher, Mark; Rodriguez, Eduardo D
2013-11-01
There has been rising interest in computer-aided design/computer-aided manufacturing for preoperative planning and execution of osseous free flap reconstruction. The purpose of this study was to compare outcomes between computer-assisted and conventional fibula free flap techniques for craniofacial reconstruction. A two-center, retrospective review was carried out on patients who underwent fibula free flap surgery for craniofacial reconstruction from 2003 to 2012. Patients were categorized by the type of reconstructive technique: conventional (between 2003 and 2009) or computer-aided design/computer-aided manufacturing (from 2010 to 2012). Demographics, surgical factors, and perioperative and long-term outcomes were compared. A total of 68 patients underwent microsurgical craniofacial reconstruction: 58 conventional and 10 computer-aided design and manufacturing fibula free flaps. By demographics, patients undergoing the computer-aided design/computer-aided manufacturing method were significantly older and had a higher rate of radiotherapy exposure compared with conventional patients. Intraoperatively, the median number of osteotomies was significantly higher (2.0 versus 1.0, p=0.002) and the median ischemia time was significantly shorter (120 minutes versus 170 minutes, p=0.004) for the computer-aided design/computer-aided manufacturing technique compared with conventional techniques; operative times were shorter for patients undergoing the computer-aided design/computer-aided manufacturing technique, although this did not reach statistical significance. Perioperative and long-term outcomes were equivalent for the two groups, notably, hospital length of stay, recipient-site infection, partial and total flap loss, and rate of soft-tissue and bony tissue revisions. Microsurgical craniofacial reconstruction using a computer-assisted fibula flap technique yielded significantly shorter ischemia times amidst a higher number of osteotomies compared with conventional techniques. Therapeutic, III.
Computer-Aided Facilities Management Systems (CAFM).
ERIC Educational Resources Information Center
Cyros, Kreon L.
Computer-aided facilities management (CAFM) refers to a collection of software used with increasing frequency by facilities managers. The six major CAFM components are discussed with respect to their usefulness and popularity in facilities management applications: (1) computer-aided design; (2) computer-aided engineering; (3) decision support…
AID to overcome the limitations of genomic information by introducing somatic DNA alterations.
Honjo, Tasuku; Muramatsu, Masamichi; Nagaoka, Hitoshi; Kinoshita, Kazuo; Shinkura, Reiko
2006-05-01
The immune system has adopted somatic DNA alterations to overcome the limitations of the genomic information. Activation induced cytidine deaminase (AID) is an essential enzyme to regulate class switch recombination (CSR), somatic hypermutation (SHM) and gene conversion (GC) of the immunoglobulin gene. AID is known to be required for DNA cleavage of S regions in CSR and V regions in SHM. However, its molecular mechanism is a focus of extensive debate. RNA editing hypothesis postulates that AID edits yet unknown mRNA, to generate specific endonucleases for CSR and SHM. By contrast, DNA deamination hypothesis assumes that AID deaminates cytosine in DNA, followed by DNA cleavage by base excision repair enzymes. We summarize the basic knowledge for molecular mechanisms for CSR and SHM and then discuss the importance of AID not only in the immune regulation but also in the genome instability.
Mitchell, Felicity L.; Miles, Steven M.; Neres, João; Bichenkova, Elena V.; Bryce, Richard A.
2010-01-01
Abstract Molecular dynamics investigations into active site plasticity of Trypanosoma cruzi trans-sialidase, a protein implicated in Chagas disease, suggest that movement of the Trp312 loop plays an important role in the enzyme's sialic acid transfer mechanism. The observed Trp312 flexibility equates to a molecular shovel action, which leads to the expulsion of the donor aglycone leaving group from the catalytic site. These computational simulations provide detailed structural insights into sialyl transfer by the trans-sialidase and may aid the design of inhibitors effective against this neglected tropical disease. PMID:20441732
ERIC Educational Resources Information Center
Hagge, John
1986-01-01
Focuses on problems encountered with computer-aided writing instruction. Discusses conflicts caused by the computer classroom concept, some general paradoxes and ethical implications of computer-aided instruction. (EL)
King, Justin J.; Amemiya, Chris T.; Hsu, Ellen
2017-01-01
ABSTRACT Activation-induced cytidine deaminase (AID) is a genome-mutating enzyme that initiates class switch recombination and somatic hypermutation of antibodies in jawed vertebrates. We previously described the biochemical properties of human AID and found that it is an unusual enzyme in that it exhibits binding affinities for its substrate DNA and catalytic rates several orders of magnitude higher and lower, respectively, than a typical enzyme. Recently, we solved the functional structure of AID and demonstrated that these properties are due to nonspecific DNA binding on its surface, along with a catalytic pocket that predominantly assumes a closed conformation. Here we investigated the biochemical properties of AID from a sea lamprey, nurse shark, tetraodon, and coelacanth: representative species chosen because their lineages diverged at the earliest critical junctures in evolution of adaptive immunity. We found that these earliest-diverged AID orthologs are active cytidine deaminases that exhibit unique substrate specificities and thermosensitivities. Significant amino acid sequence divergence among these AID orthologs is predicted to manifest as notable structural differences. However, despite major differences in sequence specificities, thermosensitivities, and structural features, all orthologs share the unusually high DNA binding affinities and low catalytic rates. This absolute conservation is evidence for biological significance of these unique biochemical properties. PMID:28716949
Project-Based Teaching-Learning Computer-Aided Engineering Tools
ERIC Educational Resources Information Center
Simoes, J. A.; Relvas, C.; Moreira, R.
2004-01-01
Computer-aided design, computer-aided manufacturing, computer-aided analysis, reverse engineering and rapid prototyping are tools that play an important key role within product design. These are areas of technical knowledge that must be part of engineering and industrial design courses' curricula. This paper describes our teaching experience of…
Chen, Haoyuan; Piccirilli, Joseph A; Harris, Michael E; York, Darrin M
2015-11-01
Divalent metal ions, due to their ability to stabilize high concentrations of negative charge, are important for RNA folding and catalysis. Detailed models derived from the structures and kinetics of enzymes and from computational simulations have been developed. However, in most cases the specific catalytic modes involving metal ions and their mechanistic roles and effects on transition state structures remain controversial. Valuable information about the nature of the transition state is provided by measurement of kinetic isotope effects (KIEs). However, KIEs reflect changes in all bond vibrational modes that differ between the ground state and transition state. QM calculations are therefore essential for developing structural models of the transition state and evaluating mechanistic alternatives. Herein, we present computational models for Zn2+ binding to RNA 2'O-transphosphorylation reaction models that aid in the interpretation of KIE experiments. Different Zn2+ binding modes produce distinct KIE signatures, and one binding mode involving two zinc ions is in close agreement with KIEs measured for non-enzymatic catalysis by Zn2+ aquo ions alone. Interestingly, the KIE signatures in this specific model are also very close to those in RNase A catalysis. These results allow a quantitative connection to be made between experimental KIE measurements and transition state structure and bonding, and provide insight into RNA 2'O-ransphosphorylation reactions catalyzed by metal ions and enzymes. This article is part of a Special Issue entitled: Enzyme Transition States from Theory and Experiment. Copyright © 2015. Published by Elsevier B.V.
Gao, Yu-Fei; Li, Bi-Qing; Cai, Yu-Dong; Feng, Kai-Yan; Li, Zhan-Dong; Jiang, Yang
2013-01-27
Identification of catalytic residues plays a key role in understanding how enzymes work. Although numerous computational methods have been developed to predict catalytic residues and active sites, the prediction accuracy remains relatively low with high false positives. In this work, we developed a novel predictor based on the Random Forest algorithm (RF) aided by the maximum relevance minimum redundancy (mRMR) method and incremental feature selection (IFS). We incorporated features of physicochemical/biochemical properties, sequence conservation, residual disorder, secondary structure and solvent accessibility to predict active sites of enzymes and achieved an overall accuracy of 0.885687 and MCC of 0.689226 on an independent test dataset. Feature analysis showed that every category of the features except disorder contributed to the identification of active sites. It was also shown via the site-specific feature analysis that the features derived from the active site itself contributed most to the active site determination. Our prediction method may become a useful tool for identifying the active sites and the key features identified by the paper may provide valuable insights into the mechanism of catalysis.
Effect of polymers on the retention and aging of enzyme on bioactive papers.
Khan, Mohidus Samad; Haniffa, Sharon B M; Slater, Alison; Garnier, Gil
2010-08-01
The effect of polymer on the retention and the thermal stability of bioactive enzymatic papers was measured using a colorimetric technique quantifying the intensity of the enzyme-substrate product complex. Alkaline phosphatase (ALP) was used as model enzyme. Three water soluble polymers: a cationic polyacrylamide (CPAM), an anionic polyacrylic acid (PAA) and a neutral polyethylene oxide (PEO) were selected as retention aids. The model polymers increased the enzyme adsorption on paper by around 50% and prevented enzyme desorption upon rewetting of the papers. The thermal deactivation of ALP retained on paper with polymers follows two sequential first order reactions. This was also observed for ALP simply physisorbed on paper. The retention aid polymers instigated a rapid initial deactivation which significantly decreased the longevity of the enzymatic papers. This suggests some enzyme-polymer interaction probably affecting the enzyme tertiary structure. A deactivation mathematical model predicting the enzymatic paper half-life was developed. Crown Copyright 2010. Published by Elsevier B.V. All rights reserved.
ERIC Educational Resources Information Center
Georgia Univ., Athens. Div. of Vocational Education.
This guide describes the requirements for courses in computer-aided design and computer-aided manufacturing (CAD/CAM) that are part of engineering technology programs conducted in vocational-technical schools in Georgia. The guide is organized in five sections. The first section provides a rationale for occupations in design and in production,…
Employment Opportunities for the Handicapped in Programmable Automation.
ERIC Educational Resources Information Center
Swift, Richard; Leneway, Robert
A Computer Integrated Manufacturing System may make it possible for severely disabled people to custom design, machine, and manufacture either wood or metal parts. Programmable automation merges computer aided design, computer aided manufacturing, computer aided engineering, and computer integrated manufacturing systems with automated production…
ERIC Educational Resources Information Center
Havas, George D.
This brief guide to materials in the Library of Congress (LC) on computer aided design and/or computer aided manufacturing lists reference materials and other information sources under 13 headings: (1) brief introductions; (2) LC subject headings used for such materials; (3) textbooks; (4) additional titles; (5) glossaries and handbooks; (6)…
Student Achievement in Computer Programming: Lecture vs Computer-Aided Instruction
ERIC Educational Resources Information Center
Tsai, San-Yun W.; Pohl, Norval F.
1978-01-01
This paper discusses a study of the differences in student learning achievement, as measured by four different types of common performance evaluation techniques, in a college-level computer programming course under three teaching/learning environments: lecture, computer-aided instruction, and lecture supplemented with computer-aided instruction.…
Roberts, Victoria A.; Pique, Michael E.; Hsu, Simon; Li, Sheng; Slupphaug, Geir; Rambo, Robert P.; Jamison, Jonathan W.; Liu, Tong; Lee, Jun H.; Tainer, John A.; Ten Eyck, Lynn F.; Woods, Virgil L.
2012-01-01
X-ray crystallography provides excellent structural data on protein–DNA interfaces, but crystallographic complexes typically contain only small fragments of large DNA molecules. We present a new approach that can use longer DNA substrates and reveal new protein–DNA interactions even in extensively studied systems. Our approach combines rigid-body computational docking with hydrogen/deuterium exchange mass spectrometry (DXMS). DXMS identifies solvent-exposed protein surfaces; docking is used to create a 3-dimensional model of the protein–DNA interaction. We investigated the enzyme uracil-DNA glycosylase (UNG), which detects and cleaves uracil from DNA. UNG was incubated with a 30 bp DNA fragment containing a single uracil, giving the complex with the abasic DNA product. Compared with free UNG, the UNG–DNA complex showed increased solvent protection at the UNG active site and at two regions outside the active site: residues 210–220 and 251–264. Computational docking also identified these two DNA-binding surfaces, but neither shows DNA contact in UNG–DNA crystallographic structures. Our results can be explained by separation of the two DNA strands on one side of the active site. These non-sequence-specific DNA-binding surfaces may aid local uracil search, contribute to binding the abasic DNA product and help present the DNA product to APE-1, the next enzyme on the DNA-repair pathway. PMID:22492624
RxnSim: a tool to compare biochemical reactions.
Giri, Varun; Sivakumar, Tadi Venkata; Cho, Kwang Myung; Kim, Tae Yong; Bhaduri, Anirban
2015-11-15
: Quantitative assessment of chemical reaction similarity aids database searches, classification of reactions and identification of candidate enzymes. Most methods evaluate reaction similarity based on chemical transformation patterns. We describe a tool, RxnSim, which computes reaction similarity based on the molecular signatures of participating molecules. The tool is able to compare reactions based on similarities of substrates and products in addition to their transformation. It allows masking of user-defined chemical moieties for weighted similarity computations. RxnSim is implemented in R and is freely available from the Comprehensive R Archive Network, CRAN (http://cran.r-project.org/web/packages/RxnSim/). anirban.b@samsung.com or ty76.kim@samsung.com Supplementary data are available at Bioinformatics online. © The Author 2015. Published by Oxford University Press. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com.
Silicon Wafer Advanced Packaging (SWAP). Multichip Module (MCM) Foundry Study. Version 2
1991-04-08
Next Layer Dielectric Spacing - Additional Metal Thickness Impact on Dielectric Uniformity/Adhiesion. The first step in .!Ie EPerimental design would be... design CAM - computer aided manufacturing CAE - computer aided engineering CALCE - computer aided life cycle engineering center CARMA - computer aided...expansion 5 j- CVD - chemical vapor deposition J . ..- j DA - design automation J , DEC - Digital Equipment Corporation --- DFT - design for testability
The application of computer-aided technologies in automotive styling design
NASA Astrophysics Data System (ADS)
Zheng, Ze-feng; Zhang, Ji; Zheng, Ying
2012-04-01
In automotive industry, outline design is its life and creative design is its soul indeed. Computer-aided technology has been widely used in the automotive industry and more and more attention has been paid. This paper chiefly introduce the application of computer-aided technologies including CAD, CAM and CAE, analyses the process of automotive structural design and describe the development tendency of computer-aided design.
Al-Balas, Qosay A; Sowaileh, Munia F; Hassan, Mohammad A; Qandil, Amjad M; Alzoubi, Karem H; Mhaidat, Nizar M; Almaaytah, Ammar M; Khabour, Omar F
2014-01-01
The dipeptidyl peptidase-IV (DPP-IV) enzyme is considered a pivotal target for controlling normal blood sugar levels in the body. Incretins secreted in response to ingestion of meals enhance insulin release to the blood, and DPP-IV inactivates these incretins within a short period and stops their action. Inhibition of this enzyme escalates the action of incretins and induces more insulin to achieve better glucose control in diabetic patients. Thus, inhibition of this enzyme will lead to better control of blood sugar levels. In this study, computer-aided drug design was used to help establish a novel N-substituted aminobenzamide scaffold as a potential inhibitor of DPP-IV. CDOCKER software available from Discovery Studio 3.5 was used to evaluate a series of designed compounds and assess their mode of binding to the active site of the DPP-IV enzyme. The designed compounds were synthesized and tested against a DPP-IV enzyme kit provided by Enzo Life Sciences. The synthesized compounds were characterized using proton and carbon nuclear magnetic resonance, mass spectrometry, infrared spectroscopy, and determination of melting point. Sixty-nine novel compounds having an N-aminobenzamide scaffold were prepared, with full characterization. Ten of these compounds showed more in vitro activity against DPP-IV than the reference compounds, with the most active compounds scoring 38% activity at 100 μM concentration. The N-aminobenzamide scaffold was shown in this study to be a valid scaffold for inhibiting the DPP-IV enzyme. Continuing work could unravel more active compounds possessing the same scaffold.
Conformational diversity and computational enzyme design
Lassila, Jonathan K.
2010-01-01
The application of computational protein design methods to the design of enzyme active sites offers potential routes to new catalysts and new reaction specificities. Computational design methods have typically treated the protein backbone as a rigid structure for the sake of computational tractability. However, this fixed-backbone approximation introduces its own special challenges for enzyme design and it contrasts with an emerging picture of natural enzymes as dynamic ensembles with multiple conformations and motions throughout a reaction cycle. This review considers the impact of conformational variation and dynamics on computational enzyme design and it highlights new approaches to addressing protein conformational diversity in enzyme design including recent advances in multistate design, backbone flexibility, and computational library design. PMID:20829099
Mitchell, Felicity L; Miles, Steven M; Neres, João; Bichenkova, Elena V; Bryce, Richard A
2010-05-19
Molecular dynamics investigations into active site plasticity of Trypanosoma cruzi trans-sialidase, a protein implicated in Chagas disease, suggest that movement of the Trp(312) loop plays an important role in the enzyme's sialic acid transfer mechanism. The observed Trp(312) flexibility equates to a molecular shovel action, which leads to the expulsion of the donor aglycone leaving group from the catalytic site. These computational simulations provide detailed structural insights into sialyl transfer by the trans-sialidase and may aid the design of inhibitors effective against this neglected tropical disease. Copyright (c) 2010 Biophysical Society. Published by Elsevier Inc. All rights reserved.
Chen, Haoyuan; Piccirilli, Joseph A.; Harris, Michael E.; York, Darrin M.
2016-01-01
Divalent metal ions, due to their ability to stabilize high concentrations of negative charge, are important for RNA folding and catalysis. Detailed models derived from the structures and kinetics of enzymes and from computational simulations have been developed. However, in most cases the specific catalytic modes involving metal ions and their mechanistic roles and effects on transition state structures remains controversial. Valuable information about the nature of the transition state is provided by measurement of kinetic isotope effects (KIEs). However, KIEs reflect changes in all bond vibrational modes that differ between the ground state and transition state. QM calculations are therefore essential for developing structural models of the transition state and evaluating mechanistic alternatives. Herein, we present computational models for Zn2+ binding to RNA 2′O-transphosphorylation reaction models that aid in the interpretation of KIE experiments. Different Zn2+ binding modes produce distinct KIE signatures, and one binding mode involving two zinc ions is in close agreement with KIEs measured for non-enzymatic catalysis by Zn2+ aquo ions alone. Interestingly, the KIE signatures in this specific model are also very close to those in RNase A catalysis. These results allow a quantitative connection to be made between experimental KIE measurements and transition state structure and bonding, and provide insight into RNA 2′O-transphosphorylation reactions catalyzed by metal ions and enzymes. PMID:25812974
Enhancing an appointment diary on a pocket computer for use by people after brain injury.
Wright, P; Rogers, N; Hall, C; Wilson, B; Evans, J; Emslie, H
2001-12-01
People with memory loss resulting from brain injury benefit from purpose-designed memory aids such as appointment diaries on pocket computers. The present study explores the effects of extending the range of memory aids and including games. For 2 months, 12 people who had sustained brain injury were loaned a pocket computer containing three purpose-designed memory aids: diary, notebook and to-do list. A month later they were given another computer with the same memory aids but a different method of text entry (physical keyboard or touch-screen keyboard). Machine order was counterbalanced across participants. Assessment was by interviews during the loan periods, rating scales, performance tests and computer log files. All participants could use the memory aids and ten people (83%) found them very useful. Correlations among the three memory aids were not significant, suggesting individual variation in how they were used. Games did not increase use of the memory aids, nor did loan of the preferred pocket computer (with physical keyboard). Significantly more diary entries were made by people who had previously used other memory aids, suggesting that a better understanding of how to use a range of memory aids could benefit some people with brain injury.
Computational Study on New Natural Compound Inhibitors of Pyruvate Dehydrogenase Kinases
Zhou, Xiaoli; Yu, Shanshan; Su, Jing; Sun, Liankun
2016-01-01
Pyruvate dehydrogenase kinases (PDKs) are key enzymes in glucose metabolism, negatively regulating pyruvate dehyrogenase complex (PDC) activity through phosphorylation. Inhibiting PDKs could upregulate PDC activity and drive cells into more aerobic metabolism. Therefore, PDKs are potential targets for metabolism related diseases, such as cancers and diabetes. In this study, a series of computer-aided virtual screening techniques were utilized to discover potential inhibitors of PDKs. Structure-based screening using Libdock was carried out following by ADME (adsorption, distribution, metabolism, excretion) and toxicity prediction. Molecular docking was used to analyze the binding mechanism between these compounds and PDKs. Molecular dynamic simulation was utilized to confirm the stability of potential compound binding. From the computational results, two novel natural coumarins compounds (ZINC12296427 and ZINC12389251) from the ZINC database were found binding to PDKs with favorable interaction energy and predicted to be non-toxic. Our study provide valuable information of PDK-coumarins binding mechanisms in PDK inhibitor-based drug discovery. PMID:26959013
Computational Study on New Natural Compound Inhibitors of Pyruvate Dehydrogenase Kinases.
Zhou, Xiaoli; Yu, Shanshan; Su, Jing; Sun, Liankun
2016-03-04
Pyruvate dehydrogenase kinases (PDKs) are key enzymes in glucose metabolism, negatively regulating pyruvate dehyrogenase complex (PDC) activity through phosphorylation. Inhibiting PDKs could upregulate PDC activity and drive cells into more aerobic metabolism. Therefore, PDKs are potential targets for metabolism related diseases, such as cancers and diabetes. In this study, a series of computer-aided virtual screening techniques were utilized to discover potential inhibitors of PDKs. Structure-based screening using Libdock was carried out following by ADME (adsorption, distribution, metabolism, excretion) and toxicity prediction. Molecular docking was used to analyze the binding mechanism between these compounds and PDKs. Molecular dynamic simulation was utilized to confirm the stability of potential compound binding. From the computational results, two novel natural coumarins compounds (ZINC12296427 and ZINC12389251) from the ZINC database were found binding to PDKs with favorable interaction energy and predicted to be non-toxic. Our study provide valuable information of PDK-coumarins binding mechanisms in PDK inhibitor-based drug discovery.
Computer-aided design and computer science technology
NASA Technical Reports Server (NTRS)
Fulton, R. E.; Voigt, S. J.
1976-01-01
A description is presented of computer-aided design requirements and the resulting computer science advances needed to support aerospace design. The aerospace design environment is examined, taking into account problems of data handling and aspects of computer hardware and software. The interactive terminal is normally the primary interface between the computer system and the engineering designer. Attention is given to user aids, interactive design, interactive computations, the characteristics of design information, data management requirements, hardware advancements, and computer science developments.
Computer Instructional Aids for Undergraduate Control Education.
ERIC Educational Resources Information Center
Volz, Richard A.; And Others
Engineering is coming to rely more and more heavily upon the computer for computations, analyses, and graphic displays which aid the design process. A general purpose simulation system, the Time-shared Automatic Control Laboratory (TACL), and a set of computer-aided design programs, Control Oriented Interactive Graphic Analysis and Design…
Baurhoo, N; Baurhoo, B; Zhao, X
2011-12-01
An experiment was conducted to compare a commercial corn-soybean meal diet with a pearl millet diet containing less soybean meal (-27%), alone or in combination with exogenous enzymes, on growth performance, jejunal villus development, ileal CP, and AA digestibility, and cecal microbial populations in broilers. One hundred sixty 1-d-old male Ross 508 broilers (5/cage) were randomly allocated to one of the following dietary treatments: 1) a standard corn-soybean meal control diet (CTL); 2) a pearl millet-soybean meal diet (PM); 3) CTL + exogenous enzymes (CE); and 4) PM + exogenous enzymes (PE) with 8 replicate cages/treatment. The PM and PE diets contained less soybean meal because of greater CP and AA contents of pearl millet. All diets were isonitrogenous and isocaloric. Body weight and feed intake were recorded weekly over 35 d. At d 21 and 35, 8 broilers per treatment were euthanized for sample collection and analyses. Gain-to-feed was greater (P < 0.01) for pearl millet- than corn-based diets. Apparent ileal digestibility (AID) of CP and most AA was similar between corn-based and pearl millet-based diets, and enzyme supplementation improved AID of CP (P < 0.01) and most AA at both d 21 and 35. However, for AID of some AA at d 21, the response to enzyme supplementation was less pronounced in broilers fed pearl millet-based diets than those fed corn-based diets (grain × enzyme, P ≤ 0.05). The villus was longer (P < 0.01) in broilers fed PM and PE than CTL and CE at d 35. Similarly, at d 35, lactobacilli loads were greater (P < 0.01) in broilers fed PM and PE than CTL and CE. It is concluded that, in comparison with corn, broiler diets formulated with pearl millet require less soybean meal and can be used to improve growth performance traits, intestinal lactobacilli populations, and villus development, whereas enzyme supplementation increases AID of CP and AA.
1986-07-01
COMPUTER-AIDED OPERATION MANAGEMENT SYSTEM ................. 29 Functions of an Off-Line Computer-Aided Operation Management System Applications of...System Comparisons 85 DISTRIBUTION 5V J. • 0. FIGURES Number Page 1 Hardware Components 21 2 Basic Functions of a Computer-Aided Operation Management System...Plant Visits 26 4 Computer-Aided Operation Management Systems Reviewed for Analysis of Basic Functions 29 5 Progress of Software System Installation and
Fleury, Eduardo F C; Gianini, Ana Claudia; Marcomini, Karem; Oliveira, Vilmar
2018-01-01
To determine the applicability of a computer-aided diagnostic system strain elastography system for the classification of breast masses diagnosed by ultrasound and scored using the criteria proposed by the breast imaging and reporting data system ultrasound lexicon and to determine the diagnostic accuracy and interobserver variability. This prospective study was conducted between March 1, 2016, and May 30, 2016. A total of 83 breast masses subjected to percutaneous biopsy were included. Ultrasound elastography images before biopsy were interpreted by 3 radiologists with and without the aid of computer-aided diagnostic system for strain elastography. The parameters evaluated by each radiologist results were sensitivity, specificity, and diagnostic accuracy, with and without computer-aided diagnostic system for strain elastography. Interobserver variability was assessed using a weighted κ test and an intraclass correlation coefficient. The areas under the receiver operating characteristic curves were also calculated. The areas under the receiver operating characteristic curve were 0.835, 0.801, and 0.765 for readers 1, 2, and 3, respectively, without computer-aided diagnostic system for strain elastography, and 0.900, 0.926, and 0.868, respectively, with computer-aided diagnostic system for strain elastography. The intraclass correlation coefficient between the 3 readers was 0.6713 without computer-aided diagnostic system for strain elastography and 0.811 with computer-aided diagnostic system for strain elastography. The proposed computer-aided diagnostic system for strain elastography system has the potential to improve the diagnostic performance of radiologists in breast examination using ultrasound associated with elastography.
ERIC Educational Resources Information Center
Cheng, Wan-Lee
This instructional manual contains 12 learning activity packets for use in a workshop in computer-aided design and drafting (CADD). The lessons cover the following topics: introduction to computer graphics and computer-aided design/drafting; coordinate systems; advance space graphics hardware configuration and basic features of the IBM PC…
RASCAL: A Rudimentary Adaptive System for Computer-Aided Learning.
ERIC Educational Resources Information Center
Stewart, John Christopher
Both the background of computer-assisted instruction (CAI) systems in general and the requirements of a computer-aided learning system which would be a reasonable assistant to a teacher are discussed. RASCAL (Rudimentary Adaptive System for Computer-Aided Learning) is a first attempt at defining a CAI system which would individualize the learning…
Caceres, Diego H; Scheel, Christina M; Tobón, Angela M; Ahlquist Cleveland, Angela; Restrepo, Angela; Brandt, Mary E; Chiller, Tom; Gómez, Beatriz L
2014-09-01
We validated an antigen capture enzyme-linked immunosorbent assay (ELISA) in Colombian persons with AIDS and proven histoplasmosis and evaluated the correlation between antigenuria and clinical improvement during follow-up. The sensitivity of the Histoplasma capsulatum ELISA was 86%, and the overall specificity was 94%. The antigen test successfully monitored the response to therapy. Copyright © 2014, American Society for Microbiology. All Rights Reserved.
Plummer, Scott M; Plummer, Mark A; Merkel, Patricia A; Hagen, Moira; Biddle, Jennifer F; Waidner, Lisa A
2016-11-01
Hydrogenases are enzymes that play a key role in controlling excess reducing equivalents in both photosynthetic and anaerobic organisms. This enzyme is viewed as potentially important for the industrial generation of hydrogen gas; however, insufficient hydrogen production has impeded its use in a commercial process. Here, we explore the potential to circumvent this problem by directly evolving the Fe-Fe hydrogenase genes from two species of Clostridia bacteria. In addition, a computational model based on these mutant sequences was developed and used as a predictive aid for the isolation of enzymes with even greater efficiency in hydrogen production. Two of the improved mutants have a logarithmic increase in hydrogen production in our in vitro assay. Furthermore, the model predicts hydrogenase sequences with hydrogen productions as high as 540-fold over the positive control. Taken together, these results demonstrate the potential of directed evolution to improve the native bacterial hydrogenases as a first step for improvement of hydrogenase activity, further in silico prediction, and finally, construction and demonstration of an improved algal hydrogenase in an in vivo assay of C. reinhardtii hydrogen production. Copyright © 2016 Elsevier Inc. All rights reserved.
Fischer, Nicholas G.; Wong, Jeffrey; Cerutis, D. Roselyn
2017-01-01
Mucosal seal formation around dental abutments is critical to the successful integration of dental implants into the human oral cavity. No information exists for how clinically relevant polishing procedures for computer-aided design and computer-aided manufactured (CAD/CAM) zirconia abutments affects cellular responses important to mucosal seal formation. CAD/CAM zirconia was divided into four groups for clinically relevant polishing utilizing commercial polishing heads: control, coarse, coarse plus medium, and coarse plus medium plus fine. Surfaces were analyzed with scanning electron microscopy (SEM), atomic force microscopy (AFM), and optical profilometry (OP). Subsequently, human gingival fibroblasts (HGFs) were seeded onto the zirconia surfaces. Proliferation was measured via a quantitative SEM technique and focal adhesion kinase (FAK) phosphorylation status was measured by an enzyme-linked immunosorbent assay (ELISA). Results showed an increase in proliferation on all polished surfaces as compared to the control. Phosphorylation of FAK at tyrosine 397 (Y397) was up-modulated on the control surfaces. The associated cell adaptation is discussed. In all cases, FAK phosphorylation was greater at 24 h than 48 h. These results suggest that clinicians should be mindful of the effects of abutment polishing methodology, as this may have an impact on early mucosal seal formation. PMID:29186907
Computer-Aided Drug Discovery: Molecular Docking of Diminazene Ligands to DNA Minor Groove
ERIC Educational Resources Information Center
Kholod, Yana; Hoag, Erin; Muratore, Katlynn; Kosenkov, Dmytro
2018-01-01
The reported project-based laboratory unit introduces upper-division undergraduate students to the basics of computer-aided drug discovery as a part of a computational chemistry laboratory course. The students learn to perform model binding of organic molecules (ligands) to the DNA minor groove with computer-aided drug discovery (CADD) tools. The…
Müller-Matthesius, R
1975-05-01
The sensitivity of enzyme kinetic substrate determinations can be improved with the aid of competitive inhibitors. As an example, the determination of glucose dehydrogenase in the presence of potassium thiocyanate is described. The method has the advantage of rapid operation with satisfactory precision.
Theoretical study of Escherichia coli peptide deformylase inhibition by several drugs.
Chikhi, Abdelouahab; Bensegueni, Abderrahmane; Boulahrouf, Abderrahmane; Bencharif, Mustapha
2006-01-01
Because peptide deformylase (PDF) is essential for the initiation of translation in eubacteria but not in eukaryotes, it is a potentially interesting target for antibiotics. Computer simulation using docking software can be used to model protein-ligand interactions, and in this brief report we describe its use in optimizing the design in PDF-directed inhibitors. PDF was used as target for a set of five inhibitors with substantial structural differences. Docking results show that the compound 1BB2 (actinonin) binds with high affinity to the enzyme and produces the most stable complex, forming nine hydrogen bonds with the enzyme active site. Its binding energy is DeltaG = -31.880 kJ/mol. The modeling study shows that when the methyl group of 1BB2 is replaced with an amine group, the binding energy is increased to -35.316 kJ/mole. This enhancement is more marked (DeltaG = -41.141 kJ/mol) when the propyl group and the five-membered ring of 1BB2 are replaced by an amide group and a phenyl ring, respectively. We describe an attempt to design better antibiotics on the basis of a computer-aided simulation of the interaction between a drug and its target molecule.
Protease inhibitors as potential therapeutic agents for AIDS.
Jamjoom, G A
1991-09-01
A decade since the epidemic of the acquired immunodeficiency syndrome (AIDS) was first recognized, a wealth of information has accumulated on the molecular biology of the causative agents, the human immunodeficiency viruses (HIV). Of particular interest is knowledge of the viral enzymes involved in the formation of new virus particles. Such enzymes constitute attractive targets for efforts aimed at selecting agents that interfere with virus multiplication and subsequent spread and pathogenesis. Already, several agents that inhibit the viral reverse transcriptase (e.g., nucleoside analogs such as Zidovudine) have proved to have a beneficial effect on the course off the disease, but their prolonged use has been associated with significant toxicity and the emergence of resistant mutants. A second enzyme that has recently attracted attention is the virus-coded protease. This enzyme is involved in the cleavage of viral precursor polyproteins into the final products that constitute the mature virus particle. Protease inhibitors interfere with the process of virus maturation which is required for the formation of infective virus particles. Several custom-made inhibitors with a high selective action against HIV protease have been produced recently. They are nonhydrolyzable peptide analogs that mimic the cleavage sequences of the natural substrate of the enzyme during the transition state of the cleavage reaction. It is hoped that a similar selectivity in vivo may make protease inhibitors a promising new category of AIDS therapeutics.
NASA Technical Reports Server (NTRS)
Kolb, Mark A.
1990-01-01
Viewgraphs on Rubber Airplane: Constraint-based Component-Modeling for Knowledge Representation in Computer Aided Conceptual Design are presented. Topics covered include: computer aided design; object oriented programming; airfoil design; surveillance aircraft; commercial aircraft; aircraft design; and launch vehicles.
Wei, Xuelei; Dong, Fuhui
2011-12-01
To review recent advance in the research and application of computer aided forming techniques for constructing bone tissue engineering scaffolds. The literature concerning computer aided forming techniques for constructing bone tissue engineering scaffolds in recent years was reviewed extensively and summarized. Several studies over last decade have focused on computer aided forming techniques for bone scaffold construction using various scaffold materials, which is based on computer aided design (CAD) and bone scaffold rapid prototyping (RP). CAD include medical CAD, STL, and reverse design. Reverse design can fully simulate normal bone tissue and could be very useful for the CAD. RP techniques include fused deposition modeling, three dimensional printing, selected laser sintering, three dimensional bioplotting, and low-temperature deposition manufacturing. These techniques provide a new way to construct bone tissue engineering scaffolds with complex internal structures. With rapid development of molding and forming techniques, computer aided forming techniques are expected to provide ideal bone tissue engineering scaffolds.
The Impact of Machine Translation and Computer-aided Translation on Translators
NASA Astrophysics Data System (ADS)
Peng, Hao
2018-03-01
Under the context of globalization, communications between countries and cultures are becoming increasingly frequent, which make it imperative to use some techniques to help translate. This paper is to explore the influence of computer-aided translation on translators, which is derived from the field of the computer-aided translation (CAT) and machine translation (MT). Followed by an introduction to the development of machine and computer-aided translation, it then depicts the technologies practicable to translators, which are trying to analyze the demand of designing the computer-aided translation so far in translation practice, and optimize the designation of computer-aided translation techniques, and analyze its operability in translation. The findings underline the advantages and disadvantages of MT and CAT tools, and the serviceability and future development of MT and CAT technologies. Finally, this thesis probes into the impact of these new technologies on translators in hope that more translators and translation researchers can learn to use such tools to improve their productivity.
Segment swapping aided the evolution of enzyme function: The case of uroporphyrinogen III synthase.
Szilágyi, András; Györffy, Dániel; Závodszky, Péter
2017-01-01
In an earlier study, we showed that two-domain segment-swapped proteins can evolve by domain swapping and fusion, resulting in a protein with two linkers connecting its domains. We proposed that a potential evolutionary advantage of this topology may be the restriction of interdomain motions, which may facilitate domain closure by a hinge-like movement, crucial for the function of many enzymes. Here, we test this hypothesis computationally on uroporphyrinogen III synthase, a two-domain segment-swapped enzyme essential in porphyrin metabolism. To compare the interdomain flexibility between the wild-type, segment-swapped enzyme (having two interdomain linkers) and circular permutants of the same enzyme having only one interdomain linker, we performed geometric and molecular dynamics simulations for these species in their ligand-free and ligand-bound forms. We find that in the ligand-free form, interdomain motions in the wild-type enzyme are significantly more restricted than they would be with only one interdomain linker, while the flexibility difference is negligible in the ligand-bound form. We also estimated the entropy costs of ligand binding associated with the interdomain motions, and find that the change in domain connectivity due to segment swapping results in a reduction of this entropy cost, corresponding to ∼20% of the total ligand binding free energy. In addition, the restriction of interdomain motions may also help the functional domain-closure motion required for catalysis. This suggests that the evolution of the segment-swapped topology facilitated the evolution of enzyme function for this protein by influencing its dynamic properties. Proteins 2016; 85:46-53. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.
Attributes Affecting Computer-Aided Decision Making--A Literature Survey.
ERIC Educational Resources Information Center
Moldafsky, Neil I; Kwon, Ik-Whan
1994-01-01
Reviews current literature about personal, demographic, situational, and cognitive attributes that affect computer-aided decision making. The effectiveness of computer-aided decision making is explored in relation to decision quality, effectiveness, and confidence. Studies of the effects of age, anxiety, cognitive type, attitude, gender, and prior…
User-Centered Computer Aided Language Learning
ERIC Educational Resources Information Center
Zaphiris, Panayiotis, Ed.; Zacharia, Giorgos, Ed.
2006-01-01
In the field of computer aided language learning (CALL), there is a need for emphasizing the importance of the user. "User-Centered Computer Aided Language Learning" presents methodologies, strategies, and design approaches for building interfaces for a user-centered CALL environment, creating a deeper understanding of the opportunities and…
Hearing Impairments. Tech Use Guide: Using Computer Technology.
ERIC Educational Resources Information Center
Council for Exceptional Children, Reston, VA. Center for Special Education Technology.
One of nine brief guides for special educators on using computer technology, this guide focuses on advances in electronic aids, computers, telecommunications, and videodiscs to assist students with hearing impairments. Electronic aids include hearing aids, telephone devices for the deaf, teletypes, closed captioning systems for television, and…
NASA Astrophysics Data System (ADS)
Nishiyama, Katsuhiko
2018-05-01
Using artificial intelligence, the binding styles of 167 tetrapeptides were predicted in the active site of papain and cathepsin K. Five tetrapeptides (Asn-Leu-Lys-Trp, Asp-Gln-Trp-Gly, Cys-Gln-Leu-Arg, Gln-Leu-Trp-Thr and Arg-Ser-Glu-Arg) were found to bind sites near the active center of both papain and cathepsin K. These five tetrapeptides have the potential to also bind sites of other cysteine proteases, and structural characteristics of these tetrapeptides should aid the design of a common inhibitor of cysteine proteases. Smart application of artificial intelligence should accelerate data mining of important complex systems.
Computer Aided Design in Engineering Education.
ERIC Educational Resources Information Center
Gobin, R.
1986-01-01
Discusses the use of Computer Aided Design (CAD) and Computer Aided Manufacturing (CAM) systems in an undergraduate engineering education program. Provides a rationale for CAD/CAM use in the already existing engineering program. Describes the methods used in choosing the systems, some initial results, and warnings for first-time users. (TW)
Yoon, Hyung-In; Han, Jung-Suk
2016-02-01
The fabrication of dental prostheses with computer-aided design and computer-aided manufacturing shows acceptable marginal fits and favorable treatment outcomes. This clinical report describes the management of a patient who had undergone a mandibulectomy and received an implant-supported fixed prosthesis by using additive manufacturing for the framework and subtractive manufacturing for the monolithic zirconia restorations. Copyright © 2016 Editorial Council for the Journal of Prosthetic Dentistry. Published by Elsevier Inc. All rights reserved.
ERIC Educational Resources Information Center
Hudson, C. A.
1982-01-01
Advances in factory computerization (computer-aided design and computer-aided manufacturing) are reviewed, including discussions of robotics, human factors engineering, and the sociological impact of automation. (JN)
ERIC Educational Resources Information Center
Deutch, Charles E.
2007-01-01
Degradative enzymes in over-the-counter products from pharmacies and health food stores provide good examples of biological catalysis. These include [beta]-galactosidase in Lactaid[TM], [alpha]-galactosidase in Beano[R], [alpha]-amylase and proteases in digestive aids, and proteases in contact lens cleaners. These enzymes can be studied…
Biomolecular computers with multiple restriction enzymes.
Sakowski, Sebastian; Krasinski, Tadeusz; Waldmajer, Jacek; Sarnik, Joanna; Blasiak, Janusz; Poplawski, Tomasz
2017-01-01
The development of conventional, silicon-based computers has several limitations, including some related to the Heisenberg uncertainty principle and the von Neumann "bottleneck". Biomolecular computers based on DNA and proteins are largely free of these disadvantages and, along with quantum computers, are reasonable alternatives to their conventional counterparts in some applications. The idea of a DNA computer proposed by Ehud Shapiro's group at the Weizmann Institute of Science was developed using one restriction enzyme as hardware and DNA fragments (the transition molecules) as software and input/output signals. This computer represented a two-state two-symbol finite automaton that was subsequently extended by using two restriction enzymes. In this paper, we propose the idea of a multistate biomolecular computer with multiple commercially available restriction enzymes as hardware. Additionally, an algorithmic method for the construction of transition molecules in the DNA computer based on the use of multiple restriction enzymes is presented. We use this method to construct multistate, biomolecular, nondeterministic finite automata with four commercially available restriction enzymes as hardware. We also describe an experimental applicaton of this theoretical model to a biomolecular finite automaton made of four endonucleases.
Bawa, Priya; Choonara, Yahya E; du Toit, Lisa C; Kumar, Pradeep; Ndesendo, Valence M K; Meyer, Leith C R; Pillay, Viness
2013-03-28
The study focussed on designing a Stimuli-Synchronized Matrix (SSM) for space-defined colonic delivery of the anti-inflammatory drug mesalamine. The configured matrix provided time-independent delivery and stimuli targeting. Formulations were optimized according to a Box-Behnken experimental design that constituted mesalamine-loaded BaSO4-crosslinked chitosan dispersed within a pectin, carboxymethylcellulose and xanthan gum complex. The complex was compressed into matrices and subsequently alloy-treated with pectin and ethylcellulose. In vitro drug release was determined in the presence and absence of colonic enzymes and the mean dissolution time was used for formulation optimization. To mechanistically elucidate the synchronous catalytic action of the enzymes pectinase and glucosidase on the matrix, computer-aided 3D modelling of active fractions of the enzyme-substrate complexes was generated to predict the orientation of residues affecting the substrate domain. Drug release profiles revealed distinct colonic enzyme responsiveness with fractions of 0.402 and 0.152 of mesalamine released in the presence and absence of enzymes, respectively after 24h. The commercial comparator product showed irreproducible release profiles over the same period (SD=0.550) compared to the SSM formulation (SD=0.037). FTIR spectra of alloy-treated matrices showed no peaks from 1589 to 1512cm(-1) after colonic enzyme exposure. With increasing enzyme exposure there were also no peaks between 1646 and 1132cm(-1). This indicated polymeric enzyme cleavage for controlled and space-defined release of mesalamine. Plasma concentration profiles in the Large White pig model produced a Cmax of 3.77±1.375μg/mL compared to 10.604±2.846μg/mL for the comparator formulation. The SSM formulation proved superior over the comparator product by providing superiorly controlled enzyme-responsive colonic drug delivery. Copyright © 2012 Elsevier B.V. All rights reserved.
The Effects of Computer-Aided Design Software on Engineering Students' Spatial Visualisation Skills
ERIC Educational Resources Information Center
Kösa, Temel; Karakus, Fatih
2018-01-01
The purpose of this study was to determine the influence of computer-aided design (CAD) software-based instruction on the spatial visualisation skills of freshman engineering students in a computer-aided engineering drawing course. A quasi-experimental design was applied, using the Purdue Spatial Visualization Test-Visualization of Rotations…
Teaching Computer-Aided Design of Fluid Flow and Heat Transfer Engineering Equipment.
ERIC Educational Resources Information Center
Gosman, A. D.; And Others
1979-01-01
Describes a teaching program for fluid mechanics and heat transfer which contains both computer aided learning (CAL) and computer aided design (CAD) components and argues that the understanding of the physical and numerical modeling taught in the CAL course is essential to the proper implementation of CAD. (Author/CMV)
Computer-Presented Organizational/Memory Aids as Instruction for Solving Pico-Fomi Problems.
ERIC Educational Resources Information Center
Steinberg, Esther R.; And Others
1985-01-01
Describes investigation of effectiveness of computer-presented organizational/memory aids (matrix and verbal charts controlled by computer or learner) as instructional technique for solving Pico-Fomi problems, and the acquisition of deductive inference rules when such aids are present. Results indicate chart use control should be adapted to…
Computer-aided design development transition for IPAD environment
NASA Technical Reports Server (NTRS)
Owens, H. G.; Mock, W. D.; Mitchell, J. C.
1980-01-01
The relationship of federally sponsored computer-aided design/computer-aided manufacturing (CAD/CAM) programs to the aircraft life cycle design process, an overview of NAAD'S CAD development program, an evaluation of the CAD design process, a discussion of the current computing environment within which NAAD is developing its CAD system, some of the advantages/disadvantages of the NAAD-IPAD approach, and CAD developments during transition into the IPAD system are discussed.
CAD/CAE Integration Enhanced by New CAD Services Standard
NASA Technical Reports Server (NTRS)
Claus, Russell W.
2002-01-01
A Government-industry team led by the NASA Glenn Research Center has developed a computer interface standard for accessing data from computer-aided design (CAD) systems. The Object Management Group, an international computer standards organization, has adopted this CAD services standard. The new standard allows software (e.g., computer-aided engineering (CAE) and computer-aided manufacturing software to access multiple CAD systems through one programming interface. The interface is built on top of a distributed computing system called the Common Object Request Broker Architecture (CORBA). CORBA allows the CAD services software to operate in a distributed, heterogeneous computing environment.
Investigations in Computer-Aided Instruction and Computer-Aided Controls. Final Report.
ERIC Educational Resources Information Center
Rosenberg, R.C.; And Others
These research projects, designed to delve into certain relationships between humans and computers, are focused on computer-assisted instruction and on man-computer interaction. One study demonstrates that within the limits of formal engineering theory, a computer simulated laboratory (Dynamic Systems Laboratory) can be built in which freshmen…
ERIC Educational Resources Information Center
Sinn, John W.
This instructional manual contains five learning activity packets for use in a workshop on computer numerical control for computer-aided manufacturing. The lessons cover the following topics: introduction to computer-aided manufacturing, understanding the lathe, using the computer, computer numerically controlled part programming, and executing a…
Software and resources for computational medicinal chemistry
Liao, Chenzhong; Sitzmann, Markus; Pugliese, Angelo; Nicklaus, Marc C
2011-01-01
Computer-aided drug design plays a vital role in drug discovery and development and has become an indispensable tool in the pharmaceutical industry. Computational medicinal chemists can take advantage of all kinds of software and resources in the computer-aided drug design field for the purposes of discovering and optimizing biologically active compounds. This article reviews software and other resources related to computer-aided drug design approaches, putting particular emphasis on structure-based drug design, ligand-based drug design, chemical databases and chemoinformatics tools. PMID:21707404
Yang, J; Feng, H L
2018-04-09
With the rapid development of the chair-side computer aided design and computer aided manufacture (CAD/CAM) technology, its accuracy and operability of have been greatly improved in recent years. Chair-side CAD/CAM system may produce all kinds of indirect restorations, and has the advantages of rapid, accurate and stable production. It has become the future development direction of Stomatology. This paper describes the clinical application of the chair-side CAD/CAM technology for anterior aesthetic restorations from the aspects of shade and shape.
Yu, Q
2018-04-09
Computer aided design and computer aided manufacture (CAD/CAM) technology is a kind of oral digital system which is applied to clinical diagnosis and treatment. It overturns the traditional pattern, and provides a solution to restore defect tooth quickly and efficiently. In this paper we mainly discuss the clinical skills of chair-side CAD/CAM system, including tooth preparation, digital impression, the three-dimensional design of prosthesis, numerical control machining, clinical bonding and so on, and review the outcomes of several common kinds of materials at the same time.
ERIC Educational Resources Information Center
Wilkinson-Riddle, G. J.; Patel, Ashok
1998-01-01
Discusses courseware development, including intelligent tutoring systems, under the Teaching and Learning Technology Programme and the Byzantium project that was designed to define computer-aided learning performance standards suitable for numerate business subjects; examine reasons to use computer-aided learning; and improve access to educational…
Enhancing Engineering Computer-Aided Design Education Using Lectures Recorded on the PC
ERIC Educational Resources Information Center
McGrann, Roy T. R.
2006-01-01
Computer-Aided Engineering (CAE) is a course that is required during the third year in the mechanical engineering curriculum at Binghamton University. The primary objective of the course is to educate students in the procedures of computer-aided engineering design. The solid modeling and analysis program Pro/Engineer[TM] (PTC[R]) is used as the…
Key Issues in Instructional Computer Graphics.
ERIC Educational Resources Information Center
Wozny, Michael J.
1981-01-01
Addresses key issues facing universities which plan to establish instructional computer graphics facilities, including computer-aided design/computer aided manufacturing systems, role in curriculum, hardware, software, writing instructional software, faculty involvement, operations, and research. Thirty-seven references and two appendices are…
Kern, Marcelo; McGeehan, John E; Streeter, Simon D; Martin, Richard N A; Besser, Katrin; Elias, Luisa; Eborall, Will; Malyon, Graham P; Payne, Christina M; Himmel, Michael E; Schnorr, Kirk; Beckham, Gregg T; Cragg, Simon M; Bruce, Neil C; McQueen-Mason, Simon J
2013-06-18
Nature uses a diversity of glycoside hydrolase (GH) enzymes to convert polysaccharides to sugars. As lignocellulosic biomass deconstruction for biofuel production remains costly, natural GH diversity offers a starting point for developing industrial enzymes, and fungal GH family 7 (GH7) cellobiohydrolases, in particular, provide significant hydrolytic potential in industrial mixtures. Recently, GH7 enzymes have been found in other kingdoms of life besides fungi, including in animals and protists. Here, we describe the in vivo spatial expression distribution, properties, and structure of a unique endogenous GH7 cellulase from an animal, the marine wood borer Limnoria quadripunctata (LqCel7B). RT-quantitative PCR and Western blot studies show that LqCel7B is expressed in the hepatopancreas and secreted into the gut for wood degradation. We produced recombinant LqCel7B, with which we demonstrate that LqCel7B is a cellobiohydrolase and obtained four high-resolution crystal structures. Based on a crystallographic and computational comparison of LqCel7B to the well-characterized Hypocrea jecorina GH7 cellobiohydrolase, LqCel7B exhibits an extended substrate-binding motif at the tunnel entrance, which may aid in substrate acquisition and processivity. Interestingly, LqCel7B exhibits striking surface charges relative to fungal GH7 enzymes, which likely results from evolution in marine environments. We demonstrate that LqCel7B stability and activity remain unchanged, or increase at high salt concentration, and that the L. quadripunctata GH mixture generally contains cellulolytic enzymes with highly acidic surface charge compared with enzymes derived from terrestrial microbes. Overall, this study suggests that marine cellulases offer significant potential for utilization in high-solids industrial biomass conversion processes.
Kern, Marcelo; McGeehan, John E.; Streeter, Simon D.; Martin, Richard N. A.; Besser, Katrin; Elias, Luisa; Eborall, Will; Malyon, Graham P.; Payne, Christina M.; Himmel, Michael E.; Schnorr, Kirk; Beckham, Gregg T.; Cragg, Simon M.; Bruce, Neil C.; McQueen-Mason, Simon J.
2013-01-01
Nature uses a diversity of glycoside hydrolase (GH) enzymes to convert polysaccharides to sugars. As lignocellulosic biomass deconstruction for biofuel production remains costly, natural GH diversity offers a starting point for developing industrial enzymes, and fungal GH family 7 (GH7) cellobiohydrolases, in particular, provide significant hydrolytic potential in industrial mixtures. Recently, GH7 enzymes have been found in other kingdoms of life besides fungi, including in animals and protists. Here, we describe the in vivo spatial expression distribution, properties, and structure of a unique endogenous GH7 cellulase from an animal, the marine wood borer Limnoria quadripunctata (LqCel7B). RT-quantitative PCR and Western blot studies show that LqCel7B is expressed in the hepatopancreas and secreted into the gut for wood degradation. We produced recombinant LqCel7B, with which we demonstrate that LqCel7B is a cellobiohydrolase and obtained four high-resolution crystal structures. Based on a crystallographic and computational comparison of LqCel7B to the well-characterized Hypocrea jecorina GH7 cellobiohydrolase, LqCel7B exhibits an extended substrate-binding motif at the tunnel entrance, which may aid in substrate acquisition and processivity. Interestingly, LqCel7B exhibits striking surface charges relative to fungal GH7 enzymes, which likely results from evolution in marine environments. We demonstrate that LqCel7B stability and activity remain unchanged, or increase at high salt concentration, and that the L. quadripunctata GH mixture generally contains cellulolytic enzymes with highly acidic surface charge compared with enzymes derived from terrestrial microbes. Overall, this study suggests that marine cellulases offer significant potential for utilization in high-solids industrial biomass conversion processes. PMID:23733951
MICROBIAL ENZYME ACTIVITY FOR CHARACTERIZING NUTRIENT LOADING TO GREAT LAKES COASTAL WETLANDS
Energy and material flows in aquatic ecosystems are mediated by microbial carbon and nutrient cycling. Extracellular enzymes produced by the microbial community aid in the degradation of organic matter and the resultant acquisition of limiting nutrients. Organic carbon sequestrat...
Computer Programming Languages and Expertise Needed by Practicing Engineers.
ERIC Educational Resources Information Center
Doelling, Irvin
1980-01-01
Discussed is the present engineering computer environment of a large aerospace company recognized as a leader in the application and development of computer-aided design and computer-aided manufacturing techniques. A review is given of the exposure spectrum of engineers to the world of computing, the computer languages used, and the career impacts…
Biomolecular computers with multiple restriction enzymes
Sakowski, Sebastian; Krasinski, Tadeusz; Waldmajer, Jacek; Sarnik, Joanna; Blasiak, Janusz; Poplawski, Tomasz
2017-01-01
Abstract The development of conventional, silicon-based computers has several limitations, including some related to the Heisenberg uncertainty principle and the von Neumann “bottleneck”. Biomolecular computers based on DNA and proteins are largely free of these disadvantages and, along with quantum computers, are reasonable alternatives to their conventional counterparts in some applications. The idea of a DNA computer proposed by Ehud Shapiro’s group at the Weizmann Institute of Science was developed using one restriction enzyme as hardware and DNA fragments (the transition molecules) as software and input/output signals. This computer represented a two-state two-symbol finite automaton that was subsequently extended by using two restriction enzymes. In this paper, we propose the idea of a multistate biomolecular computer with multiple commercially available restriction enzymes as hardware. Additionally, an algorithmic method for the construction of transition molecules in the DNA computer based on the use of multiple restriction enzymes is presented. We use this method to construct multistate, biomolecular, nondeterministic finite automata with four commercially available restriction enzymes as hardware. We also describe an experimental applicaton of this theoretical model to a biomolecular finite automaton made of four endonucleases. PMID:29064510
The CoFactor database: organic cofactors in enzyme catalysis.
Fischer, Julia D; Holliday, Gemma L; Thornton, Janet M
2010-10-01
Organic enzyme cofactors are involved in many enzyme reactions. Therefore, the analysis of cofactors is crucial to gain a better understanding of enzyme catalysis. To aid this, we have created the CoFactor database. CoFactor provides a web interface to access hand-curated data extracted from the literature on organic enzyme cofactors in biocatalysis, as well as automatically collected information. CoFactor includes information on the conformational and solvent accessibility variation of the enzyme-bound cofactors, as well as mechanistic and structural information about the hosting enzymes. The database is publicly available and can be accessed at http://www.ebi.ac.uk/thornton-srv/databases/CoFactor.
NASA Astrophysics Data System (ADS)
Traverso, A.; Lopez Torres, E.; Fantacci, M. E.; Cerello, P.
2017-05-01
Lung cancer is one of the most lethal types of cancer, because its early diagnosis is not good enough. In fact, the detection of pulmonary nodule, potential lung cancers, in Computed Tomography scans is a very challenging and time-consuming task for radiologists. To support radiologists, researchers have developed Computer-Aided Diagnosis (CAD) systems for the automated detection of pulmonary nodules in chest Computed Tomography scans. Despite the high level of technological developments and the proved benefits on the overall detection performance, the usage of Computer-Aided Diagnosis in clinical practice is far from being a common procedure. In this paper we investigate the causes underlying this discrepancy and present a solution to tackle it: the M5L WEB- and Cloud-based on-demand Computer-Aided Diagnosis. In addition, we prove how the combination of traditional imaging processing techniques with state-of-art advanced classification algorithms allows to build a system whose performance could be much larger than any Computer-Aided Diagnosis developed so far. This outcome opens the possibility to use the CAD as clinical decision support for radiologists.
Computer Assisted Instructional Design for Computer-Based Instruction. Final Report. Working Papers.
ERIC Educational Resources Information Center
Russell, Daniel M.; Pirolli, Peter
Recent advances in artificial intelligence and the cognitive sciences have made it possible to develop successful intelligent computer-aided instructional systems for technical and scientific training. In addition, computer-aided design (CAD) environments that support the rapid development of such computer-based instruction have also been recently…
A review of computer-aided oral and maxillofacial surgery: planning, simulation and navigation.
Chen, Xiaojun; Xu, Lu; Sun, Yi; Politis, Constantinus
2016-11-01
Currently, oral and maxillofacial surgery (OMFS) still poses a significant challenge for surgeons due to the anatomic complexity and limited field of view of the oral cavity. With the great development of computer technologies, he computer-aided surgery has been widely used for minimizing the risks and improving the precision of surgery. Areas covered: The major goal of this paper is to provide a comprehensive reference source of current and future development of computer-aided OMFS including surgical planning, simulation and navigation for relevant researchers. Expert commentary: Compared with the traditional OMFS, computer-aided OMFS overcomes the disadvantage that the treatment on the region of anatomically complex maxillofacial depends almost exclusively on the experience of the surgeon.
Software For Computer-Aided Design Of Control Systems
NASA Technical Reports Server (NTRS)
Wette, Matthew
1994-01-01
Computer Aided Engineering System (CAESY) software developed to provide means to evaluate methods for dealing with users' needs in computer-aided design of control systems. Interpreter program for performing engineering calculations. Incorporates features of both Ada and MATLAB. Designed to be flexible and powerful. Includes internally defined functions, procedures and provides for definition of functions and procedures by user. Written in C language.
NREL Kicks Off Next Phase of Advanced Computer-Aided Battery Engineering |
lithium-ion (Li-ion) batteries, known as a multi-scale multi-domain (GH-MSMD) model framework, was News | NREL Kicks Off Next Phase of Advanced Computer-Aided Battery Engineering NREL Kicks Off Next Phase of Advanced Computer-Aided Battery Engineering March 16, 2016 NREL researcher looks across
Defense Acquisitions Acronyms and Terms
2012-12-01
Computer-Aided Design CADD Computer-Aided Design and Drafting CAE Component Acquisition Executive; Computer-Aided Engineering CAIV Cost As an...Radiation to Ordnance HFE Human Factors Engineering HHA Health Hazard Assessment HNA Host-Nation Approval HNS Host-Nation Support HOL High -Order...Engineering Change Proposal VHSIC Very High Speed Integrated Circuit VLSI Very Large Scale Integration VOC Volatile Organic Compound W WAN Wide
[The automatic iris map overlap technology in computer-aided iridiagnosis].
He, Jia-feng; Ye, Hu-nian; Ye, Miao-yuan
2002-11-01
In the paper, iridology and computer-aided iridiagnosis technologies are briefly introduced and the extraction method of the collarette contour is then investigated. The iris map can be overlapped on the original iris image based on collarette contour extraction. The research on collarette contour extraction and iris map overlap is of great importance to computer-aided iridiagnosis technologies.
New Paradigms for Computer Aids to Invention.
ERIC Educational Resources Information Center
Langston, M. Diane
Many people are interested in computer aids to rhetorical invention and want to know how to evaluate an invention aid, what the criteria are for a good one, and how to assess the trade-offs involved in buying one product or another. The frame of reference for this evaluation is an "old paradigm," which treats the computer as if it were…
Multimedia Image Technology and Computer Aided Manufacturing Engineering Analysis
NASA Astrophysics Data System (ADS)
Nan, Song
2018-03-01
Since the reform and opening up, with the continuous development of science and technology in China, more and more advanced science and technology have emerged under the trend of diversification. Multimedia imaging technology, for example, has a significant and positive impact on computer aided manufacturing engineering in China. From the perspective of scientific and technological advancement and development, the multimedia image technology has a very positive influence on the application and development of computer-aided manufacturing engineering, whether in function or function play. Therefore, this paper mainly starts from the concept of multimedia image technology to analyze the application of multimedia image technology in computer aided manufacturing engineering.
Three-Dimensional Computational Fluid Dynamics
DOE Office of Scientific and Technical Information (OSTI.GOV)
Haworth, D.C.; O'Rourke, P.J.; Ranganathan, R.
1998-09-01
Computational fluid dynamics (CFD) is one discipline falling under the broad heading of computer-aided engineering (CAE). CAE, together with computer-aided design (CAD) and computer-aided manufacturing (CAM), comprise a mathematical-based approach to engineering product and process design, analysis and fabrication. In this overview of CFD for the design engineer, our purposes are three-fold: (1) to define the scope of CFD and motivate its utility for engineering, (2) to provide a basic technical foundation for CFD, and (3) to convey how CFD is incorporated into engineering product and process design.
ERIC Educational Resources Information Center
Insolia, Gerard
This document contains course outlines in computer-aided manufacturing developed for a business-industry technology resource center for firms in eastern Pennsylvania by Northampton Community College. The four units of the course cover the following: (1) introduction to computer-assisted design (CAD)/computer-assisted manufacturing (CAM); (2) CAM…
ERIC Educational Resources Information Center
Meloy, Jim; And Others
1990-01-01
The relationship between computer-aided design (CAD), computer-aided manufacturing (CAM), and computer numerical control (CNC) computer applications is described. Tips for helping educate the CAM buyer on what to look for and what to avoid when searching for the most appropriate instructional CAM package are provided. (KR)
Zhang, Lei; Shen, Shunyao; Yu, Hongbo; Shen, Steve Guofang; Wang, Xudong
2015-07-01
The aim of this study was to investigate the use of computer-aided design and computer-aided manufacturing hydroxyapatite (HA)/epoxide acrylate maleic (EAM) compound construction artificial implants for craniomaxillofacial bone defects. Computed tomography, computer-aided design/computer-aided manufacturing and three-dimensional reconstruction, as well as rapid prototyping were performed in 12 patients between 2008 and 2013. The customized HA/EAM compound artificial implants were manufactured through selective laser sintering using a rapid prototyping machine into the exact geometric shapes of the defect. The HA/EAM compound artificial implants were then implanted during surgical reconstruction. Color-coded superimpositions demonstrated the discrepancy between the virtual plan and achieved results using Geomagic Studio. As a result, the HA/EAM compound artificial bone implants were perfectly matched with the facial areas that needed reconstruction. The postoperative aesthetic and functional results were satisfactory. The color-coded superimpositions demonstrated good consistency between the virtual plan and achieved results. The three-dimensional maximum deviation is 2.12 ± 0.65 mm and the three-dimensional mean deviation is 0.27 ± 0.07 mm. No facial nerve weakness or pain was observed at the follow-up examinations. Only 1 implant had to be removed 2 months after the surgery owing to severe local infection. No other complication was noted during the follow-up period. In conclusion, computer-aided, individually fabricated HA/EAM compound construction artificial implant was a good craniomaxillofacial surgical technique that yielded improved aesthetic results and functional recovery after reconstruction.
Lee, Wan-Sun; Kim, Woong-Chul
2015-01-01
PURPOSE To assess the marginal and internal gaps of the copings fabricated by computer-aided milling and direct metal laser sintering (DMLS) systems in comparison to casting method. MATERIALS AND METHODS Ten metal copings were fabricated by casting, computer-aided milling, and DMLS. Seven mesiodistal and labiolingual positions were then measured, and each of these were divided into the categories; marginal gap (MG), cervical gap (CG), axial wall at internal gap (AG), and incisal edge at internal gap (IG). Evaluation was performed by a silicone replica technique. A digital microscope was used for measurement of silicone layer. Statistical analyses included one-way and repeated measure ANOVA to test the difference between the fabrication methods and categories of measured points (α=.05), respectively. RESULTS The mean gap differed significantly with fabrication methods (P<.001). Casting produced the narrowest gap in each of the four measured positions, whereas CG, AG, and IG proved narrower in computer-aided milling than in DMLS. Thus, with the exception of MG, all positions exhibited a significant difference between computer-aided milling and DMLS (P<.05). CONCLUSION Although the gap was found to vary with fabrication methods, the marginal and internal gaps of the copings fabricated by computer-aided milling and DMLS fell within the range of clinical acceptance (<120 µm). However, the statistically significant difference to conventional casting indicates that the gaps in computer-aided milling and DMLS fabricated restorations still need to be further reduced. PMID:25932310
Park, Jong-Kyoung; Lee, Wan-Sun; Kim, Hae-Young; Kim, Woong-Chul; Kim, Ji-Hwan
2015-04-01
To assess the marginal and internal gaps of the copings fabricated by computer-aided milling and direct metal laser sintering (DMLS) systems in comparison to casting method. Ten metal copings were fabricated by casting, computer-aided milling, and DMLS. Seven mesiodistal and labiolingual positions were then measured, and each of these were divided into the categories; marginal gap (MG), cervical gap (CG), axial wall at internal gap (AG), and incisal edge at internal gap (IG). Evaluation was performed by a silicone replica technique. A digital microscope was used for measurement of silicone layer. Statistical analyses included one-way and repeated measure ANOVA to test the difference between the fabrication methods and categories of measured points (α=.05), respectively. The mean gap differed significantly with fabrication methods (P<.001). Casting produced the narrowest gap in each of the four measured positions, whereas CG, AG, and IG proved narrower in computer-aided milling than in DMLS. Thus, with the exception of MG, all positions exhibited a significant difference between computer-aided milling and DMLS (P<.05). Although the gap was found to vary with fabrication methods, the marginal and internal gaps of the copings fabricated by computer-aided milling and DMLS fell within the range of clinical acceptance (<120 µm). However, the statistically significant difference to conventional casting indicates that the gaps in computer-aided milling and DMLS fabricated restorations still need to be further reduced.
Toward Engineering Synthetic Microbial Metabolism
McArthur, George H.; Fong, Stephen S.
2010-01-01
The generation of well-characterized parts and the formulation of biological design principles in synthetic biology are laying the foundation for more complex and advanced microbial metabolic engineering. Improvements in de novo DNA synthesis and codon-optimization alone are already contributing to the manufacturing of pathway enzymes with improved or novel function. Further development of analytical and computer-aided design tools should accelerate the forward engineering of precisely regulated synthetic pathways by providing a standard framework for the predictable design of biological systems from well-characterized parts. In this review we discuss the current state of synthetic biology within a four-stage framework (design, modeling, synthesis, analysis) and highlight areas requiring further advancement to facilitate true engineering of synthetic microbial metabolism. PMID:20037734
Antiviral therapy: current concepts and practices.
Bean, B
1992-01-01
Drugs capable of inhibiting viruses in vitro were described in the 1950s, but real progress was not made until the 1970s, when agents capable of inhibiting virus-specific enzymes were first identified. The last decade has seen rapid progress in both our understanding of antiviral therapy and the number of antiviral agents on the market. Amantadine and ribavirin are available for treatment of viral respiratory infections. Vidarabine, acyclovir, ganciclovir, and foscarnet are used for systemic treatment of herpesvirus infections, while ophthalmic preparations of idoxuridine, trifluorothymidine, and vidarabine are available for herpes keratitis. For treatment of human immunodeficiency virus infections, zidovudine and didanosine are used. Immunomodulators, such as interferons and colony-stimulating factors, and immunoglobulins are being used increasingly for viral illnesses. While resistance to antiviral drugs has been seen, especially among AIDS patients, it has not become widespread and is being intensely studied. Increasingly, combinations of agents are being used: to achieve synergistic inhibition of viruses, to delay or prevent resistance, and to decrease dosages of toxic drugs. New approaches, such as liposomes carrying antiviral drugs and computer-aided drug design, are exciting and promising prospects for the future. PMID:1576586
A Review of Developments in Computer-Based Systems to Image Teeth and Produce Dental Restorations
Rekow, E. Dianne; Erdman, Arthur G.; Speidel, T. Michael
1987-01-01
Computer-aided design and manufacturing (CAD/CAM) make it possible to automate the creation of dental restorations. Currently practiced techniques are described. Three automated systems currently under development are described and compared. Advances in computer-aided design and computer-aided manufacturing (CAD/CAM) provide a new option for dentistry, creating an alternative technique for producing dental restorations. It is possible to create dental restorations that are automatically produced and meet or exceed current requirements for fit and occlusion.
Photogrammetry and computer-aided piping design
DOE Office of Scientific and Technical Information (OSTI.GOV)
Keneflick, J.F.; Chirillo, R.D.
1985-02-18
Three-dimensional measurements taken from photographs of a plant model can be digitized and linked with computer-aided piping design. This can short-cut the design and construction of new plants and expedite repair and retrofitting projects. Some designers bridge the gap between model and computer by digitizing from orthographic prints obtained via orthography or the laser scanning of model sections. Such valve or fitting then processed is described in this paper. The marriage of photogrammetry and computer-aided piping design can economically produce such numerical drawings.
Integration of the Execution Support System for the Computer-Aided Prototyping System (CAPS)
1990-09-01
SUPPORT SYSTEM FOR THE COMPUTER -AIDED PROTOTYPING SYSTEM (CAPS) by Frank V. Palazzo September 1990 Thesis Advisor: Luq± Approved for public release...ZATON REPOR ,,.VBE (, 6a NAME OF PERPORMING ORGAN ZAT7ON 6b OFF:CE SYVBOL 7a NAME OF MONITORINC O0-CA’Za- ON Computer Science Department (if applicable...Include Security Classification) Integration of the Execution Support System for the Computer -Aided Prototyping System (C S) 12 PERSONAL AUTHOR(S) Frank V
Influence of Computer-Aided Detection on Performance of Screening Mammography
Fenton, Joshua J.; Taplin, Stephen H.; Carney, Patricia A.; Abraham, Linn; Sickles, Edward A.; D'Orsi, Carl; Berns, Eric A.; Cutter, Gary; Hendrick, R. Edward; Barlow, William E.; Elmore, Joann G.
2011-01-01
Background Computer-aided detection identifies suspicious findings on mammograms to assist radiologists. Since the Food and Drug Administration approved the technology in 1998, it has been disseminated into practice, but its effect on the accuracy of interpretation is unclear. Methods We determined the association between the use of computer-aided detection at mammography facilities and the performance of screening mammography from 1998 through 2002 at 43 facilities in three states. We had complete data for 222,135 women (a total of 429,345 mammograms), including 2351 women who received a diagnosis of breast cancer within 1 year after screening. We calculated the specificity, sensitivity, and positive predictive value of screening mammography with and without computer-aided detection, as well as the rates of biopsy and breast-cancer detection and the overall accuracy, measured as the area under the receiver-operating-characteristic (ROC) curve. Results Seven facilities (16%) implemented computer-aided detection during the study period. Diagnostic specificity decreased from 90.2% before implementation to 87.2% after implementation (P<0.001), the positive predictive value decreased from 4.1% to 3.2% (P = 0.01), and the rate of biopsy increased by 19.7% (P<0.001). The increase in sensitivity from 80.4% before implementation of computer-aided detection to 84.0% after implementation was not significant (P = 0.32). The change in the cancer-detection rate (including invasive breast cancers and ductal carcinomas in situ) was not significant (4.15 cases per 1000 screening mammograms before implementation and 4.20 cases after implementation, P = 0.90). Analyses of data from all 43 facilities showed that the use of computer-aided detection was associated with significantly lower overall accuracy than was nonuse (area under the ROC curve, 0.871 vs. 0.919; P = 0.005). Conclusions The use of computer-aided detection is associated with reduced accuracy of interpretation of screening mammograms. The increased rate of biopsy with the use of computer-aided detection is not clearly associated with improved detection of invasive breast cancer. PMID:17409321
NASA Astrophysics Data System (ADS)
Whiteley, Chris G.; Lee, Duu-Jong
2016-09-01
The interaction of gold nanoparticles (AuNP) with human immune-deficiency virus aspartic protease (HIVPR) is modelled using a regime of molecular dynamics simulations. The simulations of the ‘docking’, first as a rigid-body complex, and eventually through flexible-fit analysis, creates 36 different complexes from four initial orientations of the nanoparticle strategically positioned around the surface of the enzyme. The structural deviations of the enzymes from the initial x-ray crystal structure during each docking simulation are assessed by comparative analysis of secondary structural elements, root mean square deviations, B-factors, interactive bonding energies, dihedral angles, radius of gyration (R g), circular dichroism (CD), volume occupied by C α , electrostatic potentials, solvation energies and hydrophobicities. Normalisation of the data narrows the selection from the initial 36 to one ‘final’ probable structure. It is concluded that, after computer simulations on each of the 36 initial complexes incorporating the 12 different biophysical techniques, the top five complexes are the same no matter which technique is explored. The significance of the present work is an expansion of an earlier study on the molecular dynamic simulation for the interaction of HIVPR with silver nanoparticles. This work is supported by experimental evidence since the initial ‘orientation’ of the AgNP with the enzyme is the same as the ‘final’ AuNP-HIVPR complex generated in the present study. The findings will provide insight into the forces of the binding of the HIVPR to AuNP. It is anticipated that the protocol developed in this study will act as a standard process for the interaction of any nanoparticle with any biomedical target.
Whiteley, Chris G; Lee, Duu-Jong
2016-09-09
The interaction of gold nanoparticles (AuNP) with human immune-deficiency virus aspartic protease (HIVPR) is modelled using a regime of molecular dynamics simulations. The simulations of the 'docking', first as a rigid-body complex, and eventually through flexible-fit analysis, creates 36 different complexes from four initial orientations of the nanoparticle strategically positioned around the surface of the enzyme. The structural deviations of the enzymes from the initial x-ray crystal structure during each docking simulation are assessed by comparative analysis of secondary structural elements, root mean square deviations, B-factors, interactive bonding energies, dihedral angles, radius of gyration (R g), circular dichroism (CD), volume occupied by C α , electrostatic potentials, solvation energies and hydrophobicities. Normalisation of the data narrows the selection from the initial 36 to one 'final' probable structure. It is concluded that, after computer simulations on each of the 36 initial complexes incorporating the 12 different biophysical techniques, the top five complexes are the same no matter which technique is explored. The significance of the present work is an expansion of an earlier study on the molecular dynamic simulation for the interaction of HIVPR with silver nanoparticles. This work is supported by experimental evidence since the initial 'orientation' of the AgNP with the enzyme is the same as the 'final' AuNP-HIVPR complex generated in the present study. The findings will provide insight into the forces of the binding of the HIVPR to AuNP. It is anticipated that the protocol developed in this study will act as a standard process for the interaction of any nanoparticle with any biomedical target.
DEVELOPMENT OF A CLASS-SELECTIVE ENZYME IMMUNOASSAY FOR URINARY PHENOLIC GLUCURONIDES. (R825433)
Class-selective immunoassays for the measurement of glucuronides in human urine can aid evaluation of human exposure to complex mixtures of xenobiotics. Therefore, an enzyme immunoassay (EIA) for the group-selective detection of phenolic Distribution and prediction of catalytic domains in 2-oxoglutarate dependent dioxygenases
2012-01-01
Background The 2-oxoglutarate dependent superfamily is a diverse group of non-haem dioxygenases, and is present in prokaryotes, eukaryotes, and archaea. The enzymes differ in substrate preference and reaction chemistry, a factor that precludes their classification by homology studies and electronic annotation schemes alone. In this work, I propose and explore the rationale of using substrates to classify structurally similar alpha-ketoglutarate dependent enzymes. Findings Differential catalysis in phylogenetic clades of 2-OG dependent enzymes, is determined by the interactions of a subset of active-site amino acids. Identifying these with existing computational methods is challenging and not feasible for all proteins. A clustering protocol based on validated mechanisms of catalysis of known molecules, in tandem with group specific hidden markov model profiles is able to differentiate and sequester these enzymes. Access to this repository is by a web server that compares user defined unknown sequences to these pre-defined profiles and outputs a list of predicted catalytic domains. The server is free and is accessible at the following URL ( http://comp-biol.theacms.in/H2OGpred.html). Conclusions The proposed stratification is a novel attempt at classifying and predicting 2-oxoglutarate dependent function. In addition, the server will provide researchers with a tool to compare their data to a comprehensive list of HMM profiles of catalytic domains. This work, will aid efforts by investigators to screen and characterize putative 2-OG dependent sequences. The profile database will be updated at regular intervals. PMID:22862831
Computer-aided Instructional System for Transmission Line Simulation.
ERIC Educational Resources Information Center
Reinhard, Erwin A.; Roth, Charles H., Jr.
A computer-aided instructional system has been developed which utilizes dynamic computer-controlled graphic displays and which requires student interaction with a computer simulation in an instructional mode. A numerical scheme has been developed for digital simulation of a uniform, distortionless transmission line with resistive terminations and…
Proceedings of the Workshop on Computational Aspects in the Control of Flexible Systems, part 1
NASA Technical Reports Server (NTRS)
Taylor, Lawrence W., Jr. (Compiler)
1989-01-01
Control/Structures Integration program software needs, computer aided control engineering for flexible spacecraft, computer aided design, computational efficiency and capability, modeling and parameter estimation, and control synthesis and optimization software for flexible structures and robots are among the topics discussed.
Akiva, Eyal; Copp, Janine N.; Tokuriki, Nobuhiko; Babbitt, Patricia C.
2017-01-01
Insight regarding how diverse enzymatic functions and reactions have evolved from ancestral scaffolds is fundamental to understanding chemical and evolutionary biology, and for the exploitation of enzymes for biotechnology. We undertook an extensive computational analysis using a unique and comprehensive combination of tools that include large-scale phylogenetic reconstruction to determine the sequence, structural, and functional relationships of the functionally diverse flavin mononucleotide-dependent nitroreductase (NTR) superfamily (>24,000 sequences from all domains of life, 54 structures, and >10 enzymatic functions). Our results suggest an evolutionary model in which contemporary subgroups of the superfamily have diverged in a radial manner from a minimal flavin-binding scaffold. We identified the structural design principle for this divergence: Insertions at key positions in the minimal scaffold that, combined with the fixation of key residues, have led to functional specialization. These results will aid future efforts to delineate the emergence of functional diversity in enzyme superfamilies, provide clues for functional inference for superfamily members of unknown function, and facilitate rational redesign of the NTR scaffold. PMID:29078300
Role of the laboratory in the evaluation of suspected drug abuse.
Gold, M S; Dackis, C A
1986-01-01
Despite the high incidence of substance abuse, it remains a common cause of misdiagnosis. In patients who have abused or who are currently abusing drugs, symptoms of a psychiatric illness may be mimicked by either the drug's presence or absence. The laboratory can aid in making a differential diagnosis and eliminating drugs from active consideration as a cause of psychosis, depression, mania, and personality changes. Treatment planning and prevention of serious medical consequences often rest on the accuracy of the admission drug screen. Testing is widely used to assess improvement in substance abuse in both inpatient and outpatient settings. In occupational settings, testing has been used as an early indicator that a problem exists and as a successful prevention tool. The appropriate use of analytic technology in drug abuse testing requires an understanding of available test methodologies. These include drug screens by thin-layer chromatography, comprehensive testing using enzyme immunoassay, and computer-assisted gas chromatography-mass spectrometry (GC-MS). Testing for specific drugs considered likely causes or precipitants of "psychiatric" complaints is available with enzyme assays, radioimmunoassay, or definitive forensic-quality testing using GC-MS.
Computer aided field editing in the DHS context: the Turkey experiment.
Cushing, J; Loaiza, E
1994-01-01
"In this study two types of field editing used during the Turkey Demographic and Health Survey are compared. These two types of editing are computer aided field editing and manual editing. It is known that manual editing by field editors is a tedious job in which errors especially on skip questions can be missed; however, with the aid of computers field editors could quickly find all occasions on which an interviewer incorrectly followed a skip instruction. At the end of the experiment it has been found...that the field editing done with the aid of a notebook computer was consistently better than that done in the standard manual manner." (SUMMARY IN TUR) excerpt
Quality indexing with computer-aided lexicography
NASA Technical Reports Server (NTRS)
Buchan, Ronald L.
1992-01-01
Indexing with computers is a far cry from indexing with the first indexing tool, the manual card sorter. With the aid of computer-aided lexicography, both indexing and indexing tools can provide standardization, consistency, and accuracy, resulting in greater quality control than ever before. A brief survey of computer activity in indexing is presented with detailed illustrations from NASA activity. Applications from techniques mentioned, such as Retrospective Indexing (RI), can be made to many indexing systems. In addition to improving the quality of indexing with computers, the improved efficiency with which certain tasks can be done is demonstrated.
Billones, Junie B; Carrillo, Maria Constancia O; Organo, Voltaire G; Sy, Jamie Bernadette A; Clavio, Nina Abigail B; Macalino, Stephani Joy Y; Emnacen, Inno A; Lee, Alexandra P; Ko, Paul Kenny L; Concepcion, Gisela P
2017-01-01
Computer-aided drug discovery and development approaches such as virtual screening, molecular docking, and in silico drug property calculations have been utilized in this effort to discover new lead compounds against tuberculosis. The enzyme 7,8-diaminopelargonic acid aminotransferase (BioA) in Mycobacterium tuberculosis ( Mtb ), primarily involved in the lipid biosynthesis pathway, was chosen as the drug target due to the fact that humans are not capable of synthesizing biotin endogenously. The computational screening of 4.5 million compounds from the Enamine REAL database has ultimately yielded 45 high-scoring, high-affinity compounds with desirable in silico absorption, distribution, metabolism, excretion, and toxicity properties. Seventeen of the 45 compounds were subjected to bioactivity validation using the resazurin microtiter assay. Among the 4 actives, compound 7 (( Z )- N -(2-isopropoxyphenyl)-2-oxo-2-((3-(trifluoromethyl)cyclohexyl)amino)acetimidic acid) displayed inhibitory activity up to 83% at 10 μg/mL concentration against the growth of the Mtb H37Ra strain.
Billones, Junie B; Carrillo, Maria Constancia O; Organo, Voltaire G; Sy, Jamie Bernadette A; Clavio, Nina Abigail B; Macalino, Stephani Joy Y; Emnacen, Inno A; Lee, Alexandra P; Ko, Paul Kenny L; Concepcion, Gisela P
2017-01-01
Computer-aided drug discovery and development approaches such as virtual screening, molecular docking, and in silico drug property calculations have been utilized in this effort to discover new lead compounds against tuberculosis. The enzyme 7,8-diaminopelargonic acid aminotransferase (BioA) in Mycobacterium tuberculosis (Mtb), primarily involved in the lipid biosynthesis pathway, was chosen as the drug target due to the fact that humans are not capable of synthesizing biotin endogenously. The computational screening of 4.5 million compounds from the Enamine REAL database has ultimately yielded 45 high-scoring, high-affinity compounds with desirable in silico absorption, distribution, metabolism, excretion, and toxicity properties. Seventeen of the 45 compounds were subjected to bioactivity validation using the resazurin microtiter assay. Among the 4 actives, compound 7 ((Z)-N-(2-isopropoxyphenyl)-2-oxo-2-((3-(trifluoromethyl)cyclohexyl)amino)acetimidic acid) displayed inhibitory activity up to 83% at 10 μg/mL concentration against the growth of the Mtb H37Ra strain. PMID:28280303
COMPUTER-AIDED DATA ACQUISITION FOR COMBUSTION EXPERIMENTS
The article describes the use of computer-aided data acquisition techniques to aid the research program of the Combustion Research Branch (CRB) of the U.S. EPA's Air and Energy Engineering Research Laboratory (AEERL) in Research Triangle Park, NC, in particular on CRB's bench-sca...
Computer-aided decision support systems for endoscopy in the gastrointestinal tract: a review.
Liedlgruber, Michael; Uhl, Andreas
2011-01-01
Today, medical endoscopy is a widely used procedure to inspect the inner cavities of the human body. The advent of endoscopic imaging techniques-allowing the acquisition of images or videos-created the possibility for the development of the whole new branch of computer-aided decision support systems. Such systems aim at helping physicians to identify possibly malignant abnormalities more accurately. At the beginning of this paper, we give a brief introduction to the history of endoscopy, followed by introducing the main types of endoscopes which emerged so far (flexible endoscope, wireless capsule endoscope, and confocal laser endomicroscope). We then give a brief introduction to computer-aided decision support systems specifically targeted at endoscopy in the gastrointestinal tract. Then we present general facts and figures concerning computer-aided decision support systems and summarize work specifically targeted at computer-aided decision support in the gastrointestinal tract. This summary is followed by a discussion of some common issues concerning the approaches reviewed and suggestions of possible ways to resolve them.
2018-03-30
ARL-TR-8336 ● MAR 2018 US Army Research Laboratory Manipulating the Geometric Computer-aided Design of the Operational...so designated by other authorized documents. Citation of manufacturer’s or trade names does not constitute an official endorsement or approval of...Army Research Laboratory Manipulating the Geometric Computer-aided Design of the Operational Requirements-based Casualty Assessment Model within
Increasing productivity of the McAuto CAD/CAE system by user-specific applications programming
NASA Technical Reports Server (NTRS)
Plotrowski, S. M.; Vu, T. H.
1985-01-01
Significant improvements in the productivity of the McAuto Computer-Aided Design/Computer-Aided Engineering (CAD/CAE) system were achieved by applications programming using the system's own Graphics Interactive Programming language (GRIP) and the interface capabilities with the main computer on which the system resides. The GRIP programs for creating springs, bar charts, finite element model representations and aiding management planning are presented as examples.
Possible Computer Vision Systems and Automated or Computer-Aided Edging and Trimming
Philip A. Araman
1990-01-01
This paper discusses research which is underway to help our industry reduce costs, increase product volume and value recovery, and market more accurately graded and described products. The research is part of a team effort to help the hardwood sawmill industry automate with computer vision systems, and computer-aided or computer controlled processing. This paper...
Features of Computer-Based Decision Aids: Systematic Review, Thematic Synthesis, and Meta-Analyses.
Syrowatka, Ania; Krömker, Dörthe; Meguerditchian, Ari N; Tamblyn, Robyn
2016-01-26
Patient information and education, such as decision aids, are gradually moving toward online, computer-based environments. Considerable research has been conducted to guide content and presentation of decision aids. However, given the relatively new shift to computer-based support, little attention has been given to how multimedia and interactivity can improve upon paper-based decision aids. The first objective of this review was to summarize published literature into a proposed classification of features that have been integrated into computer-based decision aids. Building on this classification, the second objective was to assess whether integration of specific features was associated with higher-quality decision making. Relevant studies were located by searching MEDLINE, Embase, CINAHL, and CENTRAL databases. The review identified studies that evaluated computer-based decision aids for adults faced with preference-sensitive medical decisions and reported quality of decision-making outcomes. A thematic synthesis was conducted to develop the classification of features. Subsequently, meta-analyses were conducted based on standardized mean differences (SMD) from randomized controlled trials (RCTs) that reported knowledge or decisional conflict. Further subgroup analyses compared pooled SMDs for decision aids that incorporated a specific feature to other computer-based decision aids that did not incorporate the feature, to assess whether specific features improved quality of decision making. Of 3541 unique publications, 58 studies met the target criteria and were included in the thematic synthesis. The synthesis identified six features: content control, tailoring, patient narratives, explicit values clarification, feedback, and social support. A subset of 26 RCTs from the thematic synthesis was used to conduct the meta-analyses. As expected, computer-based decision aids performed better than usual care or alternative aids; however, some features performed better than others. Integration of content control improved quality of decision making (SMD 0.59 vs 0.23 for knowledge; SMD 0.39 vs 0.29 for decisional conflict). In contrast, tailoring reduced quality of decision making (SMD 0.40 vs 0.71 for knowledge; SMD 0.25 vs 0.52 for decisional conflict). Similarly, patient narratives also reduced quality of decision making (SMD 0.43 vs 0.65 for knowledge; SMD 0.17 vs 0.46 for decisional conflict). Results were varied for different types of explicit values clarification, feedback, and social support. Integration of media rich or interactive features into computer-based decision aids can improve quality of preference-sensitive decision making. However, this is an emerging field with limited evidence to guide use. The systematic review and thematic synthesis identified features that have been integrated into available computer-based decision aids, in an effort to facilitate reporting of these features and to promote integration of such features into decision aids. The meta-analyses and associated subgroup analyses provide preliminary evidence to support integration of specific features into future decision aids. Further research can focus on clarifying independent contributions of specific features through experimental designs and refining the designs of features to improve effectiveness.
Computer Skill Acquisition and Retention: The Effects of Computer-Aided Self-Explanation
ERIC Educational Resources Information Center
Chi, Tai-Yin
2016-01-01
This research presents an experimental study to determine to what extent computer skill learners can benefit from generating self-explanation with the aid of different computer-based visualization technologies. Self-explanation was stimulated with dynamic visualization (Screencast), static visualization (Screenshot), or verbal instructions only,…
Computational Biochemistry-Enzyme Mechanisms Explored.
Culka, Martin; Gisdon, Florian J; Ullmann, G Matthias
2017-01-01
Understanding enzyme mechanisms is a major task to achieve in order to comprehend how living cells work. Recent advances in biomolecular research provide huge amount of data on enzyme kinetics and structure. The analysis of diverse experimental results and their combination into an overall picture is, however, often challenging. Microscopic details of the enzymatic processes are often anticipated based on several hints from macroscopic experimental data. Computational biochemistry aims at creation of a computational model of an enzyme in order to explain microscopic details of the catalytic process and reproduce or predict macroscopic experimental findings. Results of such computations are in part complementary to experimental data and provide an explanation of a biochemical process at the microscopic level. In order to evaluate the mechanism of an enzyme, a structural model is constructed which can be analyzed by several theoretical approaches. Several simulation methods can and should be combined to get a reliable picture of the process of interest. Furthermore, abstract models of biological systems can be constructed combining computational and experimental data. In this review, we discuss structural computational models of enzymatic systems. We first discuss various models to simulate enzyme catalysis. Furthermore, we review various approaches how to characterize the enzyme mechanism both qualitatively and quantitatively using different modeling approaches. © 2017 Elsevier Inc. All rights reserved.
Jan Wiedenbeck; Jeff Parsons; Bruce Beeken
2009-01-01
Computer-aided manufacturing (CAM), in which computer-aided design (CAD) and computer numerically controlled (CNC) machining are integrated for the production of parts, became a viable option for the woodworking industry in the 1980s.
WINCADRE (COMPUTER-AIDED DATA REVIEW AND EVALUATION)
WinCADRE (Computer-Aided Data Review and Evaluation) is a Windows -based program designed for computer-assisted data validation. WinCADRE is a powerful tool which significantly decreases data validation turnaround time. The electronic-data-deliverable format has been designed ...
de novo computational enzyme design.
Zanghellini, Alexandre
2014-10-01
Recent advances in systems and synthetic biology as well as metabolic engineering are poised to transform industrial biotechnology by allowing us to design cell factories for the sustainable production of valuable fuels and chemicals. To deliver on their promises, such cell factories, as much as their brick-and-mortar counterparts, will require appropriate catalysts, especially for classes of reactions that are not known to be catalyzed by enzymes in natural organisms. A recently developed methodology, de novo computational enzyme design can be used to create enzymes catalyzing novel reactions. Here we review the different classes of chemical reactions for which active protein catalysts have been designed as well as the results of detailed biochemical and structural characterization studies. We also discuss how combining de novo computational enzyme design with more traditional protein engineering techniques can alleviate the shortcomings of state-of-the-art computational design techniques and create novel enzymes with catalytic proficiencies on par with natural enzymes. Copyright © 2014 Elsevier Ltd. All rights reserved.
ENZVU--An Enzyme Kinetics Computer Simulation Based upon a Conceptual Model of Enzyme Action.
ERIC Educational Resources Information Center
Graham, Ian
1985-01-01
Discusses a simulation on enzyme kinetics based upon the ability of computers to generate random numbers. The program includes: (1) enzyme catalysis in a restricted two-dimensional grid; (2) visual representation of catalysis; and (3) storage and manipulation of data. Suggested applications and conclusions are also discussed. (DH)
NASA Technical Reports Server (NTRS)
Litvin, Faydor L.; Tsay, Chung-Biau
1987-01-01
The authors have proposed a method for the generation of circular arc helical gears which is based on the application of standard equipment, worked out all aspects of the geometry of the gears, proposed methods for the computer aided simulation of conditions of meshing and bearing contact, investigated the influence of manufacturing and assembly errors, and proposed methods for the adjustment of gears to these errors. The results of computer aided solutions are illustrated with computer graphics.
Computer-aided drug discovery.
Bajorath, Jürgen
2015-01-01
Computational approaches are an integral part of interdisciplinary drug discovery research. Understanding the science behind computational tools, their opportunities, and limitations is essential to make a true impact on drug discovery at different levels. If applied in a scientifically meaningful way, computational methods improve the ability to identify and evaluate potential drug molecules, but there remain weaknesses in the methods that preclude naïve applications. Herein, current trends in computer-aided drug discovery are reviewed, and selected computational areas are discussed. Approaches are highlighted that aid in the identification and optimization of new drug candidates. Emphasis is put on the presentation and discussion of computational concepts and methods, rather than case studies or application examples. As such, this contribution aims to provide an overview of the current methodological spectrum of computational drug discovery for a broad audience.
Computer-Aided Engineering Education at the K.U. Leuven.
ERIC Educational Resources Information Center
Snoeys, R.; Gobin, R.
1987-01-01
Describes some recent initiatives and developments in the computer-aided design program in the engineering faculty of the Katholieke Universiteit Leuven (Belgium). Provides a survey of the engineering curriculum, the computer facilities, and the main software packages available. (TW)
Software Tools for Shipbuilding Productivity
1984-12-01
shipbuilding, is that design, manufacturing and robotic technology applications to shipbuilding have been proven. all aspects of shipbuilding is now a task...technical information about the process of Computer Aided Design (CAD) and Computer Aided Manufacturing (CAM) effectively has been a problem of serious and...Design (CAD) 3.4.1 CAD System Components 3.4.2 CAD System Benefits 3.4.3 New and Future CAD Technologies Computer Aided Manufacturing (CAM) 3.5.1 CAM
Lin, Wei-Shao; Metz, Michael J; Pollini, Adrien; Ntounis, Athanasios; Morton, Dean
2014-12-01
This dental technique report describes a digital workflow with digital data acquisition at the implant level, computer-aided design and computer-aided manufacturing fabricated, tissue-colored, anodized titanium framework, individually luted zirconium oxide restorations, and autopolymerizing injection-molded acrylic resin to fabricate an implant-supported, metal-ceramic-resin fixed complete dental prosthesis in an edentulous mandible. The 1-step computer-aided design and computer-aided manufacturing fabrication of titanium framework and zirconium oxide restorations can provide a cost-effective alternative to the conventional metal-resin fixed complete dental prosthesis. Copyright © 2014 Editorial Council for the Journal of Prosthetic Dentistry. Published by Elsevier Inc. All rights reserved.
Watson, Jason; Hatamleh, Muhanad; Alwahadni, Ahed; Srinivasan, Dilip
2014-05-01
Patients with significant craniofacial asymmetry may have functional problems associated with their occlusion and aesthetic concerns related to the imbalance in soft and hard tissue profiles. This report details a case of facial asymmetry secondary to left mandible angle deficiency due to undergoing previous radiotherapy. We describe the correction of the bony deformity using computer aided design/computer aided manufacturing custom-made titanium onlay using novel direct metal laser sintering. The direct metal laser sintering onlay proved a very accurate operative fit and showed a good aesthetic correction of the bony defect with no reported complications postoperatively. It is a useful low-morbidity technique, and there is no resorption or associated donor-site complications.
Wauters, Lauri D J; Miguel-Moragas, Joan San; Mommaerts, Maurice Y
2015-11-01
To gain insight into the methodology of different computer-aided design-computer-aided manufacturing (CAD-CAM) applications for the reconstruction of cranio-maxillo-facial (CMF) defects. We reviewed and analyzed the available literature pertaining to CAD-CAM for use in CMF reconstruction. We proposed a classification system of the techniques of implant and cutting, drilling, and/or guiding template design and manufacturing. The system consisted of 4 classes (I-IV). These classes combine techniques used for both the implant and template to most accurately describe the methodology used. Our classification system can be widely applied. It should facilitate communication and immediate understanding of the methodology of CAD-CAM applications for the reconstruction of CMF defects.
Andreiuolo, Rafael Ferrone; Sabrosa, Carlos Eduardo; Dias, Katia Regina H Cervantes
2013-09-01
The use of bi-layered all-ceramic crowns has continuously grown since the introduction of computer-aided design/computer-aided manufacturing (CAD/CAM) zirconia cores. Unfortunately, despite the outstanding mechanical properties of zirconia, problems related to porcelain cracking or chipping remain. One of the reasons for this is that ceramic copings are usually milled to uniform thicknesses of 0.3-0.6 mm around the whole tooth preparation. This may not provide uniform thickness or appropriate support for the veneering porcelain. To prevent these problems, the dual-scan technique demonstrates an alternative that allows the restorative team to customize zirconia CAD/CAM frameworks with adequate porcelain thickness and support in a simple manner.
Computer Simulated Visual and Tactile Feedback as an Aid to Manipulator and Vehicle Control,
1981-05-08
STATEMENT ........................ 8 Artificial Intellegence Versus Supervisory Control ....... 8 Computer Generation of Operator Feedback...operator. Artificial Intelligence Versus Supervisory Control The use of computers to aid human operators can be divided into two catagories: artificial ...operator. Artificial intelligence ( A. I. ) attempts to give the computer maximum intelligence and to replace all operator functions by the computer
Virtual Reality versus Computer-Aided Exposure Treatments for Fear of Flying
ERIC Educational Resources Information Center
Tortella-Feliu, Miquel; Botella, Cristina; Llabres, Jordi; Breton-Lopez, Juana Maria; del Amo, Antonio Riera; Banos, Rosa M.; Gelabert, Joan M.
2011-01-01
Evidence is growing that two modalities of computer-based exposure therapies--virtual reality and computer-aided psychotherapy--are effective in treating anxiety disorders, including fear of flying. However, they have not yet been directly compared. The aim of this study was to analyze the efficacy of three computer-based exposure treatments for…
The Implications of Cognitive Psychology for Computer-Based Learning Tools.
ERIC Educational Resources Information Center
Kozma, Robert B.
1987-01-01
Defines cognitive computer tools as software programs that use the control capabilities of computers to amplify, extend, or enhance human cognition; suggests seven ways in which computers can aid learning; and describes the "Learning Tool," a software package for the Apple Macintosh microcomputer that is designed to aid learning of…
Artificial Intelligence and Computer Assisted Instruction. CITE Report No. 4.
ERIC Educational Resources Information Center
Elsom-Cook, Mark
The purpose of the paper is to outline some of the major ways in which artificial intelligence research and techniques can affect usage of computers in an educational environment. The role of artificial intelligence is defined, and the difference between Computer Aided Instruction (CAI) and Intelligent Computer Aided Instruction (ICAI) is…
Electronic Circuit Analysis Language (ECAL)
NASA Astrophysics Data System (ADS)
Chenghang, C.
1983-03-01
The computer aided design technique is an important development in computer applications and it is an important component of computer science. The special language for electronic circuit analysis is the foundation of computer aided design or computer aided circuit analysis (abbreviated as CACD and CACA) of simulated circuits. Electronic circuit analysis language (ECAL) is a comparatively simple and easy to use circuit analysis special language which uses the FORTRAN language to carry out the explanatory executions. It is capable of conducting dc analysis, ac analysis, and transient analysis of a circuit. Futhermore, the results of the dc analysis can be used directly as the initial conditions for the ac and transient analyses.
Dietary Supplements and Health Aids - A Critical Evaluation Part 2 - Macronutrients and Fiber.
ERIC Educational Resources Information Center
Dubick, Michael A.
1983-01-01
Part 1 of this evaluation of dietary supplements and health aids (SE 533 788) focused on various therapeutic claims made for vitamins and minerals. This part examines health-promoting claims made for selected macronutrients and fiber. Macronutrients examined include selected proteins, amino acids, enzymes, carbohydrates, and lipids. (JN)
WINCADRE INORGANIC (WINDOWS COMPUTER-AIDED DATA REVIEW AND EVALUATION)
WinCADRE (Computer-Aided Data Review and Evaluation) is a Windows -based program designed for computer-assisted data validation. WinCADRE is a powerful tool which significantly decreases data validation turnaround time. The electronic-data-deliverable format has been designed in...
Computer-aided US diagnosis of breast lesions by using cell-based contour grouping.
Cheng, Jie-Zhi; Chou, Yi-Hong; Huang, Chiun-Sheng; Chang, Yeun-Chung; Tiu, Chui-Mei; Chen, Kuei-Wu; Chen, Chung-Ming
2010-06-01
To develop a computer-aided diagnostic algorithm with automatic boundary delineation for differential diagnosis of benign and malignant breast lesions at ultrasonography (US) and investigate the effect of boundary quality on the performance of a computer-aided diagnostic algorithm. This was an institutional review board-approved retrospective study with waiver of informed consent. A cell-based contour grouping (CBCG) segmentation algorithm was used to delineate the lesion boundaries automatically. Seven morphologic features were extracted. The classifier was a logistic regression function. Five hundred twenty breast US scans were obtained from 520 subjects (age range, 15-89 years), including 275 benign (mean size, 15 mm; range, 5-35 mm) and 245 malignant (mean size, 18 mm; range, 8-29 mm) lesions. The newly developed computer-aided diagnostic algorithm was evaluated on the basis of boundary quality and differentiation performance. The segmentation algorithms and features in two conventional computer-aided diagnostic algorithms were used for comparative study. The CBCG-generated boundaries were shown to be comparable with the manually delineated boundaries. The area under the receiver operating characteristic curve (AUC) and differentiation accuracy were 0.968 +/- 0.010 and 93.1% +/- 0.7, respectively, for all 520 breast lesions. At the 5% significance level, the newly developed algorithm was shown to be superior to the use of the boundaries and features of the two conventional computer-aided diagnostic algorithms in terms of AUC (0.974 +/- 0.007 versus 0.890 +/- 0.008 and 0.788 +/- 0.024, respectively). The newly developed computer-aided diagnostic algorithm that used a CBCG segmentation method to measure boundaries achieved a high differentiation performance. Copyright RSNA, 2010
Science Study Aids 6: Lysozyme - The Cooperative Enzyme.
ERIC Educational Resources Information Center
Boeschen, John; Alderton, Gordon
This publication is the sixth of a series of seven supplementary investigative materials for use in secondary science classes providing up-to-date research-related investigations. This unit is structured for grade levels 10 through 12. It is concerned with the crystallization of an enzyme, lysozyme, from egg white. The first part of this guide…
Lin, Chun-Li; Chang, Yen-Hsiang; Hsieh, Shih-Kai; Chang, Wen-Jen
2013-03-01
This study evaluated the risk of failure for an endodontically treated premolar with different crack depths, which was shearing toward the pulp chamber and was restored by using 3 different computer-aided design/computer-aided manufacturing ceramic restoration configurations. Three 3-dimensional finite element models designed with computer-aided design/computer-aided manufacturing ceramic onlay, endocrown, and conventional crown restorations were constructed to perform simulations. The Weibull function was incorporated with finite element analysis to calculate the long-term failure probability relative to different load conditions. The results indicated that the stress values on the enamel, dentin, and luting cement for endocrown restorations exhibited the lowest values relative to the other 2 restoration methods. Weibull analysis revealed that the overall failure probabilities in a shallow cracked premolar were 27%, 2%, and 1% for the onlay, endocrown, and conventional crown restorations, respectively, in the normal occlusal condition. The corresponding values were 70%, 10%, and 2% for the depth cracked premolar. This numeric investigation suggests that the endocrown provides sufficient fracture resistance only in a shallow cracked premolar with endodontic treatment. The conventional crown treatment can immobilize the premolar for different cracked depths with lower failure risk. Copyright © 2013 American Association of Endodontists. Published by Elsevier Inc. All rights reserved.
Ismail, Hanafy M; O'Neill, Paul M; Hong, David W; Finn, Robert D; Henderson, Colin J; Wright, Aaron T; Cravatt, Benjamin F; Hemingway, Janet; Paine, Mark J I
2013-12-03
Pyrethroid insecticides are used to control diseases spread by arthropods. We have developed a suite of pyrethroid mimetic activity-based probes (PyABPs) to selectively label and identify P450s associated with pyrethroid metabolism. The probes were screened against pyrethroid-metabolizing and nonmetabolizing mosquito P450s, as well as rodent microsomes, to measure labeling specificity, plus cytochrome P450 oxidoreductase and b5 knockout mouse livers to validate P450 activation and establish the role for b5 in probe activation. Using PyABPs, we were able to profile active enzymes in rat liver microsomes and identify pyrethroid-metabolizing enzymes in the target tissue. These included P450s as well as related detoxification enzymes, notably UDP-glucuronosyltransferases, suggesting a network of associated pyrethroid-metabolizing enzymes, or "pyrethrome." Considering the central role P450s play in metabolizing insecticides, we anticipate that PyABPs will aid in the identification and profiling of P450s associated with insecticide pharmacology in a wide range of species, improving understanding of P450-insecticide interactions and aiding the development of unique tools for disease control.
Advances in computer-aided well-test interpretation
DOE Office of Scientific and Technical Information (OSTI.GOV)
Horne, R.N.
1994-07-01
Despite the feeling expressed several times over the past 40 years that well-test analysis had reached it peak development, an examination of recent advances shows continuous expansion in capability, with future improvement likely. The expansion in interpretation capability over the past decade arose mainly from the development of computer-aided techniques, which, although introduced 20 years ago, have come into use only recently. The broad application of computer-aided interpretation originated with the improvement of the methodologies and continued with the expansion in computer access and capability that accompanied the explosive development of the microcomputer industry. This paper focuses on the differentmore » pieces of the methodology that combine to constitute a computer-aided interpretation and attempts to compare some of the approaches currently used. Future directions of the approach are also discussed. The separate areas discussed are deconvolution, pressure derivatives, model recognition, nonlinear regression, and confidence intervals.« less
Features of Computer-Based Decision Aids: Systematic Review, Thematic Synthesis, and Meta-Analyses
Krömker, Dörthe; Meguerditchian, Ari N; Tamblyn, Robyn
2016-01-01
Background Patient information and education, such as decision aids, are gradually moving toward online, computer-based environments. Considerable research has been conducted to guide content and presentation of decision aids. However, given the relatively new shift to computer-based support, little attention has been given to how multimedia and interactivity can improve upon paper-based decision aids. Objective The first objective of this review was to summarize published literature into a proposed classification of features that have been integrated into computer-based decision aids. Building on this classification, the second objective was to assess whether integration of specific features was associated with higher-quality decision making. Methods Relevant studies were located by searching MEDLINE, Embase, CINAHL, and CENTRAL databases. The review identified studies that evaluated computer-based decision aids for adults faced with preference-sensitive medical decisions and reported quality of decision-making outcomes. A thematic synthesis was conducted to develop the classification of features. Subsequently, meta-analyses were conducted based on standardized mean differences (SMD) from randomized controlled trials (RCTs) that reported knowledge or decisional conflict. Further subgroup analyses compared pooled SMDs for decision aids that incorporated a specific feature to other computer-based decision aids that did not incorporate the feature, to assess whether specific features improved quality of decision making. Results Of 3541 unique publications, 58 studies met the target criteria and were included in the thematic synthesis. The synthesis identified six features: content control, tailoring, patient narratives, explicit values clarification, feedback, and social support. A subset of 26 RCTs from the thematic synthesis was used to conduct the meta-analyses. As expected, computer-based decision aids performed better than usual care or alternative aids; however, some features performed better than others. Integration of content control improved quality of decision making (SMD 0.59 vs 0.23 for knowledge; SMD 0.39 vs 0.29 for decisional conflict). In contrast, tailoring reduced quality of decision making (SMD 0.40 vs 0.71 for knowledge; SMD 0.25 vs 0.52 for decisional conflict). Similarly, patient narratives also reduced quality of decision making (SMD 0.43 vs 0.65 for knowledge; SMD 0.17 vs 0.46 for decisional conflict). Results were varied for different types of explicit values clarification, feedback, and social support. Conclusions Integration of media rich or interactive features into computer-based decision aids can improve quality of preference-sensitive decision making. However, this is an emerging field with limited evidence to guide use. The systematic review and thematic synthesis identified features that have been integrated into available computer-based decision aids, in an effort to facilitate reporting of these features and to promote integration of such features into decision aids. The meta-analyses and associated subgroup analyses provide preliminary evidence to support integration of specific features into future decision aids. Further research can focus on clarifying independent contributions of specific features through experimental designs and refining the designs of features to improve effectiveness. PMID:26813512
ERIC Educational Resources Information Center
Lintz, Larry M.; And Others
This study investigated the feasibility of a low cost computer-aided instruction/computer-managed instruction (CAI/CMI) system. Air Force instructors and training supervisors were surveyed to determine the potential payoffs of various CAI and CMI functions. Results indicated that a wide range of capabilities had potential for resident technical…
ERIC Educational Resources Information Center
Pollard, Jim
This report reviews software packages for Apple Macintosh and Apple II computers available to secondary schools to teach computer-aided drafting (CAD). Products for the report were gathered through reviews of CAD periodicals, computers in education periodicals, advertisements, and teacher recommendations. The first section lists the primary…
Computer Aided Drug Design: Success and Limitations.
Baig, Mohammad Hassan; Ahmad, Khurshid; Roy, Sudeep; Ashraf, Jalaluddin Mohammad; Adil, Mohd; Siddiqui, Mohammad Haris; Khan, Saif; Kamal, Mohammad Amjad; Provazník, Ivo; Choi, Inho
2016-01-01
Over the last few decades, computer-aided drug design has emerged as a powerful technique playing a crucial role in the development of new drug molecules. Structure-based drug design and ligand-based drug design are two methods commonly used in computer-aided drug design. In this article, we discuss the theory behind both methods, as well as their successful applications and limitations. To accomplish this, we reviewed structure based and ligand based virtual screening processes. Molecular dynamics simulation, which has become one of the most influential tool for prediction of the conformation of small molecules and changes in their conformation within the biological target, has also been taken into account. Finally, we discuss the principles and concepts of molecular docking, pharmacophores and other methods used in computer-aided drug design.
Jo, Chanwoo; Bae, Doohwan; Choi, Byungho; Kim, Jihun
2017-05-01
Supernumerary teeth need to be removed because they can cause various complications. Caution is needed because their removal can cause damage to permanent teeth or tooth germs in the local vicinity. Surgical guides have recently been used in maxillofacial surgery. Because surgical guides are designed through preoperative analysis by computer-aided design software and fabricated using a 3-dimensional printer applying computer-aided manufacturing technology, they increase the accuracy and predictability of surgery. This report describes 2 cases of removal of a mesiodens-1 from a child and 1 from an adolescent-using a surgical guide; these would have been difficult to remove with conventional surgical methods. Copyright © 2016 American Association of Oral and Maxillofacial Surgeons. Published by Elsevier Inc. All rights reserved.
Morris, Garrett M.; Green, Luke G.; Radić, Zoran; Taylor, Palmer; Sharpless, K. Barry; Olson, Arthur J.; Grynszpan, Flavio
2013-01-01
The use of computer-aided structure-based drug design prior to synthesis has proven to be generally valuable in suggesting improved binding analogues of existing ligands.1 Here we describe the application of the program AutoDock2 to the design of a focused library that was used in the “click chemistry in-situ” generation of the most potent non-covalent inhibitor of the enzyme acetylcholinesterase (AChE) yet developed (Kd = ~100 fM).3 AutoDock version 3.0.5 has been widely distributed and successfully used to predict bound conformations of flexible ligands. Here, we also used a version of AutoDock which permits additional conformational flexibility in selected amino acid sidechains of the target protein. PMID:23451944
The role of enzyme supplementation in digestive disorders.
Roxas, Mario
2008-12-01
This article reviews various forms of enzyme supplementation used clinically in digestive and absorption disorders. Enzyme supplementation plays an integral role in the management of various digestive disorders, particularly with regard to exocrine pancreatic insufficiency. However, application of enzymes may also be beneficial for other conditions associated with poor digestion including lactose intolerance. Historically, porcine and bovine pancreatic enzymes have been the preferred form of supplementation for exocrine pancreatic insufficiency. Use of microbe-derived lipase has shown promise with studies indicating benefit similar to pancreatic enzymes, but at a lower dosage concentration and with a broader pH range. Safety and efficacy of enzymes derived from microbial species in the treatment of conditions such as malabsorption and lactose intolerance is promising. Plant-based enzymes, such as bromelain from pineapple, serve as effective digestive aids in the breakdown of proteins. Synergistic effects have been observed using a combination of animal-based enzymes and microbe-derived enzymes or bromelain.
Enzyme nanoparticle fabrication: magnetic nanoparticle synthesis and enzyme immobilization.
Johnson, Patrick A; Park, Hee Joon; Driscoll, Ashley J
2011-01-01
Immobilized enzymes are drawing significant attention for potential commercial applications as biocatalysts by reducing operational expenses and by increasing process utilization of the enzymes. Typically, immobilized enzymes have greater thermal and operational stability at various pH values, ionic strengths and are more resistant to denaturation that the soluble native form of the enzyme. Also, immobilized enzymes can be recycled by utilizing the physical or chemical properties of the supporting material. Magnetic nanoparticles provide advantages as the supporting material for immobilized enzymes over competing materials such as: higher surface area that allows for greater enzyme loading, lower mass transfer resistance, less fouling effect, and selective, nonchemical separation from the reaction mixture by an applied a magnetic field. Various surface modifications of magnetic nanoparticles, such as silanization, carbodiimide activation, and PEG or PVA spacing, aid in the binding of single or multienzyme systems to the particles, while cross-linking using glutaraldehyde can also stabilize the attached enzymes.
Web-Based Learning in the Computer-Aided Design Curriculum.
ERIC Educational Resources Information Center
Sung, Wen-Tsai; Ou, S. C.
2002-01-01
Applies principles of constructivism and virtual reality (VR) to computer-aided design (CAD) curriculum, particularly engineering, by integrating network, VR and CAD technologies into a Web-based learning environment that expands traditional two-dimensional computer graphics into a three-dimensional real-time simulation that enhances user…
Integrated Computer-Aided Drafting Instruction (ICADI).
ERIC Educational Resources Information Center
Chen, C. Y.; McCampbell, David H.
Until recently, computer-aided drafting and design (CAD) systems were almost exclusively operated on mainframes or minicomputers and their cost prohibited many schools from offering CAD instruction. Today, many powerful personal computers are capable of performing the high-speed calculation and analysis required by the CAD application; however,…
Regulation of AID, the B-cell genome mutator
Keim, Celia; Kazadi, David; Rothschild, Gerson; Basu, Uttiya
2013-01-01
The mechanisms by which B cells somatically engineer their genomes to generate the vast diversity of antibodies required to challenge the nearly infinite number of antigens that immune systems encounter are of tremendous clinical and academic interest. The DNA cytidine deaminase activation-induced deaminase (AID) catalyzes two of these mechanisms: class switch recombination (CSR) and somatic hypermutation (SHM). Recent discoveries indicate a significant promiscuous targeting of this B-cell mutator enzyme genome-wide. Here we discuss the various regulatory elements that control AID activity and prevent AID from inducing genomic instability and thereby initiating oncogenesis. PMID:23307864
A Computer-Aided Diagnosis System for Breast Cancer Combining Digital Mammography and Genomics
2006-05-01
Huang, "Breast cancer diagnosis using self-organizing map for sonography." Ultrasound Med. Biol. 26, 405 (2000). 20 K. Horsch, M.L. Giger, L.A. Venta ...L.A. Venta , "Performance of computer-aided diagnosis in the interpretation of lesions on breast sonography." Acad Radiol 11, 272 (2004). 22 W. Chen...418. 27. Horsch K, Giger ML, Vyborny CJ, Venta LA. Performance of computer-aided diagnosis in the interpretation of lesions on breast sonography
Computer-aided design of the RF-cavity for a high-power S-band klystron
NASA Astrophysics Data System (ADS)
Kant, D.; Bandyopadhyay, A. K.; Pal, D.; Meena, R.; Nangru, S. C.; Joshi, L. M.
2012-08-01
This article describes the computer-aided design of the RF-cavity for a S-band klystron operating at 2856 MHz. State-of-the-art electromagnetic simulation tools SUPERFISH, CST Microwave studio, HFSS and MAGIC have been used for cavity design. After finalising the geometrical details of the cavity through simulation, it has been fabricated and characterised through cold testing. Detailed results of the computer-aided simulation and cold measurements are presented in this article.
Computer aided design of monolithic microwave and millimeter wave integrated circuits and subsystems
NASA Astrophysics Data System (ADS)
Ku, Walter H.; Gang, Guan-Wan; He, J. Q.; Ichitsubo, I.
1988-05-01
This final technical report presents results on the computer aided design of monolithic microwave and millimeter wave integrated circuits and subsystems. New results include analytical and computer aided device models of GaAs MESFETs and HEMTs or MODFETs, new synthesis techniques for monolithic feedback and distributed amplifiers and a new nonlinear CAD program for MIMIC called CADNON. This program incorporates the new MESFET and HEMT model and has been successfully applied to the design of monolithic millimeter-wave mixers.
An Interactive Computer Aided Design and Analysis Package.
1986-03-01
Al-A167 114 AN INTERACTIVE COMPUTER AIDED DESIGN MUD ANAILYSIS 1/ PACKAGE(U) NAVAL POSTGRADUATE SCHOOL NONTEREY CA T L EUALD "AR 86 UNCLSSIFIED F... SCHOOL Monterey, California DTIC .LECTE MAYOS THESIS AN INTERACTIVE COMPUTER AIDED DESIGN AND ANALYSIS PACKAGE by Terrence L. Ewald March 1986 jThesis...ORGANIZATION Naval Postgraduate School (if dAp90h81111) Naval Postgraduate School . 62A 6C. ADDRESS (0ty. State, and ZIP Code) 7b. ADDRESS (City State. and
ERIC Educational Resources Information Center
Proctor, Tony
1988-01-01
Explores the conceptual components of a computer program designed to enhance creative thinking and reviews software that aims to stimulate creative thinking. Discusses BRAIN and ORACLE, programs intended to aid in creative problem solving. (JOW)
Prerequisites for Computer-Aided Cognitive Rehabilitation.
ERIC Educational Resources Information Center
Legrand, Colette
1989-01-01
This paper describes computer-aided cognitive rehabilitation for mentally deficient persons. It lists motor, cognitive, emotional, and educational prerequisites to such rehabilitation and states advantages and disadvantages in using the prerequisites. (JDD)
ERIC Educational Resources Information Center
Attinasi, Louis C., Jr.; Fenske, Robert H.
1988-01-01
Two computer models used at Arizona State University recognize the tendency of students from low-income and minority backgrounds to apply for assistance late in the funding cycle. They permit administrators to project the amount of aid needed by such students. The Financial Aid Computerized Tracking System is described. (Author/MLW)
ERIC Educational Resources Information Center
Stevenson, Kimberly
This master's thesis describes the development of an expert system and interactive videodisc computer-based instructional job aid used for assisting in the integration of electron beam lithography devices. Comparable to all comprehensive training, expert system and job aid development require a criterion-referenced systems approach treatment to…
Incorporation of CAD/CAM Restoration Into Navy Dentistry
2017-09-26
CAD/CAM Computer-aided design /Computer-assisted manufacturing CDT Common Dental Terminology DENCAS Dental Common Access System DTF Dental...to reduce avoidable dental emergencies for deployed sailors and marines. Dental Computer-aided design /Computer-assisted manufacturing (CAD/CAM...report will review and evaluate the placement rate by Navy dentists of digitally fabricated in-office ceramic restorations compared to traditional direct
ERIC Educational Resources Information Center
Aksakalli, Ayhan; Turgut, Umit; Salar, Riza
2016-01-01
This research aims to investigate the ways in which pre-service physics teachers interact with computers, which, as an indispensable means of today's technology, are of major value in education and training, and to identify any misconceptions said teachers may have about computer-aided instruction. As part of the study, computer-based physics…
Student Performance in Computer-Assisted Instruction in Programming.
ERIC Educational Resources Information Center
Friend, Jamesine E.; And Others
A computer-assisted instructional system to teach college students the computer language, AID (Algebraic Interpretive Dialogue), two control programs, and data collected by the two control programs are described. It was found that although first response errors were often those of AID syntax, such errors were easily corrected. Secondly, while…
Cooperation Support in Computer-Aided Authoring and Learning.
ERIC Educational Resources Information Center
Muhlhauser, Max; Rudebusch, Tom
This paper discusses the use of Computer Supported Cooperative Work (CSCW) techniques for computer-aided learning (CAL); the work was started in the context of project Nestor, a joint effort of German universities about cooperative multimedia authoring/learning environments. There are four major categories of cooperation for CAL: author/author,…
Computer-Assisted Instruction: One Aid for Teachers of Reading.
ERIC Educational Resources Information Center
Rauch, Margaret; Samojeden, Elizabeth
Computer assisted instruction (CAI), an instructional system with direct interaction between the student and the computer, can be a valuable aid for presenting new concepts, for reinforcing of selective skills, and for individualizing instruction. The advantages CAI provides include self-paced learning, more efficient allocation of classroom time,…
Computer-aided design of high-frequency transistor amplifiers.
NASA Technical Reports Server (NTRS)
Hsieh, C.-C.; Chan, S.-P.
1972-01-01
A systematic step-by-step computer-aided procedure for designing high-frequency transistor amplifiers is described. The technique makes it possible to determine the optimum source impedance which gives a minimum noise figure.
Three-dimensional surgical simulation.
Cevidanes, Lucia H C; Tucker, Scott; Styner, Martin; Kim, Hyungmin; Chapuis, Jonas; Reyes, Mauricio; Proffit, William; Turvey, Timothy; Jaskolka, Michael
2010-09-01
In this article, we discuss the development of methods for computer-aided jaw surgery, which allows us to incorporate the high level of precision necessary for transferring virtual plans into the operating room. We also present a complete computer-aided surgery system developed in close collaboration with surgeons. Surgery planning and simulation include construction of 3-dimensional surface models from cone-beam computed tomography, dynamic cephalometry, semiautomatic mirroring, interactive cutting of bone, and bony segment repositioning. A virtual setup can be used to manufacture positioning splints for intraoperative guidance. The system provides further intraoperative assistance with a computer display showing jaw positions and 3-dimensional positioning guides updated in real time during the surgical procedure. The computer-aided surgery system aids in dealing with complex cases with benefits for the patient, with surgical practice, and for orthodontic finishing. Advanced software tools for diagnosis and treatment planning allow preparation of detailed operative plans, osteotomy repositioning, bone reconstructions, surgical resident training, and assessing the difficulties of the surgical procedures before the surgery. Computer-aided surgery can make the elaboration of the surgical plan a more flexible process, increase the level of detail and accuracy of the plan, yield higher operative precision and control, and enhance documentation of cases. 2010 American Association of Orthodontists. Published by Mosby, Inc. All rights reserved.
Space Spurred Computer Graphics
NASA Technical Reports Server (NTRS)
1983-01-01
Dicomed Corporation was asked by NASA in the early 1970s to develop processing capabilities for recording images sent from Mars by Viking spacecraft. The company produced a film recorder which increased the intensity levels and the capability for color recording. This development led to a strong technology base resulting in sophisticated computer graphics equipment. Dicomed systems are used to record CAD (computer aided design) and CAM (computer aided manufacturing) equipment, to update maps and produce computer generated animation.
Ye, Hongqiang; Li, Xinxin; Wang, Guanbo; Kang, Jing; Liu, Yushu; Sun, Yuchun; Zhou, Yongsheng
2018-02-15
To investigate a computer-aided design/computer-aided manufacturing (CAD/CAM) process for producing one-piece removable partial dentures (RPDs) and to evaluate their fits in vitro. A total of 15 one-piece RPDs were designed using dental CAD and reverse engineering software and then fabricated with polyetheretherketone (PEEK) using CAM. The gaps between RPDs and casts were measured and compared with traditional cast framework RPDs. Gaps were lower for one-piece PEEK RPDs compared to traditional RPDs. One-piece RPDs can be manufactured by CAD/CAM, and their fits were better than those of traditional RPDs.
Enzymatic approaches in paper industry for pulp refining and biofilm control.
Torres, C E; Negro, C; Fuente, E; Blanco, A
2012-10-01
The use of enzymes has a high potential in the pulp and paper industry to improve the economics of the paper production process and to achieve, at the same time, a reduced environmental impact. Specific enzymes contribute to reduce the amount of chemicals and energy required for the modification of fibers and helps to prevent the formation or development of biofilms. This review is aimed at presenting the latest progresses made in the application of enzymes as refining aids and biofilm control agents.
Effect of Computer-Presented Organizational/Memory Aids on Problem Solving Behavior.
ERIC Educational Resources Information Center
Steinberg, Esther R.; And Others
This research studied the effects of computer-presented organizational/memory aids on problem solving behavior. The aids were either matrix or verbal charts shown on the display screen next to the problem. The 104 college student subjects were randomly assigned to one of the four conditions: type of chart (matrix or verbal chart) and use of charts…
ERIC Educational Resources Information Center
Schulz, Russel E.; And Others
This Programming Design Guide (PDG) was developed to permit the offline Job Aid for Selecting Instructional Setting, which is one of 13 job aids presently available for use with the Instructional Systems Development (ISD) model, to be available in an inquiry-type, online version. It is intended to provide computer programmers with all of the…
Teaching Advance Care Planning to Medical Students with a Computer-Based Decision Aid
Levi, Benjamin H.
2013-01-01
Discussing end-of-life decisions with cancer patients is a crucial skill for physicians. This article reports findings from a pilot study evaluating the effectiveness of a computer-based decision aid for teaching medical students about advance care planning. Second-year medical students at a single medical school were randomized to use a standard advance directive or a computer-based decision aid to help patients with advance care planning. Students' knowledge, skills, and satisfaction were measured by self-report; their performance was rated by patients. 121/133 (91%) of students participated. The Decision-Aid Group (n=60) outperformed the Standard Group (n=61) in terms of students´ knowledge (p<0.01), confidence in helping patients with advance care planning (p<0.01), knowledge of what matters to patients (p=0.05), and satisfaction with their learning experience (p<0.01). Likewise, patients in the Decision Aid Group were more satisfied with the advance care planning method (p<0.01) and with several aspects of student performance. Use of a computer-based decision aid may be an effective way to teach medical students how to discuss advance care planning with cancer patients. PMID:20632222
Evaluation of direct and indirect additive manufacture of maxillofacial prostheses.
Eggbeer, Dominic; Bibb, Richard; Evans, Peter; Ji, Lu
2012-09-01
The efficacy of computer-aided technologies in the design and manufacture of maxillofacial prostheses has not been fully proven. This paper presents research into the evaluation of direct and indirect additive manufacture of a maxillofacial prosthesis against conventional laboratory-based techniques. An implant/magnet-retained nasal prosthesis case from a UK maxillofacial unit was selected as a case study. A benchmark prosthesis was fabricated using conventional laboratory-based techniques for comparison against additive manufactured prostheses. For the computer-aided workflow, photogrammetry, computer-aided design and additive manufacture (AM) methods were evaluated in direct prosthesis body fabrication and indirect production using an additively manufactured mould. Qualitative analysis of position, shape, colour and edge quality was undertaken. Mechanical testing to ISO standards was also used to compare the silicone rubber used in the conventional prosthesis with the AM material. Critical evaluation has shown that utilising a computer-aided work-flow can produce a prosthesis body that is comparable to that produced using existing best practice. Technical limitations currently prevent the direct fabrication method demonstrated in this paper from being clinically viable. This research helps prosthesis providers understand the application of a computer-aided approach and guides technology developers and researchers to address the limitations identified.
Computational modelling of the impact of AIDS on business.
Matthews, Alan P
2007-07-01
An overview of computational modelling of the impact of AIDS on business in South Africa, with a detailed description of the AIDS Projection Model (APM) for companies, developed by the author, and suggestions for further work. Computational modelling of the impact of AIDS on business in South Africa requires modelling of the epidemic as a whole, and of its impact on a company. This paper gives an overview of epidemiological modelling, with an introduction to the Actuarial Society of South Africa (ASSA) model, the most widely used such model for South Africa. The APM produces projections of HIV prevalence, new infections, and AIDS mortality on a company, based on the anonymous HIV testing of company employees, and projections from the ASSA model. A smoothed statistical model of the prevalence test data is computed, and then the ASSA model projection for each category of employees is adjusted so that it matches the measured prevalence in the year of testing. FURTHER WORK: Further techniques that could be developed are microsimulation (representing individuals in the computer), scenario planning for testing strategies, and models for the business environment, such as models of entire sectors, and mapping of HIV prevalence in time and space, based on workplace and community data.
Jürgens, Tim; Clark, Nicholas R; Lecluyse, Wendy; Meddis, Ray
2016-01-01
To use a computer model of impaired hearing to explore the effects of a physiologically-inspired hearing-aid algorithm on a range of psychoacoustic measures. A computer model of a hypothetical impaired listener's hearing was constructed by adjusting parameters of a computer model of normal hearing. Absolute thresholds, estimates of compression, and frequency selectivity (summarized to a hearing profile) were assessed using this model with and without pre-processing the stimuli by a hearing-aid algorithm. The influence of different settings of the algorithm on the impaired profile was investigated. To validate the model predictions, the effect of the algorithm on hearing profiles of human impaired listeners was measured. A computer model simulating impaired hearing (total absence of basilar membrane compression) was used, and three hearing-impaired listeners participated. The hearing profiles of the model and the listeners showed substantial changes when the test stimuli were pre-processed by the hearing-aid algorithm. These changes consisted of lower absolute thresholds, steeper temporal masking curves, and sharper psychophysical tuning curves. The hearing-aid algorithm affected the impaired hearing profile of the model to approximate a normal hearing profile. Qualitatively similar results were found with the impaired listeners' hearing profiles.
Program Aids Specification Of Multiple-Block Grids
NASA Technical Reports Server (NTRS)
Sorenson, R. L.; Mccann, K. M.
1993-01-01
3DPREP computer program aids specification of multiple-block computational grids. Highly interactive graphical preprocessing program designed for use on powerful graphical scientific computer workstation. Divided into three main parts, each corresponding to principal graphical-and-alphanumerical display. Relieves user of some burden of collecting and formatting many data needed to specify blocks and grids, and prepares input data for NASA's 3DGRAPE grid-generating computer program.
ERIC Educational Resources Information Center
Penn-Edwards, Sorrel
2010-01-01
The qualitative research methodology of phenomenography has traditionally required a manual sorting and analysis of interview data. In this paper I explore a potential means of streamlining this procedure by considering a computer aided process not previously reported upon. Two methods of lexicological analysis, manual and automatic, were examined…
Computer-Aided College Algebra: Learning Components that Students Find Beneficial
ERIC Educational Resources Information Center
Aichele, Douglas B.; Francisco, Cynthia; Utley, Juliana; Wescoatt, Benjamin
2011-01-01
A mixed-method study was conducted during the Fall 2008 semester to better understand the experiences of students participating in computer-aided instruction of College Algebra using the software MyMathLab. The learning environment included a computer learning system for the majority of the instruction, a support system via focus groups (weekly…
Computer Aided Instruction: A Study of Student Evaluations and Academic Performance
ERIC Educational Resources Information Center
Collins, David; Deck, Alan; McCrickard, Myra
2008-01-01
Computer aided instruction (CAI) encompasses a broad range of computer technologies that supplement the classroom learning environment and can dramatically increase a student's access to information. Criticism of CAI generally focuses on two issues: it lacks an adequate foundation in educational theory and the software is difficult to implement…
Using Computer Graphics in the 90's.
ERIC Educational Resources Information Center
Towne, Violet A.
Computer-Aided Design, a hands-on program for public school teachers, was first offered in the summer of 1987 as an outgrowth of a 1986 robotics training program. Area technology teachers needed computer-aided design (CAD) training because of a New York State Education system transition from the industrial arts curriculum to a new curriculum in…
ERIC Educational Resources Information Center
Wild, Mary
2009-01-01
The paper reports the results of a randomised control trial investigating the use of computer-aided instruction (CAI) for practising phonological awareness skills with beginning readers. Two intervention groups followed the same phonological awareness programme: one group undertook practice exercises using a computer and the other group undertook…
The Impact of Software on Associate Degree Programs in Electronic Engineering Technology.
ERIC Educational Resources Information Center
Hata, David M.
1986-01-01
Assesses the range and extent of computer assisted instruction software available in electronic engineering technology education. Examines the need for software skills in four areas: (1) high-level languages; (2) assembly language; (3) computer-aided engineering; and (4) computer-aided instruction. Outlines strategies for the future in three…
Computer Code Aids Design Of Wings
NASA Technical Reports Server (NTRS)
Carlson, Harry W.; Darden, Christine M.
1993-01-01
AERO2S computer code developed to aid design engineers in selection and evaluation of aerodynamically efficient wing/canard and wing/horizontal-tail configurations that includes simple hinged-flap systems. Code rapidly estimates longitudinal aerodynamic characteristics of conceptual airplane lifting-surface arrangements. Developed in FORTRAN V on CDC 6000 computer system, and ported to MS-DOS environment.
Computer Aided Grid Interface: An Interactive CFD Pre-Processor
NASA Technical Reports Server (NTRS)
Soni, Bharat K.
1997-01-01
NASA maintains an applications oriented computational fluid dynamics (CFD) efforts complementary to and in support of the aerodynamic-propulsion design and test activities. This is especially true at NASA/MSFC where the goal is to advance and optimize present and future liquid-fueled rocket engines. Numerical grid generation plays a significant role in the fluid flow simulations utilizing CFD. An overall goal of the current project was to develop a geometry-grid generation tool that will help engineers, scientists and CFD practitioners to analyze design problems involving complex geometries in a timely fashion. This goal is accomplished by developing the CAGI: Computer Aided Grid Interface system. The CAGI system is developed by integrating CAD/CAM (Computer Aided Design/Computer Aided Manufacturing) geometric system output and/or Initial Graphics Exchange Specification (IGES) files (including all the NASA-IGES entities), geometry manipulations and generations associated with grid constructions, and robust grid generation methodologies. This report describes the development process of the CAGI system.
Computer Aided Grid Interface: An Interactive CFD Pre-Processor
NASA Technical Reports Server (NTRS)
Soni, Bharat K.
1996-01-01
NASA maintains an applications oriented computational fluid dynamics (CFD) efforts complementary to and in support of the aerodynamic-propulsion design and test activities. This is especially true at NASA/MSFC where the goal is to advance and optimize present and future liquid-fueled rocket engines. Numerical grid generation plays a significant role in the fluid flow simulations utilizing CFD. An overall goal of the current project was to develop a geometry-grid generation tool that will help engineers, scientists and CFD practitioners to analyze design problems involving complex geometries in a timely fashion. This goal is accomplished by developing the Computer Aided Grid Interface system (CAGI). The CAGI system is developed by integrating CAD/CAM (Computer Aided Design/Computer Aided Manufacturing) geometric system output and / or Initial Graphics Exchange Specification (IGES) files (including all the NASA-IGES entities), geometry manipulations and generations associated with grid constructions, and robust grid generation methodologies. This report describes the development process of the CAGI system.
Läufer, Albrecht
2017-03-07
Nature uses enzymes to build and convert biomass; mankind uses the same enzymes and produces them on a large scale to make optimum use of biomass in biorefineries. Bacterial α-amylases and fungal glucoamylases have been the workhorses of starch biorefineries for many decades. Pullulanases were introduced in the 1980s. Proteases, cellulases, hemicellulases, and phytases have been on the market for a few years as process aids, improving yields, performance, and costs. Detailed studies of the complex chemical structures of biomass and of the physicochemical limitations of industrial biorefineries have led enzyme developers to produce novel tailor-made solutions for improving yield and profitability in the industry. This chapter reviews the development of enzyme applications in the major starch biorefining processes.
Manufacturing engineering: Principles for optimization
NASA Astrophysics Data System (ADS)
Koenig, Daniel T.
Various subjects in the area of manufacturing engineering are addressed. The topics considered include: manufacturing engineering organization concepts and management techniques, factory capacity and loading techniques, capital equipment programs, machine tool and equipment selection and implementation, producibility engineering, methods, planning and work management, and process control engineering in job shops. Also discussed are: maintenance engineering, numerical control of machine tools, fundamentals of computer-aided design/computer-aided manufacture, computer-aided process planning and data collection, group technology basis for plant layout, environmental control and safety, and the Integrated Productivity Improvement Program.
Ramezani, Mohammad; Shamsara, Jamal
2017-01-01
MMP-13 belongs to a large family of proteases called matrix metalloproteinases (MMPs) that degrades type II collagen, the main structural protein of articular cartilage. The main pathologic role of MMP-13 over expression is to contribute to the development of osteoarthritis. To find new inhibitors with possible selectivity for MMP-13 a structure based virtual screening was employed. The inhibitory activities of 11 inhibitors among 19 purchased compounds were approved by enzyme inhibition assay. Our results demonstrated that the CADD (computer aided drug design) could be successfully applied to find new MMP-13 inhibitors using a receptor structure (PDB code: 3O2X) which had been demonstrated a good performance in a cross-docking study. We discovered inhibitors with new scaffolds for inhibition of MMP-13 and some selectivity features such as proper S1' occupancy and interactions with S1' pocket that could be subjected to a future lead optimization study. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.
Cardamone, Francesca; Pizzi, Simone; Iacovelli, Federico; Falconi, Mattia; Desideri, Alessandro
2017-01-01
Human topoisomerase IB is an important target in cancer therapy and drugs selectively stabilizing the topoisomerase IB-DNA covalent complex are in clinical use for several cancer types. Tyrosyl- DNA phosphodiesterase 1 is involved in the DNA repair resolving the topoisomerase IB-DNA covalent complex that is extremely dangerous for the survival of the cells since it produces an irreversible DNA damage. Given the close biological relationship between these two enzymes, the development of synergistic inhibitors, called dual-inhibitors, is an important challenge in cancer therapy and computer-aided drug design may help in the identification of the best compounds. In this review, an overview of the compounds inhibiting one of the two enzymes or acting as dual inhibitors is provided. Moreover, the general procedures of the virtual screening approach, providing a description of two widely used opensource programs, namely AutoDock4 and AutoDock Vina, are described. Finally, an application of the two programs on a selected number of dual inhibitors for tyrosyl-DNA phosphodiesterase 1 and topoisomerase IB and their performance is briefly discussed. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.
Comprehensive restriction enzyme lists to update any DNA sequence computer program.
Raschke, E
1993-04-01
Restriction enzyme lists are presented for the practical working geneticist to update any DNA computer program. These lists combine formerly scattered information and contain all presently known restriction enzymes with a unique recognition sequence, a cut site, or methylation (in)sensitivity. The lists are in the shortest possible form to also be functional with small DNA computer programs, and will produce clear restriction maps without any redundancy or loss of information. The lists discern between commercial and noncommercial enzymes, and prototype enzymes and different isoschizomers are cross-referenced. Differences in general methylation sensitivities and (in)sensitivities against Dam and Dcm methylases of Escherichia coli are indicated. Commercial methylases and intron-encoded endonucleases are included. An address list is presented to contact commercial suppliers. The lists are constantly updated and available in electronic form as pure US ASCII files, and in formats for the DNA computer programs DNA-Strider for Apple Macintosh, and DNAsis for IBM personal computers or compatibles via e-mail from the internet address: NETSERV@EMBL-HEIDELBERG.DE by sending only the message HELP RELIBRARY.
Mazzoni, Simona; Marchetti, Claudio; Sgarzani, Rossella; Cipriani, Riccardo; Scotti, Roberto; Ciocca, Leonardo
2013-06-01
The aim of the present study was to evaluate the accuracy of prosthetically guided maxillofacial surgery in reconstructing the mandible with a free vascularized flap using custom-made bone plates and a surgical guide to cut the mandible and fibula. The surgical protocol was applied in a study group of seven consecutive mandibular-reconstructed patients who were compared with a control group treated using the standard preplating technique on stereolithographic models (indirect computer-aided design/computer-aided manufacturing method). The precision of both surgical techniques (prosthetically guided maxillofacial surgery and indirect computer-aided design/computer-aided manufacturing procedure) was evaluated by comparing preoperative and postoperative computed tomographic data and assessment of specific landmarks. With regard to midline deviation, no significant difference was documented between the test and control groups. With regard to mandibular angle shift, only one left angle shift on the lateral plane showed a statistically significant difference between the groups. With regard to angular deviation of the body axis, the data showed a significant difference in the arch deviation. All patients in the control group registered greater than 8 degrees of deviation, determining a facial contracture of the external profile at the lower margin of the mandible. With regard to condylar position, the postoperative condylar position was better in the test group than in the control group, although no significant difference was detected. The new protocol for mandibular reconstruction using computer-aided design/computer-aided manufacturing prosthetically guided maxillofacial surgery to construct custom-made guides and plates may represent a viable method of reproducing the patient's anatomical contour, giving the surgeon better procedural control and reducing procedure time. Therapeutic, III.
Computer-Aided Reliability Estimation
NASA Technical Reports Server (NTRS)
Bavuso, S. J.; Stiffler, J. J.; Bryant, L. A.; Petersen, P. L.
1986-01-01
CARE III (Computer-Aided Reliability Estimation, Third Generation) helps estimate reliability of complex, redundant, fault-tolerant systems. Program specifically designed for evaluation of fault-tolerant avionics systems. However, CARE III general enough for use in evaluation of other systems as well.
Effectiveness of educational technology to improve patient care in pharmacy curricula.
Smith, Michael A; Benedict, Neal
2015-02-17
A review of the literature on the effectiveness of educational technologies to teach patient care skills to pharmacy students was conducted. Nineteen articles met inclusion criteria for the review. Seven of the articles included computer-aided instruction, 4 utilized human-patient simulation, 1 used both computer-aided instruction and human-patient simulation, and 7 utilized virtual patients. Educational technology was employed with more than 2700 students at 12 colleges and schools of pharmacy in courses including pharmacotherapeutics, skills and patient care laboratories, drug diversion, and advanced pharmacy practice experience (APPE) orientation. Students who learned by means of human-patient simulation and virtual patients reported enjoying the learning activity, whereas the results with computer-aided instruction were mixed. Moreover, the effect on learning was significant in the human-patient simulation and virtual patient studies, while conflicting data emerged on the effectiveness of computer-aided instruction.
Baroudi, Kusai; Ibraheem, Shukran Nasser
2015-01-01
Background: This paper aimed to evaluate the application of computer-aided design and computer-aided manufacturing (CAD-CAM) technology and the factors that affect the survival of restorations. Materials and Methods: A thorough literature search using PubMed, Medline, Embase, Science Direct, Wiley Online Library and Grey literature were performed from the year 2004 up to June 2014. Only relevant research was considered. Results: The use of chair-side CAD/CAM systems is promising in all dental branches in terms of minimizing time and effort made by dentists, technicians and patients for restoring and maintaining patient oral function and aesthetic, while providing high quality outcome. Conclusion: The way of producing and placing the restorations made with the chair-side CAD/CAM (CEREC and E4D) devices is better than restorations made by conventional laboratory procedures. PMID:25954082
Computer-aided design/computer-aided manufacturing skull base drill.
Couldwell, William T; MacDonald, Joel D; Thomas, Charles L; Hansen, Bradley C; Lapalikar, Aniruddha; Thakkar, Bharat; Balaji, Alagar K
2017-05-01
The authors have developed a simple device for computer-aided design/computer-aided manufacturing (CAD-CAM) that uses an image-guided system to define a cutting tool path that is shared with a surgical machining system for drilling bone. Information from 2D images (obtained via CT and MRI) is transmitted to a processor that produces a 3D image. The processor generates code defining an optimized cutting tool path, which is sent to a surgical machining system that can drill the desired portion of bone. This tool has applications for bone removal in both cranial and spine neurosurgical approaches. Such applications have the potential to reduce surgical time and associated complications such as infection or blood loss. The device enables rapid removal of bone within 1 mm of vital structures. The validity of such a machining tool is exemplified in the rapid (< 3 minutes machining time) and accurate removal of bone for transtemporal (for example, translabyrinthine) approaches.
The Research of Computer Aided Farm Machinery Designing Method Based on Ergonomics
NASA Astrophysics Data System (ADS)
Gao, Xiyin; Li, Xinling; Song, Qiang; Zheng, Ying
Along with agricultural economy development, the farm machinery product type Increases gradually, the ergonomics question is also getting more and more prominent. The widespread application of computer aided machinery design makes it possible that farm machinery design is intuitive, flexible and convenient. At present, because the developed computer aided ergonomics software has not suitable human body database, which is needed in view of farm machinery design in China, the farm machinery design have deviation in ergonomics analysis. This article puts forward that using the open database interface procedure in CATIA to establish human body database which aims at the farm machinery design, and reading the human body data to ergonomics module of CATIA can product practical application virtual body, using human posture analysis and human activity analysis module to analysis the ergonomics in farm machinery, thus computer aided farm machinery designing method based on engineering can be realized.
An esthetics rehabilitation with computer-aided design/ computer-aided manufacturing technology.
Mazaro, Josá Vitor Quinelli; de Mello, Caroline Cantieri; Zavanelli, Adriana Cristina; Santiago, Joel Ferreira; Amoroso, Andressa Paschoal; Pellizzer, Eduardo Piza
2014-07-01
This paper describes a case of a rehabilitation involving Computer Aided Design/Computer Aided Manufacturing (CAD-CAM) system in implant supported and dental supported prostheses using zirconia as framework. The CAD-CAM technology has developed considerably over last few years, becoming a reality in dental practice. Among the widely used systems are the systems based on zirconia which demonstrate important physical and mechanical properties of high strength, adequate fracture toughness, biocompatibility and esthetics, and are indicated for unitary prosthetic restorations and posterior and anterior framework. All the modeling was performed by using CAD-CAM system and prostheses were cemented using resin cement best suited for each situation. The rehabilitation of the maxillary arch using zirconia framework demonstrated satisfactory esthetic and functional results after a 12-month control and revealed no biological and technical complications. This article shows the important of use technology CAD/CAM in the manufacture of dental prosthesis and implant-supported.
NASA Astrophysics Data System (ADS)
Liu, George S.; Kim, Jinkyung; Applegate, Brian E.; Oghalai, John S.
2017-07-01
Diseases that cause hearing loss and/or vertigo in humans such as Meniere's disease are often studied using animal models. The volume of endolymph within the inner ear varies with these diseases. Here, we used a mouse model of increased endolymph volume, endolymphatic hydrops, to develop a computer-aided objective approach to measure endolymph volume from images collected in vivo using optical coherence tomography. The displacement of Reissner's membrane from its normal position was measured in cochlear cross sections. We validated our computer-aided measurements with manual measurements and with trained observer labels. This approach allows for computer-aided detection of endolymphatic hydrops in mice, with test performance showing sensitivity of 91% and specificity of 87% using a running average of five measurements. These findings indicate that this approach is accurate and reliable for classifying endolymphatic hydrops and quantifying endolymph volume.
Computer Aided Dosimetry and Verification of Exposure to Radiation
2002-06-01
Event matrix 2. Hematopoietic * Absolute blood counts * Relative blood counts 3. Dosimetry * TLD * EPDQuantitative * Radiation survey * Whole body...EI1 Defence Research and Recherche et developpement Development Canada pour la d6fense Canada DEFENCE •mI•DEFENSE Computer Aided Dosimetry and...Aided Dosimetry and Verification of Exposure to Radiation Edward Waller SAIC Canada Robert Z Stodilka Radiation Effects Group, Space Systems and
Ismail, Hanafy M.; O’Neill, Paul M.; Hong, David W.; Finn, Robert D.; Henderson, Colin J.; Wright, Aaron T.; Cravatt, Benjamin F.; Hemingway, Janet; Paine, Mark J. I.
2013-01-01
Pyrethroid insecticides are used to control diseases spread by arthropods. We have developed a suite of pyrethroid mimetic activity-based probes (PyABPs) to selectively label and identify P450s associated with pyrethroid metabolism. The probes were screened against pyrethroid-metabolizing and nonmetabolizing mosquito P450s, as well as rodent microsomes, to measure labeling specificity, plus cytochrome P450 oxidoreductase and b5 knockout mouse livers to validate P450 activation and establish the role for b5 in probe activation. Using PyABPs, we were able to profile active enzymes in rat liver microsomes and identify pyrethroid-metabolizing enzymes in the target tissue. These included P450s as well as related detoxification enzymes, notably UDP-glucuronosyltransferases, suggesting a network of associated pyrethroid-metabolizing enzymes, or “pyrethrome.” Considering the central role P450s play in metabolizing insecticides, we anticipate that PyABPs will aid in the identification and profiling of P450s associated with insecticide pharmacology in a wide range of species, improving understanding of P450–insecticide interactions and aiding the development of unique tools for disease control. PMID:24248381
Analogs of diadenosine tetraphosphate (Ap4A).
Guranowski, Andrzej
2003-01-01
This review summarizes our knowledge of analogs and derivatives of diadenosine 5',5"'-P1,P4-tetraphosphate (Ap4A), the most extensively studied member of the dinucleoside 5',5"'-P1,Pn-polyphosphate (NpnN) family. After a short discussion of enzymes that may be responsible for the accumulation and degradation of Np4)N's in the cell, this review focuses on chemically and/or enzymatically produced analogs and their practical applications. Particular attention is paid to compounds that have aided the study of enzymes involved in the metabolism of Ap4A (Np4N'). Certain Ap4A analogs were alternative substrates of Ap4A-degrading enzymes and/or acted as enzyme inhibitors, some other helped to establish enzyme mechanisms, increased the sensitivity of certain enzyme assays or produced stable enzyme:ligand complexes for structural analysis.
Physics-based enzyme design: predicting binding affinity and catalytic activity.
Sirin, Sarah; Pearlman, David A; Sherman, Woody
2014-12-01
Computational enzyme design is an emerging field that has yielded promising success stories, but where numerous challenges remain. Accurate methods to rapidly evaluate possible enzyme design variants could provide significant value when combined with experimental efforts by reducing the number of variants needed to be synthesized and speeding the time to reach the desired endpoint of the design. To that end, extending our computational methods to model the fundamental physical-chemical principles that regulate activity in a protocol that is automated and accessible to a broad population of enzyme design researchers is essential. Here, we apply a physics-based implicit solvent MM-GBSA scoring approach to enzyme design and benchmark the computational predictions against experimentally determined activities. Specifically, we evaluate the ability of MM-GBSA to predict changes in affinity for a steroid binder protein, catalytic turnover for a Kemp eliminase, and catalytic activity for α-Gliadin peptidase variants. Using the enzyme design framework developed here, we accurately rank the most experimentally active enzyme variants, suggesting that this approach could provide enrichment of active variants in real-world enzyme design applications. © 2014 Wiley Periodicals, Inc.
Integrative computational approach for genome-based study of microbial lipid-degrading enzymes.
Vorapreeda, Tayvich; Thammarongtham, Chinae; Laoteng, Kobkul
2016-07-01
Lipid-degrading or lipolytic enzymes have gained enormous attention in academic and industrial sectors. Several efforts are underway to discover new lipase enzymes from a variety of microorganisms with particular catalytic properties to be used for extensive applications. In addition, various tools and strategies have been implemented to unravel the functional relevance of the versatile lipid-degrading enzymes for special purposes. This review highlights the study of microbial lipid-degrading enzymes through an integrative computational approach. The identification of putative lipase genes from microbial genomes and metagenomic libraries using homology-based mining is discussed, with an emphasis on sequence analysis of conserved motifs and enzyme topology. Molecular modelling of three-dimensional structure on the basis of sequence similarity is shown to be a potential approach for exploring the structural and functional relationships of candidate lipase enzymes. The perspectives on a discriminative framework of cutting-edge tools and technologies, including bioinformatics, computational biology, functional genomics and functional proteomics, intended to facilitate rapid progress in understanding lipolysis mechanism and to discover novel lipid-degrading enzymes of microorganisms are discussed.
NASA Astrophysics Data System (ADS)
So, Sung-Sau; Karplus, Martin
2001-07-01
Glycogen phosphorylase (GP) is an important enzyme that regulates blood glucose level and a key therapeutic target for the treatment of type II diabetes. In this study, a number of potential GP inhibitors are designed with a variety of computational approaches. They include the applications of MCSS, LUDI and CoMFA to identify additional fragments that can be attached to existing lead molecules; the use of 2D and 3D similarity-based QSAR models (HQSAR and SMGNN) and of the LUDI program to identify novel molecules that may bind to the glucose binding site. The designed ligands are evaluated by a multiple screening method, which is a combination of commercial and in-house ligand-receptor binding affinity prediction programs used in a previous study (So and Karplus, J. Comp.-Aid. Mol. Des., 13 (1999), 243-258). Each method is used at an appropriate point in the screening, as determined by both the accuracy of the calculations and the computational cost. A comparison of the strengths and weaknesses of the ligand design approaches is made.
Levman, Jacob E D; Gallego-Ortiz, Cristina; Warner, Ellen; Causer, Petrina; Martel, Anne L
2016-02-01
Magnetic resonance imaging (MRI)-enabled cancer screening has been shown to be a highly sensitive method for the early detection of breast cancer. Computer-aided detection systems have the potential to improve the screening process by standardizing radiologists to a high level of diagnostic accuracy. This retrospective study was approved by the institutional review board of Sunnybrook Health Sciences Centre. This study compares the performance of a proposed method for computer-aided detection (based on the second-order spatial derivative of the relative signal intensity) with the signal enhancement ratio (SER) on MRI-based breast screening examinations. Comparison is performed using receiver operating characteristic (ROC) curve analysis as well as free-response receiver operating characteristic (FROC) curve analysis. A modified computer-aided detection system combining the proposed approach with the SER method is also presented. The proposed method provides improvements in the rates of false positive markings over the SER method in the detection of breast cancer (as assessed by FROC analysis). The modified computer-aided detection system that incorporates both the proposed method and the SER method yields ROC results equal to that produced by SER while simultaneously providing improvements over the SER method in terms of false positives per noncancerous exam. The proposed method for identifying malignancies outperforms the SER method in terms of false positives on a challenging dataset containing many small lesions and may play a useful role in breast cancer screening by MRI as part of a computer-aided detection system.
ERIC Educational Resources Information Center
Pollard, Jim
This report reviews eight IBM-compatible software packages that are available to secondary schools to teach computer-aided drafting (CAD). Software packages to be considered were selected following reviews of CAD periodicals, computers in education periodicals, advertisements, and recommendations of teachers. The packages were then rated by…
ERIC Educational Resources Information Center
O'Brien, George M.
This paper reports on an on-going experiment in computer-aided language instruction. In 1972, a class of beginning German students at the Duluth campus of the University of Minnesota volunteered to test two pedagogic theories: (1) Could a computer-aided course be used by a class and an instructor who knew nothing of computers and who had to rely…
2011-02-01
Command CASE Computer Aided Software Engineering CASEVAC Casualty Evacuation CASTFOREM Combined Arms And Support Task Force Evaluation Model CAT Center For...Advanced Technologies CAT Civil Affairs Team CAT Combined Arms Training CAT Crew Integration CAT Crisis Action Team CATIA Computer-Aided Three...Dimensional Interactive Application CATOX Catalytic Oxidation CATS Combined Arms Training Strategy CATT Combined Arms Tactical Trainer CATT Computer
Fukunishi, Yoshifumi; Mashimo, Tadaaki; Misoo, Kiyotaka; Wakabayashi, Yoshinori; Miyaki, Toshiaki; Ohta, Seiji; Nakamura, Mayu; Ikeda, Kazuyoshi
2016-01-01
Computer-aided drug design is still a state-of-the-art process in medicinal chemistry, and the main topics in this field have been extensively studied and well reviewed. These topics include compound databases, ligand-binding pocket prediction, protein-compound docking, virtual screening, target/off-target prediction, physical property prediction, molecular simulation and pharmacokinetics/pharmacodynamics (PK/PD) prediction. Message and Conclusion: However, there are also a number of secondary or miscellaneous topics that have been less well covered. For example, methods for synthesizing and predicting the synthetic accessibility (SA) of designed compounds are important in practical drug development, and hardware/software resources for performing the computations in computer-aided drug design are crucial. Cloud computing and general purpose graphics processing unit (GPGPU) computing have been used in virtual screening and molecular dynamics simulations. Not surprisingly, there is a growing demand for computer systems which combine these resources. In the present review, we summarize and discuss these various topics of drug design.
Fukunishi, Yoshifumi; Mashimo, Tadaaki; Misoo, Kiyotaka; Wakabayashi, Yoshinori; Miyaki, Toshiaki; Ohta, Seiji; Nakamura, Mayu; Ikeda, Kazuyoshi
2016-01-01
Abstract: Background Computer-aided drug design is still a state-of-the-art process in medicinal chemistry, and the main topics in this field have been extensively studied and well reviewed. These topics include compound databases, ligand-binding pocket prediction, protein-compound docking, virtual screening, target/off-target prediction, physical property prediction, molecular simulation and pharmacokinetics/pharmacodynamics (PK/PD) prediction. Message and Conclusion: However, there are also a number of secondary or miscellaneous topics that have been less well covered. For example, methods for synthesizing and predicting the synthetic accessibility (SA) of designed compounds are important in practical drug development, and hardware/software resources for performing the computations in computer-aided drug design are crucial. Cloud computing and general purpose graphics processing unit (GPGPU) computing have been used in virtual screening and molecular dynamics simulations. Not surprisingly, there is a growing demand for computer systems which combine these resources. In the present review, we summarize and discuss these various topics of drug design. PMID:27075578
Phosphorylation promotes activation-induced cytidine deaminase activity at the Myc oncogene
2017-01-01
Activation-induced cytidine deaminase (AID) is a mutator enzyme that targets immunoglobulin (Ig) genes to initiate antibody somatic hypermutation (SHM) and class switch recombination (CSR). Off-target AID association also occurs, which causes oncogenic mutations and chromosome rearrangements. However, AID occupancy does not directly correlate with DNA damage, suggesting that factors beyond AID association contribute to mutation targeting. CSR and SHM are regulated by phosphorylation on AID serine38 (pS38), but the role of pS38 in off-target activity has not been evaluated. We determined that lithium, a clinically used therapeutic, induced high AID pS38 levels. Using lithium and an AID-S38 phospho mutant, we compared the role of pS38 in AID activity at the Ig switch region and off-target Myc gene. We found that deficient pS38 abated AID chromatin association and CSR but not mutation at Myc. Enhanced pS38 elevated Myc translocation and mutation frequency but not CSR or Ig switch region mutation. Thus, AID activity can be differentially targeted by phosphorylation to induce oncogenic lesions. PMID:29122947
Shaded-Color Picture Generation of Computer-Defined Arbitrary Shapes
NASA Technical Reports Server (NTRS)
Cozzolongo, J. V.; Hermstad, D. L.; Mccoy, D. S.; Clark, J.
1986-01-01
SHADE computer program generates realistic color-shaded pictures from computer-defined arbitrary shapes. Objects defined for computer representation displayed as smooth, color-shaded surfaces, including varying degrees of transparency. Results also used for presentation of computational results. By performing color mapping, SHADE colors model surface to display analysis results as pressures, stresses, and temperatures. NASA has used SHADE extensively in sign and analysis of high-performance aircraft. Industry should find applications for SHADE in computer-aided design and computer-aided manufacturing. SHADE written in VAX FORTRAN and MACRO Assembler for either interactive or batch execution.
DOT National Transportation Integrated Search
2003-10-01
The purpose of this document is to expand upon the evaluation components presented in "Computer-aided dispatch--traffic management center field operational test final evaluation plan : WSDOT deployment". This document defines the objective, approach,...
DOT National Transportation Integrated Search
2006-05-01
This document provides the final report for the evaluation of the USDOT-sponsored Computer-Aided Dispatch - Traffic Management Center Integration Field Operations Test in the State of Washington. The document discusses evaluation findings in the foll...
DOT National Transportation Integrated Search
1999-09-01
This report documents what happened to employees' work procedures when their employer when their employer installed Computer Aided Disptach/Automatic Vehicle Locator (CAD/AVL) technology to provide real-time surveillance of vehicles and to upgrade ra...
The University of Michigan's Computer-Aided Engineering Network.
ERIC Educational Resources Information Center
Atkins, D. E.; Olsen, Leslie A.
1986-01-01
Presents an overview of the Computer-Aided Engineering Network (CAEN) of the University of Michigan. Describes its arrangement of workstations, communication networks, and servers. Outlines the factors considered in hardware and software decision making. Reviews the program's impact on students. (ML)
Computer-aided engineering of semiconductor integrated circuits
NASA Astrophysics Data System (ADS)
Meindl, J. D.; Dutton, R. W.; Gibbons, J. F.; Helms, C. R.; Plummer, J. D.; Tiller, W. A.; Ho, C. P.; Saraswat, K. C.; Deal, B. E.; Kamins, T. I.
1980-07-01
Economical procurement of small quantities of high performance custom integrated circuits for military systems is impeded by inadequate process, device and circuit models that handicap low cost computer aided design. The principal objective of this program is to formulate physical models of fabrication processes, devices and circuits to allow total computer-aided design of custom large-scale integrated circuits. The basic areas under investigation are (1) thermal oxidation, (2) ion implantation and diffusion, (3) chemical vapor deposition of silicon and refractory metal silicides, (4) device simulation and analytic measurements. This report discusses the fourth year of the program.
CAD system for footwear design based on whole real 3D data of last surface
NASA Astrophysics Data System (ADS)
Song, Wanzhong; Su, Xianyu
2000-10-01
Two major parts of application of CAD in footwear design are studied: the development of last surface; computer-aided design of planar shoe-template. A new quasi-experiential development algorithm of last surface based on triangulation approximation is presented. This development algorithm consumes less time and does not need any interactive operation for precisely development compared with other development algorithm of last surface. Based on this algorithm, a software, SHOEMAKERTM, which contains computer aided automatic measurement, automatic development of last surface and computer aide design of shoe-template has been developed.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Ismail, Hanafy M.; O'Neill, Paul M.; Hong, David
2014-01-18
Pyrethroid insecticides are used to control a diverse spectrum of diseases spread by arthropods. We have developed a suite of pyrethroid mimetic activity based probes (PyABPs) to selectively label and identify P450s associated with pyrethroid metabolism. The probes were screened against pyrethroid metabolizing and non-metabolizing mosquito P450s, as well as rodent microsomes to measure labeling specificity, plus CPR and b5 knockout mouse livers to validate P450 activation and establish the role for b5 in probe activation. Using a deltamethrin mimetic PyABP we were able to profile active enzymes in rat liver microsomes and identify pyrethroid metabolizing enzymes in the targetmore » tissue. The most reactive enzyme was a P450, CYP2C11, which is known to metabolize deltamethrin. Furthermore, several other pyrethroid metabolizers were identified (CYPs 2C6, 3A4, 2C13 and 2D1) along with related detoxification enzymes, notably UDP-g’s 2B1 - 5, suggesting a network of associated pyrethroid metabolizing enzymes, or ‘pyrethrome’. Considering the central role that P450s play in metabolizing insecticides, we anticipate that PyABPs will aid the identification and profiling of P450s associated with insecticide pharmacology in a wide range of species, improving understanding of P450-insecticide interactions and aiding the development of new tools for disease control.« less
Training Aids for Online Instruction: An Analysis.
ERIC Educational Resources Information Center
Guy, Robin Frederick
This paper describes a number of different types of training aids currently employed in online training: non-interactive audiovisual presentations; interactive computer-based aids; partially interactive aids based on recorded searches; print-based materials; and kits. The advantages and disadvantages of each type of aid are noted, and a table…
Financial Aid for Full-Time Undergraduates. Higher Education Panel Report Number 60.
ERIC Educational Resources Information Center
Andersen, Charles J.
The level and composition of student financial aid for undergraduate students were estimated, with attention to estimated number of aid recipients, the total amount they received, the distribution of aided students by their families' income level, the composition of their aid packages, and the use of computers in the administration of aid. In…
Computational enzyme design: transitioning from catalytic proteins to enzymes.
Mak, Wai Shun; Siegel, Justin B
2014-08-01
The widespread interest in enzymes stem from their ability to catalyze chemical reactions under mild and ecologically friendly conditions with unparalleled catalytic proficiencies. While thousands of naturally occurring enzymes have been identified and characterized, there are still numerous important applications for which there are no biological catalysts capable of performing the desired chemical transformation. In order to engineer enzymes for which there is no natural starting point, efforts using a combination of quantum chemistry and force-field based protein molecular modeling have led to the design of novel proteins capable of catalyzing chemical reactions not catalyzed by naturally occurring enzymes. Here we discuss the current status and potential avenues to pursue as the field of computational enzyme design moves forward. Published by Elsevier Ltd.
2017-08-08
Usability Studies In Virtual And Traditional Computer Aided Design Environments For Fault Identification Dr. Syed Adeel Ahmed, Xavier University...virtual environment with wand interfaces compared directly with a workstation non-stereoscopic traditional CAD interface with keyboard and mouse. In...the differences in interaction when compared with traditional human computer interfaces. This paper provides analysis via usability study methods
A State-of-the-Art Review of the Real-Time Computer-Aided Study of the Writing Process
ERIC Educational Resources Information Center
Abdel Latif, Muhammad M.
2008-01-01
Writing researchers have developed various methods for investigating the writing process since the 1970s. The early 1980s saw the occurrence of the real-time computer-aided study of the writing process that relies on the protocols generated by recording the computer screen activities as writers compose using the word processor. This article…
ERIC Educational Resources Information Center
National Center for State Courts, Williamsburg, VA.
This report summarizes the findings of the Computer-Aided Transcription (CAT) Project, which conducted a 14-month study of the technology and use of computer systems for translating into English the shorthand notes taken by court reporters on stenotype machines. Included are the state of the art of CAT at the end of 1980 and anticipated future…
Wusor II: A Computer Aided Instruction Program with Student Modelling Capabilities. AI Memo 417.
ERIC Educational Resources Information Center
Carr, Brian
Wusor II is the second intelligent computer aided instruction (ICAI) program that has been developed to monitor the progress of, and offer suggestions to, students playing Wumpus, a computer game designed to teach logical thinking and problem solving. From the earlier efforts with Wusor I, it was possible to produce a rule-based expert which…
Jacobson, R H; Downing, D R; Lynch, T J
1982-11-15
A computer-assisted enzyme-linked immunosorbent assay (ELISA) system, based on kinetics of the reaction between substrate and enzyme molecules, was developed for testing large numbers of sera in laboratory applications. Systematic and random errors associated with conventional ELISA technique were identified leading to results formulated on a statistically validated, objective, and standardized basis. In a parallel development, an inexpensive system for field and veterinary office applications contained many of the qualities of the computer-assisted ELISA. This system uses a fluorogenic indicator (rather than the enzyme-substrate interaction) in a rapid test (15 to 20 minutes' duration) which promises broad application in serodiagnosis.
Computational System For Rapid CFD Analysis In Engineering
NASA Technical Reports Server (NTRS)
Barson, Steven L.; Ascoli, Edward P.; Decroix, Michelle E.; Sindir, Munir M.
1995-01-01
Computational system comprising modular hardware and software sub-systems developed to accelerate and facilitate use of techniques of computational fluid dynamics (CFD) in engineering environment. Addresses integration of all aspects of CFD analysis process, including definition of hardware surfaces, generation of computational grids, CFD flow solution, and postprocessing. Incorporates interfaces for integration of all hardware and software tools needed to perform complete CFD analysis. Includes tools for efficient definition of flow geometry, generation of computational grids, computation of flows on grids, and postprocessing of flow data. System accepts geometric input from any of three basic sources: computer-aided design (CAD), computer-aided engineering (CAE), or definition by user.
Unit cell-based computer-aided manufacturing system for tissue engineering.
Kang, Hyun-Wook; Park, Jeong Hun; Kang, Tae-Yun; Seol, Young-Joon; Cho, Dong-Woo
2012-03-01
Scaffolds play an important role in the regeneration of artificial tissues or organs. A scaffold is a porous structure with a micro-scale inner architecture in the range of several to several hundreds of micrometers. Therefore, computer-aided construction of scaffolds should provide sophisticated functionality for porous structure design and a tool path generation strategy that can achieve micro-scale architecture. In this study, a new unit cell-based computer-aided manufacturing (CAM) system was developed for the automated design and fabrication of a porous structure with micro-scale inner architecture that can be applied to composite tissue regeneration. The CAM system was developed by first defining a data structure for the computing process of a unit cell representing a single pore structure. Next, an algorithm and software were developed and applied to construct porous structures with a single or multiple pore design using solid freeform fabrication technology and a 3D tooth/spine computer-aided design model. We showed that this system is quite feasible for the design and fabrication of a scaffold for tissue engineering.
Quantum Mechanical Modeling: A Tool for the Understanding of Enzyme Reactions
Náray-Szabó, Gábor; Oláh, Julianna; Krámos, Balázs
2013-01-01
Most enzyme reactions involve formation and cleavage of covalent bonds, while electrostatic effects, as well as dynamics of the active site and surrounding protein regions, may also be crucial. Accordingly, special computational methods are needed to provide an adequate description, which combine quantum mechanics for the reactive region with molecular mechanics and molecular dynamics describing the environment and dynamic effects, respectively. In this review we intend to give an overview to non-specialists on various enzyme models as well as established computational methods and describe applications to some specific cases. For the treatment of various enzyme mechanisms, special approaches are often needed to obtain results, which adequately refer to experimental data. As a result of the spectacular progress in the last two decades, most enzyme reactions can be quite precisely treated by various computational methods. PMID:24970187
DOT National Transportation Integrated Search
2006-07-01
This document provides the final report for the evaluation of the USDOT-sponsored Computer-Aided Dispatch Traffic Management Center Integration Field Operations Test in the State of Utah. The document discusses evaluation findings in the followin...
USE OF COMPUTER-AIDED PROCESS ENGINEERING TOOL IN POLLUTION PREVENTION
Computer-Aided Process Engineering has become established in industry as a design tool. With the establishment of the CAPE-OPEN software specifications for process simulation environments. CAPE-OPEN provides a set of "middleware" standards that enable software developers to acces...
ERIC Educational Resources Information Center
Boardman, D.
1979-01-01
Practical experience has shown that computer aided design programs can provide an invaluable aid in the learning process when integrated into the syllabus in lecture and laboratory periods. This should be a major area of future development of computer assisted learning in engineering education. (Author/CMV)
DOT National Transportation Integrated Search
2004-01-01
The purpose of this document is to expand upon the evaluation components presented in "Computer-aided dispatch--traffic management center field operational test final evaluation plan : state of Utah". This document defines the objective, approach, an...
Computer-Aided Geometry Modeling
NASA Technical Reports Server (NTRS)
Shoosmith, J. N. (Compiler); Fulton, R. E. (Compiler)
1984-01-01
Techniques in computer-aided geometry modeling and their application are addressed. Mathematical modeling, solid geometry models, management of geometric data, development of geometry standards, and interactive and graphic procedures are discussed. The applications include aeronautical and aerospace structures design, fluid flow modeling, and gas turbine design.
APPLICATION OF COMPUTER AIDED TOMOGRAPHY (CAT) TO THE STUDY OF MARINE BENTIC COMMUNITIES
Sediment cores were imaged using a Computer-Aided Tomography (CT) scanner at Massachusetts General Hospital, Boston, Massachusetts, United States. Procedures were developed, using the attenuation of X-rays, to differentiate between sediment and the water contained in macrobenthic...
A tutorial on the use of ROC analysis for computer-aided diagnostic systems.
Scheipers, Ulrich; Perrey, Christian; Siebers, Stefan; Hansen, Christian; Ermert, Helmut
2005-07-01
The application of the receiver operating characteristic (ROC) curve for computer-aided diagnostic systems is reviewed. A statistical framework is presented and different methods of evaluating the classification performance of computer-aided diagnostic systems, and, in particular, systems for ultrasonic tissue characterization, are derived. Most classifiers that are used today are dependent on a separation threshold, which can be chosen freely in many cases. The separation threshold separates the range of output values of the classification system into different target groups, thus conducting the actual classification process. In the first part of this paper, threshold specific performance measures, e.g., sensitivity and specificity, are presented. In the second part, a threshold-independent performance measure, the area under the ROC curve, is reviewed. Only the use of separation threshold-independent performance measures provides classification results that are overall representative for computer-aided diagnostic systems. The following text was motivated by the lack of a complete and definite discussion of the underlying subject in available textbooks, references and publications. Most manuscripts published so far address the theme of performance evaluation using ROC analysis in a manner too general to be practical for everyday use in the development of computer-aided diagnostic systems. Nowadays, the user of computer-aided diagnostic systems typically handles huge amounts of numerical data, not always distributed normally. Many assumptions made in more or less theoretical works on ROC analysis are no longer valid for real-life data. The paper aims at closing the gap between theoretical works and real-life data. The review provides the interested scientist with information needed to conduct ROC analysis and to integrate algorithms performing ROC analysis into classification systems while understanding the basic principles of classification.
Role of conformational dynamics in the evolution of novel enzyme function.
Maria-Solano, Miguel A; Serrano-Hervás, Eila; Romero-Rivera, Adrian; Iglesias-Fernández, Javier; Osuna, Sílvia
2018-05-21
The free energy landscape concept that describes enzymes as an ensemble of differently populated conformational sub-states in dynamic equilibrium is key for evaluating enzyme activity, enantioselectivity, and specificity. Mutations introduced in the enzyme sequence can alter the populations of the pre-existing conformational states, thus strongly modifying the enzyme ability to accommodate alternative substrates, revert its enantiopreferences, and even increase the activity for some residual promiscuous reactions. In this feature article, we present an overview of the current experimental and computational strategies to explore the conformational free energy landscape of enzymes. We provide a series of recent publications that highlight the key role of conformational dynamics for the enzyme evolution towards new functions and substrates, and provide some perspectives on how conformational dynamism should be considered in future computational enzyme design protocols.
Some Workplace Effects of CAD and CAM.
ERIC Educational Resources Information Center
Ebel, Karl-H.; Ulrich, Erhard
1987-01-01
Examines the impact of computer-aided design (CAD) and computer-aided manufacturing (CAM) on employment, work organization, working conditions, job content, training, and industrial relations in several countries. Finds little evidence of negative employment effects since productivity gains are offset by various compensatory factors. (Author/CH)
Society for College Science Teachers: High Technology.
ERIC Educational Resources Information Center
Menefee, Robert
1983-01-01
Presents findings of a study group on high technology charged with determining a definition, assessing current educational response, and examining implications for the future. Topics addressed include: super-techs; computer-aided design/computer-aided manufacture (CAD/CAM); structural unemployment; a two-plus-two curriculum; and educational…
The Power of Computer-aided Tomography to Investigate Marine Benthic Communities
Utilization of Computer-aided-Tomography (CT) technology is a powerful tool to investigate benthic communities in aquatic systems. In this presentation, we will attempt to summarize our 15 years of experience in developing specific CT methods and applications to marine benthic co...
DOT National Transportation Integrated Search
1989-01-01
Future levels of air traffic control automation plan to incorporate computer aiding features designed to alert the controller to upcoming problem situations by displaying information that will identify the situation and suggest possible solutions. Co...
A Simple and Resource-efficient Setup for the Computer-aided Drug Design Laboratory.
Moretti, Loris; Sartori, Luca
2016-10-01
Undertaking modelling investigations for Computer-Aided Drug Design (CADD) requires a proper environment. In principle, this could be done on a single computer, but the reality of a drug discovery program requires robustness and high-throughput computing (HTC) to efficiently support the research. Therefore, a more capable alternative is needed but its implementation has no widespread solution. Here, the realization of such a computing facility is discussed, from general layout to technical details all aspects are covered. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.
Microwave processing of a dental ceramic used in computer-aided design/computer-aided manufacturing.
Pendola, Martin; Saha, Subrata
2015-01-01
Because of their favorable mechanical properties and natural esthetics, ceramics are widely used in restorative dentistry. The conventional ceramic sintering process required for their use is usually slow, however, and the equipment has an elevated energy consumption. Sintering processes that use microwaves have several advantages compared to regular sintering: shorter processing times, lower energy consumption, and the capacity for volumetric heating. The objective of this study was to test the mechanical properties of a dental ceramic used in computer-aided design/computer-aided manufacturing (CAD/CAM) after the specimens were processed with microwave hybrid sintering. Density, hardness, and bending strength were measured. When ceramic specimens were sintered with microwaves, the processing times were reduced and protocols were simplified. Hardness was improved almost 20% compared to regular sintering, and flexural strength measurements suggested that specimens were approximately 50% stronger than specimens sintered in a conventional system. Microwave hybrid sintering may preserve or improve the mechanical properties of dental ceramics designed for CAD/CAM processing systems, reducing processing and waiting times.
The effects of computer-aided design software on engineering students' spatial visualisation skills
NASA Astrophysics Data System (ADS)
Kösa, Temel; Karakuş, Fatih
2018-03-01
The purpose of this study was to determine the influence of computer-aided design (CAD) software-based instruction on the spatial visualisation skills of freshman engineering students in a computer-aided engineering drawing course. A quasi-experimental design was applied, using the Purdue Spatial Visualization Test-Visualization of Rotations (PSVT:R) for both the pre- and the post-test. The participants were 116 freshman students in the first year of their undergraduate programme in the Department of Mechanical Engineering at a university in Turkey. A total of 72 students comprised the experimental group; they were instructed with CAD-based activities in an engineering drawing course. The control group consisted of 44 students who did not attend this course. The results of the study showed that a CAD-based engineering drawing course had a positive effect on developing engineering students' spatial visualisation skills. Additionally, the results of the study showed that spatial visualisation skills can be a predictor for success in a computer-aided engineering drawing course.
[Computer aided design for fixed partial denture framework based on reverse engineering technology].
Sun, Yu-chun; Lü, Pei-jun; Wang, Yong
2006-03-01
To explore a computer aided design (CAD) route for the framework of domestic fixed partial denture (FPD) and confirm the suitable method of 3-D CAD. The working area of a dentition model was scanned with a 3-D mechanical scanner. Using the reverse engineering (RE) software, margin and border curves were extracted and several reference curves were created to ensure the dimension and location of pontic framework that was taken from the standard database. The shoulder parts of the retainers were created after axial surfaces constructed. The connecting areas, axial line and curving surface of the framework connector were finally created. The framework of a three-unit FPD was designed with RE technology, which showed smooth surfaces and continuous contours. The design route is practical. The result of this study is significant in theory and practice, which will provide a reference for establishing the computer aided design/computer aided manufacture (CAD/CAM) system of domestic FPD.
Awad, Mohamed Moustafa; Alqahtani, H; Al-Mudahi, A; Murayshed, M S; Alrahlah, A; Bhandi, Shilpa H
2017-07-01
To review the adhesive bonding to different computer-aided design/computer-aided manufacturing (CAD/CAM) esthetic restorative materials. The use of CAD/CAM esthetic restorative materials has gained popularity in recent years. Several CAD/ CAM esthetic restorative materials are commercially available. Adhesive bonding is a major determinant of success of CAD/ CAM restorations. Review result: An account of the currently available bonding strategies are discussed with their rationale in various CAD/ CAM materials. Different surface treatment methods as well as adhesion promoters can be used to achieve reliable bonding of CAD/CAM restorative materials. Selection of bonding strategy to such material is determined based on its composition. Further evidence is required to evaluate the effect of new surface treatment methods, such as nonthermal atmospheric plasma and self-etching ceramic primer on bonding to different dental ceramics. An understanding of the currently available bonding strategies to CA/CAM materials can help the clinician to select the most indicated system for each category of materials.
Jibaja-Weiss, Maria L; Volk, Robert J
2007-01-01
Decision aids have been developed by using various delivery methods, including interactive computer programs. Such programs, however, still rely heavily on written information, health and digital literacy, and reading ease. We describe an approach to overcome these potential barriers for low-literate, underserved populations by making design considerations for poor readers and naïve computer users and by using concepts from entertainment education to engage the user and to contextualize the content for the user. The system design goals are to make the program both didactic and entertaining and the navigation and graphical user interface as simple as possible. One entertainment education strategy, the soap opera, is linked seamlessly to interactive learning modules to enhance the content of the soap opera episodes. The edutainment decision aid model (EDAM) guides developers through the design process. Although designing patient decision aids that are educational, entertaining, and targeted toward poor readers and those with limited computer skills is a complex task, it is a promising strategy for aiding this population. Entertainment education may be a highly effective approach to promoting informed decision making for patients with low health literacy.
ERIC Educational Resources Information Center
MORPHONIOS, ALEX G.
THIRTY-SIX INSTRUCTORS, SUPERVISORS, AND DEPARTMENT CHAIRMEN IN AREAS OF DRAFTING, ENGINEERING, MANUFACTURING, AND COMPUTER TECHNOLOGY AT JUNIOR COLLEGES, TECHNICAL, AND AREA VOCATIONAL SCHOOLS IN 20 STATES ATTENDED A 3-WEEK SUMMER INSTITUTE TRAINING PROGRAM ON COMPUTER-AIDED DRAFTING AND DESIGN. EXPERIENCE IN PROGRAMING THE IBM SYSTEM 1620 WITH…
ERIC Educational Resources Information Center
García, Isaías; Benavides, Carmen; Alaiz, Héctor; Alonso, Angel
2013-01-01
This paper describes research on the use of knowledge models (ontologies) for building computer-aided educational software in the field of control engineering. Ontologies are able to represent in the computer a very rich conceptual model of a given domain. This model can be used later for a number of purposes in different software applications. In…
Bohnert, Tonika; Patel, Aarti; Templeton, Ian; Chen, Yuan; Lu, Chuang; Lai, George; Leung, Louis; Tse, Susanna; Einolf, Heidi J; Wang, Ying-Hong; Sinz, Michael; Stearns, Ralph; Walsky, Robert; Geng, Wanping; Sudsakorn, Sirimas; Moore, David; He, Ling; Wahlstrom, Jan; Keirns, Jim; Narayanan, Rangaraj; Lang, Dieter; Yang, Xiaoqing
2016-08-01
Under the guidance of the International Consortium for Innovation and Quality in Pharmaceutical Development (IQ), scientists from 20 pharmaceutical companies formed a Victim Drug-Drug Interactions Working Group. This working group has conducted a review of the literature and the practices of each company on the approaches to clearance pathway identification (fCL), estimation of fractional contribution of metabolizing enzyme toward metabolism (fm), along with modeling and simulation-aided strategy in predicting the victim drug-drug interaction (DDI) liability due to modulation of drug metabolizing enzymes. Presented in this perspective are the recommendations from this working group on: 1) strategic and experimental approaches to identify fCL and fm, 2) whether those assessments may be quantitative for certain enzymes (e.g., cytochrome P450, P450, and limited uridine diphosphoglucuronosyltransferase, UGT enzymes) or qualitative (for most of other drug metabolism enzymes), and the impact due to the lack of quantitative information on the latter. Multiple decision trees are presented with stepwise approaches to identify specific enzymes that are involved in the metabolism of a given drug and to aid the prediction and risk assessment of drug as a victim in DDI. Modeling and simulation approaches are also discussed to better predict DDI risk in humans. Variability and parameter sensitivity analysis were emphasized when applying modeling and simulation to capture the differences within the population used and to characterize the parameters that have the most influence on the prediction outcome. Copyright © 2016 by The American Society for Pharmacology and Experimental Therapeutics.
Modeling and Analysis of Power Processing Systems (MAPPS). Volume 1: Technical report
NASA Technical Reports Server (NTRS)
Lee, F. C.; Rahman, S.; Carter, R. A.; Wu, C. H.; Yu, Y.; Chang, R.
1980-01-01
Computer aided design and analysis techniques were applied to power processing equipment. Topics covered include: (1) discrete time domain analysis of switching regulators for performance analysis; (2) design optimization of power converters using augmented Lagrangian penalty function technique; (3) investigation of current-injected multiloop controlled switching regulators; and (4) application of optimization for Navy VSTOL energy power system. The generation of the mathematical models and the development and application of computer aided design techniques to solve the different mathematical models are discussed. Recommendations are made for future work that would enhance the application of the computer aided design techniques for power processing systems.
Creation of Anatomically Accurate Computer-Aided Design (CAD) Solid Models from Medical Images
NASA Technical Reports Server (NTRS)
Stewart, John E.; Graham, R. Scott; Samareh, Jamshid A.; Oberlander, Eric J.; Broaddus, William C.
1999-01-01
Most surgical instrumentation and implants used in the world today are designed with sophisticated Computer-Aided Design (CAD)/Computer-Aided Manufacturing (CAM) software. This software automates the mechanical development of a product from its conceptual design through manufacturing. CAD software also provides a means of manipulating solid models prior to Finite Element Modeling (FEM). Few surgical products are designed in conjunction with accurate CAD models of human anatomy because of the difficulty with which these models are created. We have developed a novel technique that creates anatomically accurate, patient specific CAD solids from medical images in a matter of minutes.
Increased Diels-Alderase activity through backbone remodeling guided by Foldit players.
Eiben, Christopher B; Siegel, Justin B; Bale, Jacob B; Cooper, Seth; Khatib, Firas; Shen, Betty W; Players, Foldit; Stoddard, Barry L; Popovic, Zoran; Baker, David
2012-01-22
Computational enzyme design holds promise for the production of renewable fuels, drugs and chemicals. De novo enzyme design has generated catalysts for several reactions, but with lower catalytic efficiencies than naturally occurring enzymes. Here we report the use of game-driven crowdsourcing to enhance the activity of a computationally designed enzyme through the functional remodeling of its structure. Players of the online game Foldit were challenged to remodel the backbone of a computationally designed bimolecular Diels-Alderase to enable additional interactions with substrates. Several iterations of design and characterization generated a 24-residue helix-turn-helix motif, including a 13-residue insertion, that increased enzyme activity >18-fold. X-ray crystallography showed that the large insertion adopts a helix-turn-helix structure positioned as in the Foldit model. These results demonstrate that human creativity can extend beyond the macroscopic challenges encountered in everyday life to molecular-scale design problems.
Computer-aided light sheet flow visualization using photogrammetry
NASA Technical Reports Server (NTRS)
Stacy, Kathryn; Severance, Kurt; Childers, Brooks A.
1994-01-01
A computer-aided flow visualization process has been developed to analyze video images acquired from rotating and translating light sheet visualization systems. The computer process integrates a mathematical model for image reconstruction, advanced computer graphics concepts, and digital image processing to provide a quantitative and a visual analysis capability. The image reconstruction model, based on photogrammetry, uses knowledge of the camera and light sheet locations and orientations to project two-dimensional light sheet video images into three-dimensional space. A sophisticated computer visualization package, commonly used to analyze computational fluid dynamics (CFD) results, was chosen to interactively display the reconstructed light sheet images with the numerical surface geometry for the model or aircraft under study. The photogrammetric reconstruction technique and the image processing and computer graphics techniques and equipment are described. Results of the computer-aided process applied to both a wind tunnel translating light sheet experiment and an in-flight rotating light sheet experiment are presented. The capability to compare reconstructed experimental light sheet images with CFD solutions in the same graphics environment is also demonstrated.
Computer-Aided Light Sheet Flow Visualization
NASA Technical Reports Server (NTRS)
Stacy, Kathryn; Severance, Kurt; Childers, Brooks A.
1993-01-01
A computer-aided flow visualization process has been developed to analyze video images acquired from rotating and translating light sheet visualization systems. The computer process integrates a mathematical model for image reconstruction, advanced computer graphics concepts, and digital image processing to provide a quantitative and visual analysis capability. The image reconstruction model, based on photogrammetry, uses knowledge of the camera and light sheet locations and orientations to project two-dimensional light sheet video images into three-dimensional space. A sophisticated computer visualization package, commonly used to analyze computational fluid dynamics (CFD) data sets, was chosen to interactively display the reconstructed light sheet images, along with the numerical surface geometry for the model or aircraft under study. A description is provided of the photogrammetric reconstruction technique, and the image processing and computer graphics techniques and equipment. Results of the computer aided process applied to both a wind tunnel translating light sheet experiment and an in-flight rotating light sheet experiment are presented. The capability to compare reconstructed experimental light sheet images and CFD solutions in the same graphics environment is also demonstrated.
Computer-aided light sheet flow visualization
NASA Technical Reports Server (NTRS)
Stacy, Kathryn; Severance, Kurt; Childers, Brooks A.
1993-01-01
A computer-aided flow visualization process has been developed to analyze video images acquired from rotating and translating light sheet visualization systems. The computer process integrates a mathematical model for image reconstruction, advanced computer graphics concepts, and digital image processing to provide a quantitative and visual analysis capability. The image reconstruction model, based on photogrammetry, uses knowledge of the camera and light sheet locations and orientations to project two-dimensional light sheet video images into three-dimensional space. A sophisticated computer visualization package, commonly used to analyze computational fluid dynamics (CFD) data sets, was chosen to interactively display the reconstructed light sheet images, along with the numerical surface geometry for the model or aircraft under study. A description is provided of the photogrammetric reconstruction technique, and the image processing and computer graphics techniques and equipment. Results of the computer aided process applied to both a wind tunnel translating light sheet experiment and an in-flight rotating light sheet experiment are presented. The capability to compare reconstructed experimental light sheet images and CFD solutions in the same graphics environment is also demonstrated.
Connecting the virtual world of computers to the real world of medicinal chemistry.
Glen, Robert C
2011-03-01
Drug discovery involves the simultaneous optimization of chemical and biological properties, usually in a single small molecule, which modulates one of nature's most complex systems: the balance between human health and disease. The increased use of computer-aided methods is having a significant impact on all aspects of the drug-discovery and development process and with improved methods and ever faster computers, computer-aided molecular design will be ever more central to the discovery process.
CAD/CAM complete dentures: a review of two commercial fabrication systems.
Kattadiyil, Mathew T; Goodacre, Charles J; Baba, Nadim Z
2013-06-01
The use of computer-aided design and computer-aided manufacturing (CAD/CAM) has become available for complete dentures through the AvaDent and Dentca systems. AvaDent uses laser scanning and computer technology. Teeth are arranged and bases formed using proprietary software.The bases are milled from prepolymerized pucks of resin. Dentca uses computer software to produce virtual maxillary and mandibular edentulous ridges, arrange the teeth and form bases. The dentures are fabricated using a conventional processing technique.
NASA Technical Reports Server (NTRS)
Thorp, Scott A.
1992-01-01
This presentation will discuss the development of a NASA Geometry Exchange Specification for transferring aerodynamic surface geometry between LeRC systems and grid generation software used for computational fluid dynamics research. The proposed specification is based on a subset of the Initial Graphics Exchange Specification (IGES). The presentation will include discussion of how the NASA-IGES standard will accommodate improved computer aided design inspection methods and reverse engineering techniques currently being developed. The presentation is in viewgraph format.
Protein Engineering Towards Natural Product Synthesis and Diversification
Zabala, Angelica O.; Cacho, Ralph A.; Tang, Yi
2014-01-01
A dazzling array of enzymes is used by nature in making structurally complex natural products. These enzymes constitute a molecular toolbox that may be used in the construction and fine-tuning of pharmaceutically active molecules. Aided by technological advancements in protein engineering, it is now possible to tailor the activities and specificities of these enzymes as biocatalysts in the production of both natural products and their unnatural derivatives. These efforts are crucial in drug discovery and development, where there is a continuous quest for more potent agents. Both rational and random evolution techniques have been utilized in engineering these enzymes. This review will highlight some examples from several large families of natural products. PMID:22006344
Computer-Aided Communication Satellite System Analysis and Optimization.
ERIC Educational Resources Information Center
Stagl, Thomas W.; And Others
Various published computer programs for fixed/broadcast communication satellite system synthesis and optimization are discussed. The rationale for selecting General Dynamics/Convair's Satellite Telecommunication Analysis and Modeling Program (STAMP) in modified form to aid in the system costing and sensitivity analysis work in the Program on…
Challenges facing developers of CAD/CAM models that seek to predict human working postures
NASA Astrophysics Data System (ADS)
Wiker, Steven F.
2005-11-01
This paper outlines the need for development of human posture prediction models for Computer Aided Design (CAD) and Computer Aided Manufacturing (CAM) design applications in product, facility and work design. Challenges facing developers of posture prediction algorithms are presented and discussed.
A Prototype of CAD/CAM Education in the Community College.
ERIC Educational Resources Information Center
Kimmey, James R.
Drawing upon Elgin Community College's (ECC's) 7-year history of program development and operation, this paper demonstrates how ECC, in cooperation with Northern Illinois Industries, Computervision Corporation, Mazak Corporation, and the Society of Manufacturing Engineers, established a Computer-Aided Design and Drafting/Computer-Aided Machining…
A Structure for Creating Quality Software.
ERIC Educational Resources Information Center
Christensen, Larry C.; Bodey, Michael R.
1990-01-01
Addresses the issue of assuring quality software for use in computer-aided instruction and presents a structure by which developers can create quality courseware. Differences between courseware and computer-aided instruction software are discussed, methods for testing software are described, and human factors issues as well as instructional design…
SMART USE OF COMPUTER-AIDED SPERM ANALYSIS (CASA) TO CHARACTERIZE SPERM MOTION
Computer-aided sperm analysis (CASA) has evolved over the past fifteen years to provide an objective, practical means of measuring and characterizing the velocity and parttern of sperm motion. CASA instruments use video frame-grabber boards to capture multiple images of spermato...
Calendar Instruments in Retrospective Web Surveys
ERIC Educational Resources Information Center
Glasner, Tina; van der Vaart, Wander; Dijkstra, Wil
2015-01-01
Calendar instruments incorporate aided recall techniques such as temporal landmarks and visual time lines that aim to reduce response error in retrospective surveys. Those calendar instruments have been used extensively in off-line research (e.g., computer-aided telephone interviews, computer assisted personal interviewing, and paper and pen…
DEVELOPMENT AND USE OF COMPUTER-AIDED PROCESS ENGINEERING TOOLS FOR POLLUTION PREVENTION
The use of Computer-Aided Process Engineering (CAPE) and process simulation tools has become established industry practice to predict simulation software, new opportunities are available for the creation of a wide range of ancillary tools that can be used from within multiple sim...
The NASA computer aided design and test system
NASA Technical Reports Server (NTRS)
Gould, J. M.; Juergensen, K.
1973-01-01
A family of computer programs facilitating the design, layout, evaluation, and testing of digital electronic circuitry is described. CADAT (computer aided design and test system) is intended for use by NASA and its contractors and is aimed predominantly at providing cost effective microelectronic subsystems based on custom designed metal oxide semiconductor (MOS) large scale integrated circuits (LSIC's). CADAT software can be easily adopted by installations with a wide variety of computer hardware configurations. Its structure permits ease of update to more powerful component programs and to newly emerging LSIC technologies. The components of the CADAT system are described stressing the interaction of programs rather than detail of coding or algorithms. The CADAT system provides computer aids to derive and document the design intent, includes powerful automatic layout software, permits detailed geometry checks and performance simulation based on mask data, and furnishes test pattern sequences for hardware testing.
Xue, Song; Schlosburg, Joel E; Janda, Kim D
2015-08-19
Smoking is the leading cause of preventable diseases; thus, effective smoking cessation aids are crucial for reducing the prevalence of cigarette smoking and smoking-related illnesses. In our current campaign we offer a nicotine-degrading enzyme from Pseudomonas putida, NicA2, a flavin-containing protein. To explore its potential, a kinetic evaluation of the enzyme was conducted, which included determination of K(m), k(cat), buffer/serum half-life, and thermostability. Additionally, the catabolism profile of NicA2 was elucidated to assess the potential toxicity of the nicotine-derived products. In characterizing the enzyme, a favorable biochemical profile of the enzyme was discovered, making NicA2 a prospective therapeutic candidate. This approach provides a new avenue for the field of nicotine addiction therapy.
Research on computer aided testing of pilot response to critical in-flight events
NASA Technical Reports Server (NTRS)
Giffin, W. C.; Rockwell, T. H.; Smith, P. J.
1984-01-01
Experiments on pilot decision making are described. The development of models of pilot decision making in critical in flight events (CIFE) are emphasized. The following tests are reported on the development of: (1) a frame system representation describing how pilots use their knowledge in a fault diagnosis task; (2) assessment of script norms, distance measures, and Markov models developed from computer aided testing (CAT) data; and (3) performance ranking of subject data. It is demonstrated that interactive computer aided testing either by touch CRT's or personal computers is a useful research and training device for measuring pilot information management in diagnosing system failures in simulated flight situations. Performance is dictated by knowledge of aircraft sybsystems, initial pilot structuring of the failure symptoms and efficient testing of plausible causal hypotheses.
Development and Verification of Body Armor Target Geometry Created Using Computed Tomography Scans
2017-07-13
designated by other authorized documents. Citation of manufacturer’s or trade names does not constitute an official endorsement or approval of...modeling consisted of manual measurement of armor systems and translating those measurements to computer-aided design geometry, which can be tedious and...computer-aided design (CAD) human geometry model (referred to throughout as ORCA man) that is used in the Operational Requirement-based Casualty Assessment
Making Ceramic/Polymer Parts By Extrusion Stereolithography
NASA Technical Reports Server (NTRS)
Stuffle, Kevin; Mulligan, A.; Creegan, P.; Boulton, J. M.; Lombardi, J. L.; Calvert, P. D.
1996-01-01
Extrusion stereolithography developmental method of computer-controlled manufacturing of objects out of ceramic/polymer composite materials. Computer-aided design/computer-aided manufacturing (CAD/CAM) software used to create image of desired part and translate image into motion commands for combination of mechanisms moving resin dispenser. Extrusion performed in coordination with motion of dispenser so buildup of extruded material takes on size and shape of desired part. Part thermally cured after deposition.
Manufacturing Methods and Technology Project Summary Reports
1985-06-01
Computer -Aided Design (CAD)/ Computer -Aided Manufacturing (CAM) Process for the Production of Cold Forged Gears Project 483 6121 - Robotic Welding and...Caliber Projectile Bodies Project 682 8370 - Automatic Inspection and 1-I1 Process Control of Weapons Parts Manufacturing METALS Project 181 7285 - Cast...designed for use on each project. Experience suggested that a general purpose computer interface might be designed that could be used on any project
NASA Technical Reports Server (NTRS)
Huffman, S.
1977-01-01
Detailed instructions on the use of two computer-aided-design programs for designing the energy storage inductor for single winding and two winding dc to dc converters are provided. Step by step procedures are given to illustrate the formatting of user input data. The procedures are illustrated by eight sample design problems which include the user input and the computer program output.
Ewers, R; Schicho, K; Undt, G; Wanschitz, F; Truppe, M; Seemann, R; Wagner, A
2005-01-01
Computer-aided surgical navigation technology is commonly used in craniomaxillofacial surgery. It offers substantial improvement regarding esthetic and functional aspects in a range of surgical procedures. Based on augmented reality principles, where the real operative site is merged with computer generated graphic information, computer-aided navigation systems were employed, among other procedures, in dental implantology, arthroscopy of the temporomandibular joint, osteotomies, distraction osteogenesis, image guided biopsies and removals of foreign bodies. The decision to perform a procedure with or without computer-aided intraoperative navigation depends on the expected benefit to the procedure as well as on the technical expenditure necessary to achieve that goal. This paper comprises the experience gained in 12 years of research, development and routine clinical application. One hundred and fifty-eight operations with successful application of surgical navigation technology--divided into five groups--are evaluated regarding the criteria "medical benefit" and "technical expenditure" necessary to perform these procedures. Our results indicate that the medical benefit is likely to outweight the expenditure of technology with few exceptions (calvaria transplant, resection of the temporal bone, reconstruction of the orbital floor). Especially in dental implantology, specialized software reduces time and additional costs necessary to plan and perform procedures with computer-aided surgical navigation.
Kazakis, Georgios; Kanellopoulos, Ioannis; Sotiropoulos, Stefanos; Lagaros, Nikos D
2017-10-01
Construction industry has a major impact on the environment that we spend most of our life. Therefore, it is important that the outcome of architectural intuition performs well and complies with the design requirements. Architects usually describe as "optimal design" their choice among a rather limited set of design alternatives, dictated by their experience and intuition. However, modern design of structures requires accounting for a great number of criteria derived from multiple disciplines, often of conflicting nature. Such criteria derived from structural engineering, eco-design, bioclimatic and acoustic performance. The resulting vast number of alternatives enhances the need for computer-aided architecture in order to increase the possibility of arriving at a more preferable solution. Therefore, the incorporation of smart, automatic tools in the design process, able to further guide designer's intuition becomes even more indispensable. The principal aim of this study is to present possibilities to integrate automatic computational techniques related to topology optimization in the phase of intuition of civil structures as part of computer aided architectural design. In this direction, different aspects of a new computer aided architectural era related to the interpretation of the optimized designs, difficulties resulted from the increased computational effort and 3D printing capabilities are covered here in.
Smith, R P; Dias, J J; Ullah, A; Bhowal, B
2009-05-01
Corrective surgery for Dupuytren's disease represents a significant proportion of a hand surgeon's workload. The decision to go ahead with surgery and the success of surgery requires measuring the degree of contracture of the diseased finger(s). This is performed in clinic with a goniometer, pre- and postoperatively. Monitoring the recurrence of the contracture can inform on surgical outcome, research and audit. We compared visual and computer software-aided estimation of Dupuytren's contractures to clinical goniometric measurements in 60 patients with Dupuytren's disease. Patients' hands were digitally photographed. There were 76 contracted finger joints--70 proximal interphalangeal joints and six distal interphalangeal joints. The degrees of contracture of these images were visually assessed by six orthopaedic staff of differing seniority and re-assessed with computer software. Across assessors, the Pearson correlation between the goniometric measurements and the visual estimations was 0.83 and this significantly improved to 0.88 with computer software. Reliability with intra-class correlations achieved 0.78 and 0.92 for the visual and computer-aided estimations, respectively, and with test-retest analysis, 0.92 for visual estimation and 0.95 for computer-aided measurements. Visual estimations of Dupuytren's contractures correlate well with actual clinical goniometric measurements and improve further if measured with computer software. Digital images permit monitoring of contracture after surgery and may facilitate research into disease progression and auditing of surgical technique.
Evaluation and Assessment of a Biomechanics Computer-Aided Instruction.
ERIC Educational Resources Information Center
Washington, N.; Parnianpour, M.; Fraser, J. M.
1999-01-01
Describes the Biomechanics Tutorial, a computer-aided instructional tool that was developed at Ohio State University to expedite the transition from lecture to application for undergraduate students. Reports evaluation results that used statistical analyses and student questionnaires to show improved performance on posttests as well as positive…
ERIC Educational Resources Information Center
Hoover, Ryan E.
1979-01-01
Summarizes the development of the Computer-Aided Reference Services (CARS) division of the University of Utah Libraries' reference department. Development, organizational structure, site selection, equipment, management, staffing and training considerations, promotion and marketing, budget and pricing, record keeping, statistics, and evaluation…
The Use of Computers to Aid Instruction in Beginning Chemistry
ERIC Educational Resources Information Center
Grandey, Robert C.
1971-01-01
Describes computer-aided lessons for determining chemical formulas from composition by weight, quantities from chemical equations, and balancing equations for oxidation-reduction reactions. Lessons were developed and used on the PLATO system at the University of Illinois. A brief analysis of student attitudes and of effectiveness of the programs…
Does Computer-Aided Formative Assessment Improve Learning Outcomes?
ERIC Educational Resources Information Center
Hannah, John; James, Alex; Williams, Phillipa
2014-01-01
Two first-year engineering mathematics courses used computer-aided assessment (CAA) to provide students with opportunities for formative assessment via a series of weekly quizzes. Most students used the assessment until they achieved very high (>90%) quiz scores. Although there is a positive correlation between these quiz marks and the final…
Computer Aided Drafting. Instructor's Guide.
ERIC Educational Resources Information Center
Henry, Michael A.
This guide is intended for use in introducing students to the operation and applications of computer-aided drafting (CAD) systems. The following topics are covered in the individual lessons: understanding CAD (CAD versus traditional manual drafting and care of software and hardware); using the components of a CAD system (primary and other input…
Electronic Computer Aided Design. Its Application in FE.
ERIC Educational Resources Information Center
Further Education Unit, London (England).
A study was conducted at the Electronics Industrial Unit at the Dorset Institute of Higher Education to investigate the feasibility of incorporating computer-aided design (CAD) in electrical and electronic courses. The aim was to investigate the application of CAD to electrical and electronic systems; the extent to which industrial developments…
ERIC Educational Resources Information Center
Hunt, Graham
This report discusses the impact of and presents guidelines for developing a computer-aided instructional (CAI) system. The first section discusses CAI in terms of the need for the countries of Asia to increase their economic self-sufficiency. The second section examines various theories on the nature of learning with special attention to the role…
A Model for Intelligent Computer-Aided Education Systems.
ERIC Educational Resources Information Center
Du Plessis, Johan P.; And Others
1995-01-01
Proposes a model for intelligent computer-aided education systems that is based on cooperative learning, constructive problem-solving, object-oriented programming, interactive user interfaces, and expert system techniques. Future research is discussed, and a prototype for teaching mathematics to 10- to 12-year-old students is appended. (LRW)
Computer Aided Training of Cognitive Processing Strategies with Developmentally Handicapped Adults.
ERIC Educational Resources Information Center
Ryba, Kenneth A.; And Others
1985-01-01
Correlational results involving 60 developmentally handicaped adults indicated that a computerized cross-modal memory game had a highly significant relationship with most cognitive and motor coordination measures. Computer aided training was not effective in improving overall cognitive functioning. There was no evidence of cognitive skills being…
Computer-Simulated Psychotherapy as an Aid in Teaching Clinical Psychology.
ERIC Educational Resources Information Center
Suler, John R.
1987-01-01
Describes how Elisa, a widely known computer program which simulates the responses of a psychotherapist, can be used as a teaching aid in undergraduate clinical psychology classes. Provides information on conducting the exercise, integrating it into the course syllabus, and evaluating its impact on students. (JDH)
Schools (Students) Exchanging CAD/CAM Files over the Internet.
ERIC Educational Resources Information Center
Mahoney, Gary S.; Smallwood, James E.
This document discusses how students and schools can benefit from exchanging computer-aided design/computer-aided manufacturing (CAD/CAM) files over the Internet, explains how files are exchanged, and examines the problem of selected hardware/software incompatibility. Key terms associated with information search services are defined, and several…
A Computer-Aided Exercise for Checking Novices' Understanding of Market Equilibrium Changes.
ERIC Educational Resources Information Center
Katz, Arnold
1999-01-01
Describes a computer-aided supplement to the introductory microeconomics course that enhances students' understanding with simulation-based tools for reviewing what they have learned from lectures and conventional textbooks about comparing market equilibria. Includes a discussion of students' learning progressions and retention after using the…
Computer Aided Evaluation of Higher Education Tutors' Performance
ERIC Educational Resources Information Center
Xenos, Michalis; Papadopoulos, Thanos
2007-01-01
This article presents a method for computer-aided tutor evaluation: Bayesian Networks are used for organizing the collected data about tutors and for enabling accurate estimations and predictions about future tutor behavior. The model provides indications about each tutor's strengths and weaknesses, which enables the evaluator to exploit strengths…
Software Engineering Techniques for Computer-Aided Learning.
ERIC Educational Resources Information Center
Ibrahim, Bertrand
1989-01-01
Describes the process for developing tutorials for computer-aided learning (CAL) using a programing language rather than an authoring system. The workstation used is described, the use of graphics is discussed, the role of a local area network (LAN) is explained, and future plans are discussed. (five references) (LRW)
National Survey of Computer Aided Manufacturing in Industrial Technology Programs.
ERIC Educational Resources Information Center
Heidari, Farzin
The current status of computer-aided manufacturing in the 4-year industrial technology programs in the United States was studied. All industrial technology department chairs were mailed a questionnaire divided into program information, equipment information, and general comments sections. The questionnaire was designed to determine the subjects…
Computer-Aided Corrosion Program Management
NASA Technical Reports Server (NTRS)
MacDowell, Louis
2010-01-01
This viewgraph presentation reviews Computer-Aided Corrosion Program Management at John F. Kennedy Space Center. The contents include: 1) Corrosion at the Kennedy Space Center (KSC); 2) Requirements and Objectives; 3) Program Description, Background and History; 4) Approach and Implementation; 5) Challenges; 6) Lessons Learned; 7) Successes and Benefits; and 8) Summary and Conclusions.
Computer-Aided Tomography (CT) has been demonstrated to be a cost efficient tool for the qualitative and quantitative study of estuarine benthic communities along pollution gradients.
Now we have advanced this technology to successfully visualize and discriminate three dimen...
CAD/CAM (Computer-Aided Design/Computer-Aided Manufacturing) Highlights.
1984-10-01
ATTN: AMCRE-C/Ms. Jean Lamb C dr, ATTN: ANCRM-P/Mr. Jerry Gibson Cdr, ATTN: AMCQA-E/Mr. Billings Cdr, ATTN: AMXAM-TL/Technical Library US Army...Sands Missile Range, ATTN: STEWS -TE-TL/Technical Library Cdr, US Military Academy, ATTN: LTC Lanse Leach - - . Cdr, Yuma Proving Grounds, ATTN
Braided Composites for Aerospace Applications. (Latest citations from the Aerospace Database)
NASA Technical Reports Server (NTRS)
1996-01-01
The bibliography contains citations concerning the design, fabrication, and testing of structural composites formed by braiding machines. Topics include computer aided design and associated computer aided manufacture of braided tubular and flat forms. Applications include aircraft and spacecraft structures, where high shear strength and stiffness are required.
Zaprazna, Kristina
2012-01-01
Activation-induced deaminase (AID) is an enzyme required for class switch recombination (CSR) and somatic hypermutation (SHM), processes that ensure antibody maturation and expression of different immunoglobulin isotypes. AID function is tightly regulated by tissue- and stage-specific expression, nuclear localization, and protein stability. Transcription factor YY1 is crucial for early B cell development, but its function at late B cell stages is unknown. Here, we show that YY1 conditional knockout in activated splenic B cells interferes with CSR. Knockout of YY1 did not affect B cell proliferation, transcription of the AID and IgM genes, or levels of various switch region germ line transcripts. However, we show that YY1 physically interacts with AID and controls the accumulation of nuclear AID, at least in part, by increasing nuclear AID stability. We show for the first time that YY1 plays a novel role in CSR and controls nuclear AID protein levels. PMID:22290437
Mechanisms of Bone Mineralization and Effects of Mechanical Loading
NASA Technical Reports Server (NTRS)
Babich, Michael
1996-01-01
The data suggest that PTH and PKC inhibit nodule formation, and that alternative energy sources are utilized by osteoblasts in the process of mineralization. The conditions and techniques to grow, fix, photograph, and measure bone mineralization in vitro were defined. The results are presently in preliminary form and require further assessment as follows; quantitate the surface area of nodules + treatments via computer-aided image analysis; use PTH + inhibitors of signaling pathways to determine the mechanism of nodule formation; determine how protein kinase C is involved as a promotor of nodule formation; cell proliferation vs. cell death affected by modulation of signal transduction (i.e., PTH, enzyme inhibitors and activators); identify mRNA induced or decreased in response to PTH and signaling modulators that encode proteins that regulate cell morphology, proliferation, and nodule formation. Therefore, several follow-up studies between the laboratories at NASA-Ames Research Center and my laboratory at the University of Illinois have been initiated.
Liu, Jiamin; Kabadi, Suraj; Van Uitert, Robert; Petrick, Nicholas; Deriche, Rachid; Summers, Ronald M.
2011-01-01
Purpose: Surface curvatures are important geometric features for the computer-aided analysis and detection of polyps in CT colonography (CTC). However, the general kernel approach for curvature computation can yield erroneous results for small polyps and for polyps that lie on haustral folds. Those erroneous curvatures will reduce the performance of polyp detection. This paper presents an analysis of interpolation’s effect on curvature estimation for thin structures and its application on computer-aided detection of small polyps in CTC. Methods: The authors demonstrated that a simple technique, image interpolation, can improve the accuracy of curvature estimation for thin structures and thus significantly improve the sensitivity of small polyp detection in CTC. Results: Our experiments showed that the merits of interpolating included more accurate curvature values for simulated data, and isolation of polyps near folds for clinical data. After testing on a large clinical data set, it was observed that sensitivities with linear, quadratic B-spline and cubic B-spline interpolations significantly improved the sensitivity for small polyp detection. Conclusions: The image interpolation can improve the accuracy of curvature estimation for thin structures and thus improve the computer-aided detection of small polyps in CTC. PMID:21859029
Computational Enzyme Design: Advances, hurdles and possible ways forward
Linder, Mats
2012-01-01
This mini review addresses recent developments in computational enzyme design. Successful protocols as well as known issues and limitations are discussed from an energetic perspective. It will be argued that improved results can be obtained by including a dynamic treatment in the design protocol. Finally, a molecular dynamics-based approach for evaluating and refining computational designs is presented. PMID:24688650
System integration of pattern recognition, adaptive aided, upper limb prostheses
NASA Technical Reports Server (NTRS)
Lyman, J.; Freedy, A.; Solomonow, M.
1975-01-01
The requirements for successful integration of a computer aided control system for multi degree of freedom artificial arms are discussed. Specifications are established for a system which shares control between a human amputee and an automatic control subsystem. The approach integrates the following subsystems: (1) myoelectric pattern recognition, (2) adaptive computer aiding; (3) local reflex control; (4) prosthetic sensory feedback; and (5) externally energized arm with the functions of prehension, wrist rotation, elbow extension and flexion and humeral rotation.
HIV Structural Database using Chem BLAST for all classes of AIDS inhibitors
National Institute of Standards and Technology Data Gateway
SRD 155 HIV Structural Database using Chem BLAST for all classes of AIDS inhibitors (Web, free access) The HIV structural database (HIVSDB) is a comprehensive collection of the structures of HIV protease, both of unliganded enzyme and of its inhibitor complexes. It contains abstracts and crystallographic data such as inhibitor and protein coordinates for 248 data sets, of which only 141 are from the Protein Data Bank (PDB).
Computer Aided Design of Computer Generated Holograms for electron beam fabrication
NASA Technical Reports Server (NTRS)
Urquhart, Kristopher S.; Lee, Sing H.; Guest, Clark C.; Feldman, Michael R.; Farhoosh, Hamid
1989-01-01
Computer Aided Design (CAD) systems that have been developed for electrical and mechanical design tasks are also effective tools for the process of designing Computer Generated Holograms (CGHs), particularly when these holograms are to be fabricated using electron beam lithography. CAD workstations provide efficient and convenient means of computing, storing, displaying, and preparing for fabrication many of the features that are common to CGH designs. Experience gained in the process of designing CGHs with various types of encoding methods is presented. Suggestions are made so that future workstations may further accommodate the CGH design process.
Patient-specific polyetheretherketone facial implants in a computer-aided planning workflow.
Guevara-Rojas, Godoberto; Figl, Michael; Schicho, Kurt; Seemann, Rudolf; Traxler, Hannes; Vacariu, Apostolos; Carbon, Claus-Christian; Ewers, Rolf; Watzinger, Franz
2014-09-01
In the present study, we report an innovative workflow using polyetheretherketone (PEEK) patient-specific implants for esthetic corrections in the facial region through onlay grafting. The planning includes implant design according to virtual osteotomy and generation of a subtraction volume. The implant design was refined by stepwise changing the implant geometry according to soft tissue simulations. One patient was scanned using computed tomography. PEEK implants were interactively designed and manufactured using rapid prototyping techniques. Positioning intraoperatively was assisted by computer-aided navigation. Two months after surgery, a 3-dimensional surface model of the patient's face was generated using photogrammetry. Finally, the Hausdorff distance calculation was used to quantify the overall error, encompassing the failures in soft tissue simulation and implantation. The implant positioning process during surgery was satisfactory. The simulated soft tissue surface and the photogrammetry scan of the patient showed a high correspondence, especially where the skin covered the implants. The mean total error (Hausdorff distance) was 0.81 ± 1.00 mm (median 0.48, interquartile range 1.11). The spatial deviation remained less than 0.7 mm for the vast majority of points. The proposed workflow provides a complete computer-aided design, computer-aided manufacturing, and computer-aided surgery chain for implant design, allowing for soft tissue simulation, fabrication of patient-specific implants, and image-guided surgery to position the implants. Much of the surgical complexity resulting from osteotomies of the zygoma, chin, or mandibular angle might be transferred into the planning phase of patient-specific implants. Copyright © 2014 American Association of Oral and Maxillofacial Surgeons. Published by Elsevier Inc. All rights reserved.
ERIC Educational Resources Information Center
Rouse, William B.; Johnson, William B.
A methodological framework is presented for representing tradeoffs among alternative combinations of training and aiding for personnel in complex situations. In general, more highly trained people need less aid, and those with less training need more aid. Balancing training and aiding to accomplish the objectives of the system in a cost effective…
Mak, Wai Shun; Tran, Stephen; Marcheschi, Ryan; Bertolani, Steve; Thompson, James; Baker, David; Liao, James C; Siegel, Justin B
2015-11-24
The ability to biosynthetically produce chemicals beyond what is commonly found in Nature requires the discovery of novel enzyme function. Here we utilize two approaches to discover enzymes that enable specific production of longer-chain (C5-C8) alcohols from sugar. The first approach combines bioinformatics and molecular modelling to mine sequence databases, resulting in a diverse panel of enzymes capable of catalysing the targeted reaction. The median catalytic efficiency of the computationally selected enzymes is 75-fold greater than a panel of naively selected homologues. This integrative genomic mining approach establishes a unique avenue for enzyme function discovery in the rapidly expanding sequence databases. The second approach uses computational enzyme design to reprogramme specificity. Both approaches result in enzymes with >100-fold increase in specificity for the targeted reaction. When enzymes from either approach are integrated in vivo, longer-chain alcohol production increases over 10-fold and represents >95% of the total alcohol products.
Computer-aided drug design for AMP-activated protein kinase activators.
Wang, Zhanli; Huo, Jianxin; Sun, Lidan; Wang, Yongfu; Jin, Hongwei; Yu, Hui; Zhang, Liangren; Zhou, Lishe
2011-09-01
AMP-activated protein kinase (AMPK) is an important therapeutic target for the potential treatment of metabolic disorders, cardiovascular disease and cancer. Recently, various classes of compounds that activate AMPK by direct or indirect interactions have been reported. The importance of computer-aided drug design approaches in the search for potent activators of AMPK is now established, including structure-based design, ligand-based design, fragment-based design, as well as structural analysis. This review article highlights the computer-aided drug design approaches utilized to discover of activators targeting AMPK. The principles, advantages or limitation of the different methods are also being discussed together with examples of applications taken from the literatures.
Computer-aided dental prostheses construction using reverse engineering.
Solaberrieta, E; Minguez, R; Barrenetxea, L; Sierra, E; Etxaniz, O
2014-01-01
The implementation of computer-aided design/computer-aided manufacturing (CAD/CAM) systems with virtual articulators, which take into account the kinematics, constitutes a breakthrough in the construction of customised dental prostheses. This paper presents a multidisciplinary protocol involving CAM techniques to produce dental prostheses. This protocol includes a step-by-step procedure using innovative reverse engineering technologies to transform completely virtual design processes into customised prostheses. A special emphasis is placed on a novel method that permits a virtual location of the models. The complete workflow includes the optical scanning of the patient, the use of reverse engineering software and, if necessary, the use of rapid prototyping to produce CAD temporary prostheses.
The Protein Cost of Metabolic Fluxes: Prediction from Enzymatic Rate Laws and Cost Minimization.
Noor, Elad; Flamholz, Avi; Bar-Even, Arren; Davidi, Dan; Milo, Ron; Liebermeister, Wolfram
2016-11-01
Bacterial growth depends crucially on metabolic fluxes, which are limited by the cell's capacity to maintain metabolic enzymes. The necessary enzyme amount per unit flux is a major determinant of metabolic strategies both in evolution and bioengineering. It depends on enzyme parameters (such as kcat and KM constants), but also on metabolite concentrations. Moreover, similar amounts of different enzymes might incur different costs for the cell, depending on enzyme-specific properties such as protein size and half-life. Here, we developed enzyme cost minimization (ECM), a scalable method for computing enzyme amounts that support a given metabolic flux at a minimal protein cost. The complex interplay of enzyme and metabolite concentrations, e.g. through thermodynamic driving forces and enzyme saturation, would make it hard to solve this optimization problem directly. By treating enzyme cost as a function of metabolite levels, we formulated ECM as a numerically tractable, convex optimization problem. Its tiered approach allows for building models at different levels of detail, depending on the amount of available data. Validating our method with measured metabolite and protein levels in E. coli central metabolism, we found typical prediction fold errors of 4.1 and 2.6, respectively, for the two kinds of data. This result from the cost-optimized metabolic state is significantly better than randomly sampled metabolite profiles, supporting the hypothesis that enzyme cost is important for the fitness of E. coli. ECM can be used to predict enzyme levels and protein cost in natural and engineered pathways, and could be a valuable computational tool to assist metabolic engineering projects. Furthermore, it establishes a direct connection between protein cost and thermodynamics, and provides a physically plausible and computationally tractable way to include enzyme kinetics into constraint-based metabolic models, where kinetics have usually been ignored or oversimplified.
Computer-Aided Process and Tools for Mobile Software Acquisition
2013-07-30
moldo^j= pmlkploba=obmloq=pbofbp= Computer-Aided Process and Tools for Mobile Software Acquisition 30 July 2013 LT Christopher Bonine , USN, Dr...Christopher Bonine is a lieutenant in the United States Navy. He is currently assigned to the Navy Cyber Defense Operations Command in Norfolk, VA. He has...interests are in development and implementation of cyber security policy. Bonine has a master’s in computer science from the Naval Postgraduate School
NASA Technical Reports Server (NTRS)
Hyde, Patricia R.; Loftin, R. Bowen
1993-01-01
The volume 2 proceedings from the 1993 Conference on Intelligent Computer-Aided Training and Virtual Environment Technology are presented. Topics discussed include intelligent computer assisted training (ICAT) systems architectures, ICAT educational and medical applications, virtual environment (VE) training and assessment, human factors engineering and VE, ICAT theory and natural language processing, ICAT military applications, VE engineering applications, ICAT knowledge acquisition processes and applications, and ICAT aerospace applications.
Chakraborty, Sandeep; Minda, Renu; Salaye, Lipika; Bhattacharjee, Swapan K.; Rao, Basuthkar J.
2011-01-01
Computational methods are increasingly gaining importance as an aid in identifying active sites. Mostly these methods tend to have structural information that supplement sequence conservation based analyses. Development of tools that compute electrostatic potentials has further improved our ability to better characterize the active site residues in proteins. We have described a computational methodology for detecting active sites based on structural and electrostatic conformity - C ata L ytic A ctive S ite P rediction (CLASP). In our pipelined model, physical 3D signature of any particular enzymatic function as defined by its active sites is used to obtain spatially congruent matches. While previous work has revealed that catalytic residues have large pKa deviations from standard values, we show that for a given enzymatic activity, electrostatic potential difference (PD) between analogous residue pairs in an active site taken from different proteins of the same family are similar. False positives in spatially congruent matches are further pruned by PD analysis where cognate pairs with large deviations are rejected. We first present the results of active site prediction by CLASP for two enzymatic activities - β-lactamases and serine proteases, two of the most extensively investigated enzymes. The results of CLASP analysis on motifs extracted from Catalytic Site Atlas (CSA) are also presented in order to demonstrate its ability to accurately classify any protein, putative or otherwise, with known structure. The source code and database is made available at www.sanchak.com/clasp/. Subsequently, we probed alkaline phosphatases (AP), one of the well known promiscuous enzymes, for additional activities. Such a search has led us to predict a hitherto unknown function of shrimp alkaline phosphatase (SAP), where the protein acts as a protease. Finally, we present experimental evidence of the prediction by CLASP by showing that SAP indeed has protease activity in vitro. PMID:22174814
NASA Astrophysics Data System (ADS)
Folkers, Gerd; Trumpp-Kallmeyer, Susanne; Gutbrod, Oliver; Krickl, Sabine; Fetzer, Jürgen; Keil, Günther M.
1991-10-01
Thymidine kinase (TK), which is induced by Herpes Simplex Virus 1 (HSV1), plays a key role in the antiviral activity of guanine derivatives such as aciclovir (ACV). In contrast, ACV shows only low affinity to the corresponding host cell enzyme. In order to define the differences in substrate binding of the two enzymes on molecular level, models for the three-dimensional (3-D) structures of the active sites of HSV1-TK and human TK were developed. The reconstruction of the active sites started from primary and secondary structure analysis of various kinases. The results were validated to homologous enzymes with known 3-D structures. The models predict that both enzymes consist of a central core β-sheet structure, connected by loops and α-helices very similar to the overall structure of other nucleotide binding enzymes. The phosphate binding is made up of a highly conserved glycine-rich loop at the N-terminus of the proteins and a conserved region at the C-terminus. The thymidine recognition site was found about 100 amino acids downstream from the phosphate binding loop. The differing substrate specificity of human and HSV1-TK can be explained by amino-acid substitutions in the homologous regions. To achieve a better understanding of the structure of the active site and how the thymidine kinase proteins interact with their substrates, the corresponding complexes of thymidine and dihydroxypropoxyguanine (DHPG) with HSV1 and human TK were built. For the docking of the guanine derivative, the X-ray structure of Elongation Factor Tu (EF-Tu), co-crystallized with guanosine diphosphate, was taken as reference. Fitting of thymidine into the active sites was done with respect to similar interactions found in thymidylate kinase. To complement the analysis of the 3-D structures of the two kinases and the substrate enzyme interactions, site-directed mutagenesis of the thymidine recognition site of HSV1-TK has been undertaken, changing Asp162 in the thymidine recognition site into Asn. First investigations reveal that the enzymatic activity of the mutant protein is destroyed.
ERIC Educational Resources Information Center
Lourey, Eugene D., Comp.
The Minnesota Computer Aided Library System (MCALS) provides a basis of unification for library service program development in Minnesota for eventual linkage to the national information network. A prototype plan for communications functions is illustrated. A cost/benefits analysis was made to show the cost/effectiveness potential for MCALS. System…
Intelligent Computer-Aided Instruction Research at the Open University. CITE Report No. 10.
ERIC Educational Resources Information Center
Elsom-Cook, Mark
This document introduces the aims and activities of the Intelligent Computer Aided Instruction (ICAI) research community situated within the Centre for Information Technology in Education (CITE) at the Open University in Great Britain, outlines the nature of the problems which come under the auspices of ICAI, and describes the research…
2005-10-01
nearly setting-independent features and artificial neural networks. Radiology 2003; 226:504-514. 14. Horsch K, Giger ML, Venta LA, Vyborny CJ...Giger ML, Vyborny CJ, Venta LA. Performance of computer-aided diagnosis in the interpretation of lesions on breast sonography. Acad. Radiol. 2004; 11:272
Learning and Optimization of Cognitive Capabilities. Final Project Report.
ERIC Educational Resources Information Center
Lumsdaine, A.A.; And Others
The work of a three-year series of experimental studies of human cognition is summarized in this report. Proglem solving and learning in man-machine interaction was investigated, as well as relevant variables and processes. The work included four separate projects: (1) computer-aided problem solving, (2) computer-aided instruction techniques, (3)…
Preparing Students for Computer Aided Drafting (CAD). A Conceptual Approach.
ERIC Educational Resources Information Center
Putnam, A. R.; Duelm, Brian
This presentation outlines guidelines for developing and implementing an introductory course in computer-aided drafting (CAD) that is geared toward secondary-level students. The first section of the paper, which deals with content identification and selection, includes lists of mechanical drawing and CAD competencies and a list of rationales for…
Teaching Neuroanatomy Using Computer-Aided Learning: What Makes for Successful Outcomes?
ERIC Educational Resources Information Center
Svirko, Elena; Mellanby, Jane
2017-01-01
Computer-aided learning (CAL) is an integral part of many medical courses. The neuroscience course at Oxford University for medical students includes CAL course of neuroanatomy. CAL is particularly suited to this since neuroanatomy requires much detailed three-dimensional visualization, which can be presented on screen. The CAL course was…
An Empathic Avatar in a Computer-Aided Learning Program to Encourage and Persuade Learners
ERIC Educational Resources Information Center
Chen, Gwo-Dong; Lee, Jih-Hsien; Wang, Chin-Yeh; Chao, Po-Yao; Li, Liang-Yi; Lee, Tzung-Yi
2012-01-01
Animated pedagogical agents with characteristics such as facial expressions, gestures, and human emotions, under an interactive user interface are attractive to students and have high potential to promote students' learning. This study proposes a convenient method to add an embodied empathic avatar into a computer-aided learning program; learners…
MOVANAID: An Interactive Aid for Analysis of Movement Capabilities.
ERIC Educational Resources Information Center
Cooper, George E.; And Others
A computer-drive interactive aid for movement analysis, called MOVANAID, has been developed to be of assistance in the performance of certain Army intelligence processing tasks in a tactical environment. It can compute fastest travel times and paths through road networks for military units of various types, as well as fastest times in which…
ERIC Educational Resources Information Center
Henry, Mark
1979-01-01
Recounts statistical inaccuracies in an article on computer-aided instruction in economics courses on the college level. The article, published in the J. Econ. Ed (Fall 1978), erroneously placed one student in the TIPS group instead of the control group. Implications of this alteration are discussed. (DB)
Remote Science Operation Center research
NASA Technical Reports Server (NTRS)
Banks, P. M.
1986-01-01
Progress in the following areas is discussed: the design, planning and operation of a remote science payload operations control center; design and planning of a data link via satellite; and the design and prototyping of an advanced workstation environment for multi-media (3-D computer aided design/computer aided engineering, voice, video, text) communications and operations.
Effective Computer-Aided Assessment of Mathematics; Principles, Practice and Results
ERIC Educational Resources Information Center
Greenhow, Martin
2015-01-01
This article outlines some key issues for writing effective computer-aided assessment (CAA) questions in subjects with substantial mathematical or statistical content, especially the importance of control of random parameters and the encoding of wrong methods of solution (mal-rules) commonly used by students. The pros and cons of using CAA and…
Computer Aided Learning of Mathematics: Software Evaluation
ERIC Educational Resources Information Center
Yushau, B.; Bokhari, M. A.; Wessels, D. C. J.
2004-01-01
Computer Aided Learning of Mathematics (CALM) has been in use for some time in the Prep-Year Mathematics Program at King Fahd University of Petroleum & Minerals. Different kinds of software (both locally designed and imported) have been used in the quest of optimizing the recitation/problem session hour of the mathematics classes. This paper…
Incorporating Computer-Aided Software in the Undergraduate Chemical Engineering Core Courses
ERIC Educational Resources Information Center
Alnaizy, Raafat; Abdel-Jabbar, Nabil; Ibrahim, Taleb H.; Husseini, Ghaleb A.
2014-01-01
Introductions of computer-aided software and simulators are implemented during the sophomore-year of the chemical engineering (ChE) curriculum at the American University of Sharjah (AUS). Our faculty concurs that software integration within the curriculum is beneficial to our students, as evidenced by the positive feedback received from industry…
The Effectiveness of a Tablet Computer-Aided Intervention Program for Improving Reading Fluency
ERIC Educational Resources Information Center
Özbek, Ahmet Bilal; Girli, Alev
2017-01-01
The purpose of this study is to determine the effectiveness of a tablet computer-aided intervention program for improving reading fluency. It also investigates the opinions of students and parents about this intervention by using skill- and performance-based techniques, which have been investigated qualitatively. Three students with a learning…
National Occupational Skill Standards. CADD: Computer Aided Drafting and Design.
ERIC Educational Resources Information Center
National Coalition for Advanced Manufacturing, Washington, DC.
This document identifies computer-aided drafting and design (CADD) skills that companies require of training programs and future employees. The information was developed by two committees of technically knowledgeable CADD users from across the United States and validated by several hundred other CADD users. The skills are aimed at a beginner CADD…
NASA Astrophysics Data System (ADS)
Labisch, Susanna
Konstruktion und Fertigung erfolgen in der Praxis fast ausschließlich rechnerunterstützt. Mit diesem Rechnereinsatz beim Konstruieren (CAD, Computer Aided Design) und Fertigen CAM (Computer Aided Manufacturing) scheint die technische Zeichnung an Bedeutung zu verlieren, da die Verständigung zwischen Konstruktions- und Fertigungsabteilung primär durch den Austausch digitaler Daten erfolgen kann.
Gathering Empirical Evidence Concerning Links between Computer Aided Design (CAD) and Creativity
ERIC Educational Resources Information Center
Musta'amal, Aede Hatib; Norman, Eddie; Hodgson, Tony
2009-01-01
Discussion is often reported concerning potential links between computer-aided designing and creativity, but there is a lack of systematic enquiry to gather empirical evidence concerning such links. This paper reports an indication of findings from other research studies carried out in contexts beyond general education that have sought evidence…
Computer-Aided Drafting. Education for Technology Employment.
ERIC Educational Resources Information Center
Northern Illinois Univ., De Kalb. Dept. of Technology.
This computer-aided drafting (CAD) curriculum was developed to provide drafting instructors in Illinois with a useful guide for relating an important new technological advance to the vocational classroom. The competency-based learning activity guides are written to be used with any CAD system being used at the secondary and postsecondary levels.…
Computer-Aided Design in Further Education.
ERIC Educational Resources Information Center
Ingham, Peter, Ed.
This publication updates the 1982 occasional paper that was intended to foster staff awareness and assist colleges in Great Britain considering the use of computer-aided design (CAD) material in engineering courses. The paper begins by defining CAD and its place in the Integrated Business System with a brief discussion of the effect of CAD on the…
Computer-aided Tomography (CT) imaging was utilized to quantify wet mass of coarse roots, rhizomes, and peat in cores collected from organic-rich (Jamaica Bay, NY) and mineral (North Inlet, SC) Spartina alterniflora soils. Calibration rods composed of materials with standard dens...
We used computer-aided tomography (CT) for 3D visualization and 2D analysis of
marine sediment cores from 3 stations (at 10, 75 and 118 m depths) with different environmental
impact. Biogenic structures such as tubes and burrows were quantified and compared among st...
The potential of computer-aided process engineering (CAPE) tools to enable process engineers to improve the environmental performance of both their processes and across the life cycle (from cradle-to-grave) has long been proffered. However, this use of CAPE has not been fully ach...
Software Application for Computer Aided Vocabulary Learning in a Blended Learning Environment
ERIC Educational Resources Information Center
Essam, Rasha
2010-01-01
This study focuses on the effect of computer-aided vocabulary learning software called "ArabCAVL" on students' vocabulary acquisition. It was hypothesized that students who use the ArabCAVL software in blended learning environment will surpass students who use traditional vocabulary learning strategies in face-to-face learning…
Performance Measures in Courses Using Computer-Aided Personalized System of Instruction
ERIC Educational Resources Information Center
Springer, C. R.; Pear, J. J.
2008-01-01
Archived data from four courses taught with computer-aided personalized system of instruction (CAPSI)--an online, self-paced, instructional program--were used to explore the relationship between objectively rescored final exam grades, peer reviewing, and progress rate--i.e., the rate at which students completed unit tests. There was a strong…
Evaluation of computer-aided detection and diagnosis systems.
Petrick, Nicholas; Sahiner, Berkman; Armato, Samuel G; Bert, Alberto; Correale, Loredana; Delsanto, Silvia; Freedman, Matthew T; Fryd, David; Gur, David; Hadjiiski, Lubomir; Huo, Zhimin; Jiang, Yulei; Morra, Lia; Paquerault, Sophie; Raykar, Vikas; Samuelson, Frank; Summers, Ronald M; Tourassi, Georgia; Yoshida, Hiroyuki; Zheng, Bin; Zhou, Chuan; Chan, Heang-Ping
2013-08-01
Computer-aided detection and diagnosis (CAD) systems are increasingly being used as an aid by clinicians for detection and interpretation of diseases. Computer-aided detection systems mark regions of an image that may reveal specific abnormalities and are used to alert clinicians to these regions during image interpretation. Computer-aided diagnosis systems provide an assessment of a disease using image-based information alone or in combination with other relevant diagnostic data and are used by clinicians as a decision support in developing their diagnoses. While CAD systems are commercially available, standardized approaches for evaluating and reporting their performance have not yet been fully formalized in the literature or in a standardization effort. This deficiency has led to difficulty in the comparison of CAD devices and in understanding how the reported performance might translate into clinical practice. To address these important issues, the American Association of Physicists in Medicine (AAPM) formed the Computer Aided Detection in Diagnostic Imaging Subcommittee (CADSC), in part, to develop recommendations on approaches for assessing CAD system performance. The purpose of this paper is to convey the opinions of the AAPM CADSC members and to stimulate the development of consensus approaches and "best practices" for evaluating CAD systems. Both the assessment of a standalone CAD system and the evaluation of the impact of CAD on end-users are discussed. It is hoped that awareness of these important evaluation elements and the CADSC recommendations will lead to further development of structured guidelines for CAD performance assessment. Proper assessment of CAD system performance is expected to increase the understanding of a CAD system's effectiveness and limitations, which is expected to stimulate further research and development efforts on CAD technologies, reduce problems due to improper use, and eventually improve the utility and efficacy of CAD in clinical practice.
Evaluation of computer-aided detection and diagnosis systemsa)
Petrick, Nicholas; Sahiner, Berkman; Armato, Samuel G.; Bert, Alberto; Correale, Loredana; Delsanto, Silvia; Freedman, Matthew T.; Fryd, David; Gur, David; Hadjiiski, Lubomir; Huo, Zhimin; Jiang, Yulei; Morra, Lia; Paquerault, Sophie; Raykar, Vikas; Samuelson, Frank; Summers, Ronald M.; Tourassi, Georgia; Yoshida, Hiroyuki; Zheng, Bin; Zhou, Chuan; Chan, Heang-Ping
2013-01-01
Computer-aided detection and diagnosis (CAD) systems are increasingly being used as an aid by clinicians for detection and interpretation of diseases. Computer-aided detection systems mark regions of an image that may reveal specific abnormalities and are used to alert clinicians to these regions during image interpretation. Computer-aided diagnosis systems provide an assessment of a disease using image-based information alone or in combination with other relevant diagnostic data and are used by clinicians as a decision support in developing their diagnoses. While CAD systems are commercially available, standardized approaches for evaluating and reporting their performance have not yet been fully formalized in the literature or in a standardization effort. This deficiency has led to difficulty in the comparison of CAD devices and in understanding how the reported performance might translate into clinical practice. To address these important issues, the American Association of Physicists in Medicine (AAPM) formed the Computer Aided Detection in Diagnostic Imaging Subcommittee (CADSC), in part, to develop recommendations on approaches for assessing CAD system performance. The purpose of this paper is to convey the opinions of the AAPM CADSC members and to stimulate the development of consensus approaches and “best practices” for evaluating CAD systems. Both the assessment of a standalone CAD system and the evaluation of the impact of CAD on end-users are discussed. It is hoped that awareness of these important evaluation elements and the CADSC recommendations will lead to further development of structured guidelines for CAD performance assessment. Proper assessment of CAD system performance is expected to increase the understanding of a CAD system's effectiveness and limitations, which is expected to stimulate further research and development efforts on CAD technologies, reduce problems due to improper use, and eventually improve the utility and efficacy of CAD in clinical practice. PMID:23927365
Vascular tissue engineering by computer-aided laser micromachining.
Doraiswamy, Anand; Narayan, Roger J
2010-04-28
Many conventional technologies for fabricating tissue engineering scaffolds are not suitable for fabricating scaffolds with patient-specific attributes. For example, many conventional technologies for fabricating tissue engineering scaffolds do not provide control over overall scaffold geometry or over cell position within the scaffold. In this study, the use of computer-aided laser micromachining to create scaffolds for vascular tissue networks was investigated. Computer-aided laser micromachining was used to construct patterned surfaces in agarose or in silicon, which were used for differential adherence and growth of cells into vascular tissue networks. Concentric three-ring structures were fabricated on agarose hydrogel substrates, in which the inner ring contained human aortic endothelial cells, the middle ring contained HA587 human elastin and the outer ring contained human aortic vascular smooth muscle cells. Basement membrane matrix containing vascular endothelial growth factor and heparin was to promote proliferation of human aortic endothelial cells within the vascular tissue networks. Computer-aided laser micromachining provides a unique approach to fabricate small-diameter blood vessels for bypass surgery as well as other artificial tissues with complex geometries.
Pliasunova, S A; Balugian, R Sh; Khmel'nitskiĭ, K E; Medovyĭ, V S; Parpara, A A; Piatnitskiĭ, A M; Sokolinskiĭ, B Z; Dem'ianov, V L; Nikolaenko, D S
2006-10-01
The paper presents the results of medical tests of a group of computer-aided procedures for microscopic analysis by means of a MECOS-Ts2 complex (ZAO "MECOS", Russia), which have been conducted at the Republican Children's Clinical Hospital, the Research Institute of Emergency Pediatric Surgery and Traumatology, and Moscow City Clinical Hospital No. 23. Computer-aided procedures for calculating the differential count and for analyzing the morphology of red blood cells were tested on blood smears from a total of 443 patients and donors, computer-aided calculation of the count of reticulocytes was tested on 318 smears. The tests were carried out under the US standard NCCLS-H20A. Manual microscopy (443 smears) and flow blood analysis on a Coulter GEN*S (125 smears) were used as reference methods. The quality of collection of samples and laboriousness were additionally assessed. The certified MECOS-Ts2 subsystems were additionally used as reference tools. The tests indicated the advantage of computer-aided MECOS-Tsl2 complex microscopy over manual microscopy.
[Three-dimensional computer aided design for individualized post-and-core restoration].
Gu, Xiao-yu; Wang, Ya-ping; Wang, Yong; Lü, Pei-jun
2009-10-01
To develop a method of three-dimensional computer aided design (CAD) of post-and-core restoration. Two plaster casts with extracted natural teeth were used in this study. The extracted teeth were prepared and scanned using tomography method to obtain three-dimensional digitalized models. According to the basic rules of post-and-core design, posts, cores and cavity surfaces of the teeth were designed using the tools for processing point clouds, curves and surfaces on the forward engineering software of Tanglong prosthodontic system. Then three-dimensional figures of the final restorations were corrected according to the configurations of anterior teeth, premolars and molars respectively. Computer aided design of 14 post-and-core restorations were finished, and good fitness between the restoration and the three-dimensional digital models were obtained. Appropriate retention forms and enough spaces for the full crown restorations can be obtained through this method. The CAD of three-dimensional figures of the post-and-core restorations can fulfill clinical requirements. Therefore they can be used in computer-aided manufacture (CAM) of post-and-core restorations.
SAMO (Sistema de Apoyo Mechanizado a la Operacion): An operational aids computer system
DOE Office of Scientific and Technical Information (OSTI.GOV)
Stormer, T.D.; Laflor, E.V.
1989-01-01
SAMO (Sistema de Apoyo Mechanizado a la Operacion) is a sensor-driven, computer-based, graphic display system designed by Westinghouse to aid the A. N. Asco operations staff during all modes of plant operations, including emergencies. The SAMO system is being implemented in the A. N. Asco plant in two phases that coincide with consecutive refueling outages for each of two nuclear units at the Asco site. Phase 1 of the SAMO system implements the following functions: (1) emergency operational aids, (2) postaccident monitoring, (3) plant graphics display, (4) high-speed transient analysis recording, (5) historical data collection, storage, and retrieval, (6) sequencemore » of events, and (7) posttrip review. During phase 2 of the SAMO project, the current plant computer will be removed and the functions now performed by the plant computer will be performed by the SAMO system. In addition, the following functions will be implemented: (1) normal and simple transients operational aid, (2) plant information graphics; and (3) real-time radiological off-site dose calculation.« less
Klauser, A S; Franz, M; Bellmann Weiler, R; Gruber, J; Hartig, F; Mur, E; Wick, M C; Jaschke, W
2011-12-01
To compare joint inflammation assessment using subjective grading of power Doppler ultrasonography (PDUS) and contrast-enhanced ultrasonography (CEUS) versus computer-aided objective CEUS quantification. 37 joints of 28 patients with arthritis of different etiologies underwent B-mode ultrasonography, PDUS, and CEUS using a second-generation contrast agent. Synovial thickness, extent of vascularized pannus and intensity of vascularization were included in a 4-point PDUS and CEUS grading system. Subjective CEUS and PDUS scores were compared to computer-aided objective CEUS quantification using Qontrast® software for the calculation of the signal intensity (SI) and the ratio of SI for contrast enhancement. The interobserver agreement for subjective scoring was good to excellent (κ = 0.8 - 1.0; P < 0.0001). Computer-aided objective CEUS quantification correlated statistically significantly with subjective CEUS (P < 0.001) and PDUS grading (P < 0.05). The Qontrast® SI ratio correlated with subjective CEUS (P < 0.02) and PDUS grading (P < 0.03). Clinical activity did not correlate with vascularity or synovial thickening (P = N. S.) and no correlation between synovial thickening and vascularity extent could be found, neither using PDUS nor CEUS (P = N. S.). Both subjective CEUS grading and objective CEUS quantification are valuable for assessing joint vascularity in arthritis and computer-aided CEUS quantification may be a suitable objective tool for therapy follow-up in arthritis. © Georg Thieme Verlag KG Stuttgart · New York.
Computational Protein Engineering: Bridging the Gap between Rational Design and Laboratory Evolution
Barrozo, Alexandre; Borstnar, Rok; Marloie, Gaël; Kamerlin, Shina Caroline Lynn
2012-01-01
Enzymes are tremendously proficient catalysts, which can be used as extracellular catalysts for a whole host of processes, from chemical synthesis to the generation of novel biofuels. For them to be more amenable to the needs of biotechnology, however, it is often necessary to be able to manipulate their physico-chemical properties in an efficient and streamlined manner, and, ideally, to be able to train them to catalyze completely new reactions. Recent years have seen an explosion of interest in different approaches to achieve this, both in the laboratory, and in silico. There remains, however, a gap between current approaches to computational enzyme design, which have primarily focused on the early stages of the design process, and laboratory evolution, which is an extremely powerful tool for enzyme redesign, but will always be limited by the vastness of sequence space combined with the low frequency for desirable mutations. This review discusses different approaches towards computational enzyme design and demonstrates how combining newly developed screening approaches that can rapidly predict potential mutation “hotspots” with approaches that can quantitatively and reliably dissect the catalytic step can bridge the gap that currently exists between computational enzyme design and laboratory evolution studies. PMID:23202907
29 CFR 541.401 - Computer manufacture and repair.
Code of Federal Regulations, 2014 CFR
2014-07-01
..., the use of computers and computer software programs (e.g., engineers, drafters and others skilled in computer-aided design software), but who are not primarily engaged in computer systems analysis and...
29 CFR 541.401 - Computer manufacture and repair.
Code of Federal Regulations, 2012 CFR
2012-07-01
..., the use of computers and computer software programs (e.g., engineers, drafters and others skilled in computer-aided design software), but who are not primarily engaged in computer systems analysis and...
29 CFR 541.401 - Computer manufacture and repair.
Code of Federal Regulations, 2013 CFR
2013-07-01
..., the use of computers and computer software programs (e.g., engineers, drafters and others skilled in computer-aided design software), but who are not primarily engaged in computer systems analysis and...
29 CFR 541.401 - Computer manufacture and repair.
Code of Federal Regulations, 2010 CFR
2010-07-01
..., the use of computers and computer software programs (e.g., engineers, drafters and others skilled in computer-aided design software), but who are not primarily engaged in computer systems analysis and...
Ketol-acid reductoisomerase enzymes and methods of use
Govindarajan, Sridhar; Li, Yougen; Liao, Der-Ing; O'Keefe, Daniel P.; Minshull, Jeremy Stephen; Rothman, Steven Cary; Tobias, Alexander Vincent
2015-10-27
Provided herein are polypeptides having ketol-aid reductoisomerase activity as well as microbial host cells comprising such polypeptides. Polypeptides provided herein may be used in biosynthetic pathways, including, but not limited to, isobutanol biosynthetic pathways.
qPIPSA: Relating enzymatic kinetic parameters and interaction fields
Gabdoulline, Razif R; Stein, Matthias; Wade, Rebecca C
2007-01-01
Background The simulation of metabolic networks in quantitative systems biology requires the assignment of enzymatic kinetic parameters. Experimentally determined values are often not available and therefore computational methods to estimate these parameters are needed. It is possible to use the three-dimensional structure of an enzyme to perform simulations of a reaction and derive kinetic parameters. However, this is computationally demanding and requires detailed knowledge of the enzyme mechanism. We have therefore sought to develop a general, simple and computationally efficient procedure to relate protein structural information to enzymatic kinetic parameters that allows consistency between the kinetic and structural information to be checked and estimation of kinetic constants for structurally and mechanistically similar enzymes. Results We describe qPIPSA: quantitative Protein Interaction Property Similarity Analysis. In this analysis, molecular interaction fields, for example, electrostatic potentials, are computed from the enzyme structures. Differences in molecular interaction fields between enzymes are then related to the ratios of their kinetic parameters. This procedure can be used to estimate unknown kinetic parameters when enzyme structural information is available and kinetic parameters have been measured for related enzymes or were obtained under different conditions. The detailed interaction of the enzyme with substrate or cofactors is not modeled and is assumed to be similar for all the proteins compared. The protein structure modeling protocol employed ensures that differences between models reflect genuine differences between the protein sequences, rather than random fluctuations in protein structure. Conclusion Provided that the experimental conditions and the protein structural models refer to the same protein state or conformation, correlations between interaction fields and kinetic parameters can be established for sets of related enzymes. Outliers may arise due to variation in the importance of different contributions to the kinetic parameters, such as protein stability and conformational changes. The qPIPSA approach can assist in the validation as well as estimation of kinetic parameters, and provide insights into enzyme mechanism. PMID:17919319
An overview of aldehyde oxidase: an enzyme of emerging importance in novel drug discovery.
Rashidi, Mohammad-Reza; Soltani, Somaieh
2017-03-01
Given the rising trend in medicinal chemistry strategy to reduce cytochrome P450-dependent metabolism, aldehyde oxidase (AOX) has recently gained increased attention in drug discovery programs and the number of drug candidates that are metabolized by AOX is steadily growing. Areas covered: Despite the emerging importance of AOX in drug discovery, there are certain major recognized problems associated with AOX-mediated metabolism of drugs. Intra- and inter-species variations in AOX activity, the lack of reliable and predictive animal models using the common experimental animals, and failure in the predictions of in vivo metabolic activity of AOX using traditional in vitro methods are among these issues that are covered in this article. A comprehensive review of computational human AOX (hAOX) related studies are also provided. Expert opinion: Following the recent progress in the stem cell field, the authors recommend the application of organoids technology as an effective tool to solve the fundamental problems associated with the evaluation of AOX in drug discovery. The recent success in resolving the hAOX crystal structure can too be another valuable data source for the study of AOX-catalyzed metabolism of new drug candidates, using computer-aided drug discovery methods.
Computer-aided system for diabetes care in Berlin, G.D.R.
Thoelke, H; Meusel, K; Ratzmann, K P
1990-01-01
In the Centre of Diabetes and Metabolic Disorders of Berlin, G.D.R., a computer-aided care system has been used since 1974, aiming at relieving physicians and medical staff from routine tasks and rendering possible epidemiological research on an unselected diabetes population of a defined area. The basis of the system is the data bank on diabetics (DB), where at present data from approximately 55,000 patients are stored. DB is used as a diabetes register of Berlin. On the basis of standardised criteria of diagnosis and therapy of diabetes mellitus in our dispensary care system, DB facilitates representative epidemiological analyses of the diabetic population, e.g. prevalence, incidence, duration of diabetes, and modes of treatment. The availability of general data on the population or the selection of specified groups of patients serves the management of the care system. Also, it supports the computer-aided recall of type II diabetics, treated either with diet alone or with diet and oral drugs. In this way, the standardised evaluation of treatment strategies in large populations of diabetics is possible on the basis of uniform metabolic criteria (blood glucose plus urinary glucose). The system consists of a main computer in the data processing unit and of personal computers in the diabetes centre which can be used either individually or as terminals to the main computer. During 14 years of experience, the computer-aided out-patient care of type II diabetics has proved efficient in a big-city area with a large population.
Mascarenhas, Romila; Thomas, Pei W.; Wu, Chun-Xiang; Nocek, Boguslaw P.; Hoang, Quyen Q.; Liu, Dali; Fast, Walter
2015-01-01
Quorum-quenching catalysts are of interest for potential application as biochemical tools to interrogate interbacterial communication pathways, as anti-biofouling agents, and as anti-infective agents in plants and animals. Herein, the structure and function of AidC, an N-acyl-L-homoserine (AHL) lactonase from Chryseobacterium, is characterized. Steady-state kinetics show that zinc-supplemented AidC is one of the most efficient wild-type quorum-quenching enzymes characterized to date, with a kcat/KM value of approximately 2 × 106 M−1s−1 for N-heptanoyl-L-homoserine lactone. The enzyme has stricter substrate selectivity and significantly lower KM values (ca. 50 μM for preferred substrates) than typical AHL lactonases (ca. > 1 mM). X-ray crystal structures of AidC alone, and with the product N-hexanoyl-L-homoserine were determined at resolutions of 1.09 and 1.67 Å, respectively. Each structure displays as a dimer, and dimeric oligiomerization was also observed in solution by size-exclusion chromatography coupled with multi-angle light scattering. The structures reveal two atypical features as compared to previously characterized AHL lactonases: a ‘kinked’ α-helix that forms part of a closed binding pocket which provides affinity and enforces selectivity for AHL substrates, and an active-site His substitution that is usually found in a homologous family of phosphodiesterases. Implications for the catalytic mechanism of AHL lactonases are discussed. PMID:26115006
Development of a Cross-Flow Fan Rotor for Vertical Take-Off and Landing Aircraft
2013-06-01
ANSYS CFX , along with the commercial computer-aided design software SolidWorks, was used to model and perform a parametric study on the number of rotor...the results found using ANSYS CFX . The experimental and analytical models were successfully compared at speeds ranging from 4,000 to 7,000 RPM...will make vertical take-off possible. The commercial computational fluid dynamics software ANSYS CFX , along with the commercial computer-aided design
Computer Aided Conceptual Design of Submarines
1984-06-01
Department 5f i ngi eering . May 19134 Certified by: Thesi Supervisor Accepted Y.’.I Cr’rman, (IeaV gineer ing Departmental Comimitte C - nuusý"(Xwa has...the equilibrium polygon. The Package interfaces with a pressure hull design module developed separately in an O.E. thesis by Marvin Meade. Interactive...computers or computer aided design systems. c- Accession -or4 Thesis Supervisor: Dr. David V. Burke NI R~ Title: Professor of Ocean Engineering DTIC
A Fully Distributed Approach to the Design of a KBIT/SEC VHF Packet Radio Network,
1984-02-01
topological change and consequent out-modea routing data. Algorithm development has been aided by computer simulation using a finite state machine technique...development has been aided by computer simulation using a finite state machine technique to model a realistic network of up to fifty nodes. This is...use of computer based equipments in weapons systems and their associated sensors and command and control elements and the trend from voice to data
1988-06-30
casting. 68 Figure 1-9: Line printer representation of roll solidification. 69 Figure I1-1: Test casting model. 76 Figure 11-2: Division of test casting...writing new casting analysis and design routines. The new routines would take advantage of advanced criteria for predicting casting soundness and cast...properties and technical advances in computer hardware and software. 11 2. CONCLUSIONS UPCAST, a comprehensive software package, has been developed for
ERIC Educational Resources Information Center
Chen, Alice Y.; McKee, Nancy
1999-01-01
Describes the developmental process used to visualize the calcium ATPase enzyme of the sarcoplasmic reticulum which involves evaluating scientific information, consulting scientists, model making, storyboarding, and creating and editing in a computer medium. (Author/CCM)
Computer-aided drug discovery research at a global contract research organization
NASA Astrophysics Data System (ADS)
Kitchen, Douglas B.
2017-03-01
Computer-aided drug discovery started at Albany Molecular Research, Inc in 1997. Over nearly 20 years the role of cheminformatics and computational chemistry has grown throughout the pharmaceutical industry and at AMRI. This paper will describe the infrastructure and roles of CADD throughout drug discovery and some of the lessons learned regarding the success of several methods. Various contributions provided by computational chemistry and cheminformatics in chemical library design, hit triage, hit-to-lead and lead optimization are discussed. Some frequently used computational chemistry techniques are described. The ways in which they may contribute to discovery projects are presented based on a few examples from recent publications.
Computer-aided drug discovery research at a global contract research organization.
Kitchen, Douglas B
2017-03-01
Computer-aided drug discovery started at Albany Molecular Research, Inc in 1997. Over nearly 20 years the role of cheminformatics and computational chemistry has grown throughout the pharmaceutical industry and at AMRI. This paper will describe the infrastructure and roles of CADD throughout drug discovery and some of the lessons learned regarding the success of several methods. Various contributions provided by computational chemistry and cheminformatics in chemical library design, hit triage, hit-to-lead and lead optimization are discussed. Some frequently used computational chemistry techniques are described. The ways in which they may contribute to discovery projects are presented based on a few examples from recent publications.
Engineering a hyper-catalytic enzyme by photo-activated conformation modulation
DOE Office of Scientific and Technical Information (OSTI.GOV)
Agarwal, Pratul K
2012-01-01
Enzyme engineering for improved catalysis has wide implications. We describe a novel chemical modification of Candida antarctica lipase B that allows modulation of the enzyme conformation to promote catalysis. Computational modeling was used to identify dynamical enzyme regions that impact the catalytic mechanism. Surface loop regions located distal to active site but showing dynamical coupling to the reaction were connected by a chemical bridge between Lys136 and Pro192, containing a derivative of azobenzene. The conformational modulation of the enzyme was achieved using two sources of light that alternated the azobenzene moiety in cis and trans conformations. Computational model predicted thatmore » mechanical energy from the conformational fluctuations facilitate the reaction in the active-site. The results were consistent with predictions as the activity of the engineered enzyme was found to be enhanced with photoactivation. Preliminary estimations indicate that the engineered enzyme achieved 8-52 fold better catalytic activity than the unmodulated enzyme.« less
23 CFR 771.117 - Categorical exclusions.
Code of Federal Regulations, 2010 CFR
2010-04-01
..., computer-aided dispatching systems, radio communications systems, dynamic message signs, and security... effects can be assessed; and Federal-aid system revisions which establish classes of highways on the Federal-aid highway system. (2) Approval of utility installations along or across a transportation...
The application of rapid prototyping technique in chin augmentation.
Li, Min; Lin, Xin; Xu, Yongchen
2010-04-01
This article discusses the application of computer-aided design and rapid prototyping techniques in prosthetic chin augmentation for mild microgenia. Nine cases of mild microgenia underwent an electrobeam computer tomography scan. Then we performed three-dimensional reconstruction and operative design using computer software. According to the design, we determined the shape and size of the prostheses and made an individualized prosthesis for each chin augmentation with the rapid prototyping technique. With the application of computer-aided design and a rapid prototyping technique, we could determine the shape, size, and embedding location accurately. Prefabricating the individual prosthesis model is useful in improving the accuracy of treatment. In the nine cases of mild microgenia, three received a silicone implant, four received an ePTFE implant, and two received a Medpor implant. All patients were satisfied with the results. During follow-up at 6-12 months, all patients remained satisfied. The application of computer-aided design and rapid prototyping techniques can offer surgeons the ability to design an individualized ideal prosthesis for each patient.
Computer-Assisted Digital Image Analysis of Plus Disease in Retinopathy of Prematurity.
Kemp, Pavlina S; VanderVeen, Deborah K
2016-01-01
The objective of this study is to review the current state and role of computer-assisted analysis in diagnosis of plus disease in retinopathy of prematurity. Diagnosis and documentation of retinopathy of prematurity are increasingly being supplemented by digital imaging. The incorporation of computer-aided techniques has the potential to add valuable information and standardization regarding the presence of plus disease, an important criterion in deciding the necessity of treatment of vision-threatening retinopathy of prematurity. A review of literature found that several techniques have been published examining the process and role of computer aided analysis of plus disease in retinopathy of prematurity. These techniques use semiautomated image analysis techniques to evaluate retinal vascular dilation and tortuosity, using calculated parameters to evaluate presence or absence of plus disease. These values are then compared with expert consensus. The study concludes that computer-aided image analysis has the potential to use quantitative and objective criteria to act as a supplemental tool in evaluating for plus disease in the setting of retinopathy of prematurity.
IPAD: A unique approach to government/industry cooperation for technology development and transfer
NASA Technical Reports Server (NTRS)
Fulton, Robert E.; Salley, George C.
1985-01-01
A key element to improved industry productivity is effective management of Computer Aided Design / Computer Aided Manufacturing (CAD/CAM) information. To stimulate advancement, a unique joint government/industry project designated Integrated Programs for Aerospace-Vehicle Design (IPAD) was carried out from 1971 to 1984. The goal was to raise aerospace industry productivity through advancement of computer based technology to integrate and manage information involved in the design and manufacturing process. IPAD research was guided by an Industry Technical Advisory Board (ITAB) composed of over 100 representatives from aerospace and computer companies. The project complemented traditional NASA/DOD research to develop aerospace design technology and the Air Force's Integrated Computer Aided Manufacturing (ICAM) program to advance CAM technology. IPAD had unprecedented industry support and involvement and served as a unique approach to government industry cooperation in the development and transfer of advanced technology. The IPAD project background, approach, accomplishments, industry involvement, technology transfer mechanisms and lessons learned are summarized.
Computer-Aided Diagnosis of Breast Cancer: A Multi-Center Demonstrator
1998-10-01
Artificial Neural Network (ANN) approach to computer aided diagnosis of breast cancer from mammographic findings. An ANN has been developed to provide support for the clinical decision to perform breast biopsy. The system is designed to aid in the decision to biopsy those patients who have suspicious mammographic findings. The decision to biopsy can be viewed as a two stage process: 1)the mammographer views the mammogram and determines the presence or absence of image features such as calcifications and masses, 2) the presence and description of these features
Computer-Aided Recognition of Facial Attributes for Fetal Alcohol Spectrum Disorders.
Valentine, Matthew; Bihm, Dustin C J; Wolf, Lior; Hoyme, H Eugene; May, Philip A; Buckley, David; Kalberg, Wendy; Abdul-Rahman, Omar A
2017-12-01
To compare the detection of facial attributes by computer-based facial recognition software of 2-D images against standard, manual examination in fetal alcohol spectrum disorders (FASD). Participants were gathered from the Fetal Alcohol Syndrome Epidemiology Research database. Standard frontal and oblique photographs of children were obtained during a manual, in-person dysmorphology assessment. Images were submitted for facial analysis conducted by the facial dysmorphology novel analysis technology (an automated system), which assesses ratios of measurements between various facial landmarks to determine the presence of dysmorphic features. Manual blinded dysmorphology assessments were compared with those obtained via the computer-aided system. Areas under the curve values for individual receiver-operating characteristic curves revealed the computer-aided system (0.88 ± 0.02) to be comparable to the manual method (0.86 ± 0.03) in detecting patients with FASD. Interestingly, cases of alcohol-related neurodevelopmental disorder (ARND) were identified more efficiently by the computer-aided system (0.84 ± 0.07) in comparison to the manual method (0.74 ± 0.04). A facial gestalt analysis of patients with ARND also identified more generalized facial findings compared to the cardinal facial features seen in more severe forms of FASD. We found there was an increased diagnostic accuracy for ARND via our computer-aided method. As this category has been historically difficult to diagnose, we believe our experiment demonstrates that facial dysmorphology novel analysis technology can potentially improve ARND diagnosis by introducing a standardized metric for recognizing FASD-associated facial anomalies. Earlier recognition of these patients will lead to earlier intervention with improved patient outcomes. Copyright © 2017 by the American Academy of Pediatrics.
Mazzoni, Simona; Bianchi, Alberto; Schiariti, Giulio; Badiali, Giovanni; Marchetti, Claudio
2015-04-01
The purpose of the present study was to develop a computer-aided design (CAD) and computer-aided manufacturing (CAM) technique that enabled fabrication of surgical cutting guides and titanium fixation plates that would allow the upper maxilla to be repositioned correctly without a surgical splint in orthognathic patients. Ten patients were recruited. A complete CAD-CAM workflow for orthognathic surgery has 3 steps: 1) virtual planning of the surgical treatment, 2) CAD-CAM and 3-dimensional printing of customized surgical devices (surgical cutting guide and titanium fixation plates), and 3) computer-aided surgery. Upper maxilla repositioning was performed in a waferless manner using a CAD-CAM device: the surgical cutting guide was used during surgery to pilot the osteotomy line that had been planned preoperatively at the computer and the custom-made fixation titanium plates allowed desired repositioning of the maxilla. To evaluate the reproducibility of this CAD-CAM orthognathic surgical method, the virtually planned and actually achieved positions of the upper maxilla were compared. Overlap errors using a threshold value smaller than 2 mm were evaluated, and the frequency of such errors was used as a measurement of accuracy. By this definition, the accuracy was 100% in 7 patients (range in all patients, 62 to 100%; median, 92.7%). These results tend to confirm that the use of CAD-CAM cutting guides and customized titanium plates for upper maxilla repositioning represents a promising method for the accurate reproduction of preoperative virtual planning without the use of surgical splints. Copyright © 2015 American Association of Oral and Maxillofacial Surgeons. Published by Elsevier Inc. All rights reserved.
Chavoin, Jean-Pierre; Grolleau, Jean-Louis; Moreno, Benjamin; Brunello, Jérémie; André, Aymeric; Dahan, Marcel; Garrido, Ignacio; Chaput, Benoit
2016-05-01
In the absence of demonstrable functional impairment, pectus excavatum is merely a congenital deformity, albeit with a marked psychological impact. Many patients do not wish to undergo thoracic remodeling operations, which are invasive and do not clearly result in respiratory or cardiac improvement. From 1993 to 2015, the authors designed 401 custom-made silicone implants to treat funnel chests. Before 2007, implants were made from plaster chest molds. Beginning in 2007, three-dimensional reconstructions were made from computed tomographic scans by computer-aided design. The authors prospectively recorded all assessments and follow-up data since 1993. Preoperative and postoperative photographs of two random groups of 50 patients were analyzed, in a blinded manner, by two surgeons independently. Intraoperative and postoperative complications, clinical outcomes, patient satisfaction, and quality of life were evaluated. One infection and three hematomas were recorded. Periprosthetic seroma was evident in all cases. Patients rated the cosmetic outcomes of computer-aided design implants significantly higher than those of the earlier implants made using plaster molds (p = 0.030). Malformations were better corrected in the computer-aided design group (86 percent) than in the plaster group (72 percent) (p = 0.038). Patient satisfaction was higher in the former group (p = 0.011). Medical Outcomes Study 36-Item Short-Form Health Survey scores revealed significant improvements, both socially and emotionally. Correction of pectus excavatum using a computer-aided design silicone implant fulfils aesthetic and psychological demands. The technique is simple and reliable and yields high-quality results. In the medium term, the approach may render invasive techniques obsolete. These operations remain risky and of doubtful functional utility. Therapeutic, III.
ERIC Educational Resources Information Center
Perilli, Viviana; Lancioni, Giulio E.; Singh, Nirbhay N.; O'Reilly, Mark F.; Sigafoos, Jeff; Cassano, Germana; Cordiano, Noemi; Pinto, Katia; Minervini, Mauro G.; Oliva, Doretta
2012-01-01
This study assessed whether four patients with a diagnosis of Alzheimer's disease could make independent phone calls via a computer-aided telephone system. The study was carried out according to a non-concurrent multiple baseline design across participants. All participants started with baseline during which the telephone system was not available,…
Effect of Computer-Aided Instruction on Attitude and Achievement of Fifth Grade Math Students
ERIC Educational Resources Information Center
Shoemaker, Traci L.
2013-01-01
The purpose of this quasi-experimental non-equivalent control group study was to test theories of constructivism and motivation, along with research-based teaching practices of differentiating instruction and instructing within a child's Zone of Proximal Development, in measuring the effect of computer-aided instruction on fifth grade students'…
ERIC Educational Resources Information Center
Franken, Ken; And Others
A multidisciplinary research team was assembled to review existing computer-aided drafting (CAD) systems for the purpose of enabling staff in the Design Drafting Department at Linn Technical College (Missouri) to select the best system out of the many CAD systems in existence. During the initial stage of the evaluation project, researchers…
Applications of computer-aided text analysis in natural resources.
David N. Bengston
2000-01-01
Ten contributed papers describe the use of a variety of approaches to computer-aided text analysis and their application to a wide range of research questions related to natural resources and the environment. Taken together, these papers paint a picture of a growing and vital area of research on the human dimensions of natural resource management.
ERIC Educational Resources Information Center
Von Der Linn, Robert Christopher
A needs assessment of the Grumman E-Beam Systems Group identified the requirement for additional skill mastery for the engineers who assemble, integrate, and maintain devices used to manufacture integrated circuits. Further analysis of the tasks involved led to the decision to develop interactive videodisc, computer-based job aids to enable…
Information Infrastructures for Integrated Enterprises
1993-05-01
PROCESSING demographic CAM realization; ule leveling; studies; prelimi- rapid tooling; con- accounting/admin- nary CAFE and tinuous cost istrative reports...nies might consider franchising some facets of indirect labor, such as selected functions of administration, finance, and human resources. Incorporate as...vices CAFE Corporate Average Fuel Economy CAD Computer-Aided Design 0 CAE Computer-Aided Engineering CAIS Common Ada Programming Support Environment
ERIC Educational Resources Information Center
Rosenberg, Harold; Grad, Helen A.; Matear, David W.
2003-01-01
Performed a systematic review of the published literature comparing computer-aided learning (CAL) with other teaching methods in dental education. Concluded that CAL is as effective as other methods of teaching and can be used as an adjunct to traditional education or as a means of self-instruction. (EV)
ERIC Educational Resources Information Center
Sabalic, Maja; Schoener, Jason D.
2017-01-01
Virtual reality-based technologies have been used in dentistry for almost two decades. Dental simulators, planning software and CAD/CAM (computer-aided design/computer-aided manufacturing) systems have significantly developed over the years and changed both dental education and clinical practice. This study aimed to assess the knowledge, attitudes…
Mixed-Initiative Information System for Computer-Aided Training and Decision Making. Final Report.
ERIC Educational Resources Information Center
Grignetti, Mario C.; Warnock, Eleanor H.
A description of the NET-SCHOLAR system, an on-line aid for naive users of the Advanced Research Projects Administration (ARPA) Computer Network, is provided. The discussion focuses upon the system's representation and handling of functional and procedural information and its ability to deal with action verbs, all within the context of the ARPA…
ERIC Educational Resources Information Center
1983
This report describes the design, development, implementation, and evaluation of the Computer Aided Interactive Testing System (CAITS) and addresses the applicability of the system in the Naval Education and Training Command. In addition to an introduction (section one), the report contains four sections and three appendices. Section two describes…
ERIC Educational Resources Information Center
Snyder, Nancy V.
North Seattle Community College decided to integrate computer-aided design/drafting (CAD/D) into its Electro-Mechanical Drafting Program. This choice necessitated a redefinition of the program through new curriculum and course development. To initiate the project, a new industrial advisory council was formed. Major electronic and recruiting firms…
Implementing Computer-Aided Instruction in Distance Education: An Infrastructure. RR/89-06.
ERIC Educational Resources Information Center
Kotze, Paula
The infrastructure required for the implementation of computer aided instruction is described with particular reference to the distance education environment at the University of South Africa. A review of the state of the art of online distance education in the United States and Europe is followed by an outline of the proposed infrastructure for…
ERIC Educational Resources Information Center
Hughes, John; And Others
This report provides a description of a Computer Aided Training System Development and Management (CATSDM) environment based on state-of-the-art hardware and software technology, and including recommendations for off the shelf systems to be utilized as a starting point in addressing the particular systematic training and instruction design and…
A Complete Interactive Graphical Computer-Aided Instruction System.
ERIC Educational Resources Information Center
Abrams, Steven Selby
The use of interactive graphics in computer-aided instruction systems is discussed with emphasis placed on two requirements of such a system. The first is the need to provide the teacher with a useful tool with which to design and modify teaching sessions tailored to the individual needs and capabilities of the students. The second is the…
Caesy: A software tool for computer-aided engineering
NASA Technical Reports Server (NTRS)
Wette, Matt
1993-01-01
A new software tool, Caesy, is described. This tool provides a strongly typed programming environment for research in the development of algorithms and software for computer-aided control system design. A description of the user language and its implementation as they currently stand are presented along with a description of work in progress and areas of future work.
ERIC Educational Resources Information Center
Swab, A. Geoffrey
2012-01-01
This study of cooperative learning in post-secondary engineering education investigated achievement of engineering students enrolled in two intact sections of a computer-aided drafting (CAD) course. Quasi-experimental and qualitative methods were employed in comparing student achievement resulting from out-of-class cooperative and individualistic…
ERIC Educational Resources Information Center
Genemo, Hussein; Miah, Shah Jahan; McAndrew, Alasdair
2016-01-01
Assessment has been defined as an authentic method that plays an important role in evaluating students' learning attitude in acquiring lifelong knowledge. Traditional methods of assessment including the Computer-Aided Assessment (CAA) for mathematics show limited ability to assess students' full work unless multi-step questions are sub-divided…
[Research and application of computer-aided technology in restoration of maxillary defect].
Cheng, Xiaosheng; Liao, Wenhe; Hu, Qingang; Wang, Qian; Dai, Ning
2008-08-01
This paper presents a new method of designing restoration model of maxillectomy defect through Computer aided technology. Firstly, 3D maxillectomy triangle mesh model is constructed from Helical CT data. Secondly, the triangle mesh model is transformed into initial computer-aided design (CAD) model of maxillectomy through reverse engineering software. Thirdly, the 3D virtual restoration model of maxillary defect is obtained after designing and adjusting the initial CAD model through CAD software according to the patient's practical condition. Therefore, the 3D virtual restoration can be fitted very well with the broken part of maxilla. The exported design data can be manufactured using rapid prototyping technology and foundry technology. Finally, the result proved that this method is effective and feasible.
Integrated computer-aided design using minicomputers
NASA Technical Reports Server (NTRS)
Storaasli, O. O.
1980-01-01
Computer-Aided Design/Computer-Aided Manufacturing (CAD/CAM), a highly interactive software, has been implemented on minicomputers at the NASA Langley Research Center. CAD/CAM software integrates many formerly fragmented programs and procedures into one cohesive system; it also includes finite element modeling and analysis, and has been interfaced via a computer network to a relational data base management system and offline plotting devices on mainframe computers. The CAD/CAM software system requires interactive graphics terminals operating at a minimum of 4800 bits/sec transfer rate to a computer. The system is portable and introduces 'interactive graphics', which permits the creation and modification of models interactively. The CAD/CAM system has already produced designs for a large area space platform, a national transonic facility fan blade, and a laminar flow control wind tunnel model. Besides the design/drafting element analysis capability, CAD/CAM provides options to produce an automatic program tooling code to drive a numerically controlled (N/C) machine. Reductions in time for design, engineering, drawing, finite element modeling, and N/C machining will benefit productivity through reduced costs, fewer errors, and a wider range of configuration.
Computer-aided design of antenna structures and components
NASA Technical Reports Server (NTRS)
Levy, R.
1976-01-01
This paper discusses computer-aided design procedures for antenna reflector structures and related components. The primary design aid is a computer program that establishes cross sectional sizes of the structural members by an optimality criterion. Alternative types of deflection-dependent objectives can be selected for designs subject to constraints on structure weight. The computer program has a special-purpose formulation to design structures of the type frequently used for antenna construction. These structures, in common with many in other areas of application, are represented by analytical models that employ only the three translational degrees of freedom at each node. The special-purpose construction of the program, however, permits coding and data management simplifications that provide advantages in problem size and execution speed. Size and speed are essentially governed by the requirements of structural analysis and are relatively unaffected by the added requirements of design. Computation times to execute several design/analysis cycles are comparable to the times required by general-purpose programs for a single analysis cycle. Examples in the paper illustrate effective design improvement for structures with several thousand degrees of freedom and within reasonable computing times.
Ozyurt, A Sinem; Selby, Thomas L
2008-07-01
This study describes a method to computationally assess the function of homologous enzymes through small molecule binding interaction energy. Three experimentally determined X-ray structures and four enzyme models from ornithine cyclo-deaminase, alanine dehydrogenase, and mu-crystallin were used in combination with nine small molecules to derive a function score (FS) for each enzyme-model combination. While energy values varied for a single molecule-enzyme combination due to differences in the active sites, we observe that the binding energies for the entire pathway were proportional for each set of small molecules investigated. This proportionality of energies for a reaction pathway appears to be dependent on the amino acids in the active site and their direct interactions with the small molecules, which allows a function score (FS) to be calculated to assess the specificity of each enzyme. Potential of mean force (PMF) calculations were used to obtain the energies, and the resulting FS values demonstrate that a measurement of function may be obtained using differences between these PMF values. Additionally, limitations of this method are discussed based on: (a) larger substrates with significant conformational flexibility; (b) low homology enzymes; and (c) open active sites. This method should be useful in accurately predicting specificity for single enzymes that have multiple steps in their reactions and in high throughput computational methods to accurately annotate uncharacterized proteins based on active site interaction analysis. 2008 Wiley-Liss, Inc.
Xu, Weijun; Lucke, Andrew J; Fairlie, David P
2015-04-01
Accurately predicting relative binding affinities and biological potencies for ligands that interact with proteins remains a significant challenge for computational chemists. Most evaluations of docking and scoring algorithms have focused on enhancing ligand affinity for a protein by optimizing docking poses and enrichment factors during virtual screening. However, there is still relatively limited information on the accuracy of commercially available docking and scoring software programs for correctly predicting binding affinities and biological activities of structurally related inhibitors of different enzyme classes. Presented here is a comparative evaluation of eight molecular docking programs (Autodock Vina, Fitted, FlexX, Fred, Glide, GOLD, LibDock, MolDock) using sixteen docking and scoring functions to predict the rank-order activity of different ligand series for six pharmacologically important protein and enzyme targets (Factor Xa, Cdk2 kinase, Aurora A kinase, COX-2, pla2g2a, β Estrogen receptor). Use of Fitted gave an excellent correlation (Pearson 0.86, Spearman 0.91) between predicted and experimental binding only for Cdk2 kinase inhibitors. FlexX and GOLDScore produced good correlations (Pearson>0.6) for hydrophilic targets such as Factor Xa, Cdk2 kinase and Aurora A kinase. By contrast, pla2g2a and COX-2 emerged as difficult targets for scoring functions to predict ligand activities. Although possessing a high hydrophobicity in its binding site, β Estrogen receptor produced reasonable correlations using LibDock (Pearson 0.75, Spearman 0.68). These findings can assist medicinal chemists to better match scoring functions with ligand-target systems for hit-to-lead optimization using computer-aided drug design approaches. Copyright © 2015 Elsevier Inc. All rights reserved.
Ledford, Chelsea; McMahon, Monica; Whitesell, Ashley; Khan, Ghalib; Kandagatla, Suneel K; Hurst, Dow P; Reggio, Patricia H; Raner, Gregory M
2017-02-01
To develop a model for binding and catalysis associated with the stimulation of 4-fluorophenol (4-FP) oxidation in the presence of long chain aldehydes by the enzymatic catalyst, cytochrome P450 BM3 -F87G. A variation of the Michaeli-Menten kinetic model was employed to describe interactions at the active site of the enzyme, along with computer aided modeling approaches. In addition to the hydroquinone product arising from de-fluorination of 4-FP, a second product (p-fluorocatechol) was also observed and, like the hydroquinone, its rate of formation increased in the presence of the aldehyde. When only aldehyde was present with the enzyme, BM3-F87G catalyzed its oxidation to the corresponding carboxylic acid; however, this activity was inhibited when 4-FP was added to the reaction. A 3D computer model of the active site containing both aldehyde and 4-FP was generated, guided by these kinetic observations. Finally, partitioning between the two phenolic products was examined with an emphasis on the conditions directing the initial epoxidation at either the 2,3- or 3,4-positions on the substrate. Temperature, reaction time, substrate concentration, and the structure of the aldehyde had no substantial effect on the overall product ratios, however the NADPH coupling efficiency decreased when unsaturated aldehydes were included, or when the temperature of the reaction was reduced. The unsaturated aldehyde, trans-2-decenal, stimulates BM3-F87G catalyzed oxidation of 4-fluorophenol through a cooperative active site binding mode that doesn't influence product distributions or coupling efficiencies, while 4-fluorophenol acts as a competitive inhibitor of aldehyde oxidation.
Development of Activity-based Cost Functions for Cellulase, Invertase, and Other Enzymes
NASA Astrophysics Data System (ADS)
Stowers, Chris C.; Ferguson, Elizabeth M.; Tanner, Robert D.
As enzyme chemistry plays an increasingly important role in the chemical industry, cost analysis of these enzymes becomes a necessity. In this paper, we examine the aspects that affect the cost of enzymes based upon enzyme activity. The basis for this study stems from a previously developed objective function that quantifies the tradeoffs in enzyme purification via the foam fractionation process (Cherry et al., Braz J Chem Eng 17:233-238, 2000). A generalized cost function is developed from our results that could be used to aid in both industrial and lab scale chemical processing. The generalized cost function shows several nonobvious results that could lead to significant savings. Additionally, the parameters involved in the operation and scaling up of enzyme processing could be optimized to minimize costs. We show that there are typically three regimes in the enzyme cost analysis function: the low activity prelinear region, the moderate activity linear region, and high activity power-law region. The overall form of the cost analysis function appears to robustly fit the power law form.
Implementation of Audio Computer-Assisted Interviewing Software in HIV/AIDS Research
Pluhar, Erika; Yeager, Katherine A.; Corkran, Carol; McCarty, Frances; Holstad, Marcia McDonnell; Denzmore-Nwagbara, Pamela; Fielder, Bridget; DiIorio, Colleen
2007-01-01
Computer assisted interviewing (CAI) has begun to play a more prominent role in HIV/AIDS prevention research. Despite the increased popularity of CAI, particularly audio computer assisted self-interviewing (ACASI), some research teams are still reluctant to implement ACASI technology due to lack of familiarity with the practical issues related to using these software packages. The purpose of this paper is to describe the implementation of one particular ACASI software package, the Questionnaire Development System™ (QDS™), in several nursing and HIV/AIDS prevention research settings. We present acceptability and satisfaction data from two large-scale public health studies in which we have used QDS with diverse populations. We also address issues related to developing and programming a questionnaire, discuss practical strategies related to planning for and implementing ACASI in the field, including selecting equipment, training staff, and collecting and transferring data, and summarize advantages and disadvantages of computer assisted research methods. PMID:17662924
NASA Technical Reports Server (NTRS)
Hoffer, R. M.
1974-01-01
Forestry, geology, and water resource applications were the focus of this study, which involved the use of computer-implemented pattern-recognition techniques to analyze ERTS-1 data. The results have proven the value of computer-aided analysis techniques, even in areas of mountainous terrain. Several analysis capabilities have been developed during these ERTS-1 investigations. A procedure to rotate, deskew, and geometrically scale the MSS data results in 1:24,000 scale printouts that can be directly overlayed on 7 1/2 minutes U.S.G.S. topographic maps. Several scales of computer-enhanced "false color-infrared" composites of MSS data can be obtained from a digital display unit, and emphasize the tremendous detail present in the ERTS-1 data. A grid can also be superimposed on the displayed data to aid in specifying areas of interest.
On the convergence of nanotechnology and Big Data analysis for computer-aided diagnosis.
Rodrigues, Jose F; Paulovich, Fernando V; de Oliveira, Maria Cf; de Oliveira, Osvaldo N
2016-04-01
An overview is provided of the challenges involved in building computer-aided diagnosis systems capable of precise medical diagnostics based on integration and interpretation of data from different sources and formats. The availability of massive amounts of data and computational methods associated with the Big Data paradigm has brought hope that such systems may soon be available in routine clinical practices, which is not the case today. We focus on visual and machine learning analysis of medical data acquired with varied nanotech-based techniques and on methods for Big Data infrastructure. Because diagnosis is essentially a classification task, we address the machine learning techniques with supervised and unsupervised classification, making a critical assessment of the progress already made in the medical field and the prospects for the near future. We also advocate that successful computer-aided diagnosis requires a merge of methods and concepts from nanotechnology and Big Data analysis.
Modeling And Simulation Of Bar Code Scanners Using Computer Aided Design Software
NASA Astrophysics Data System (ADS)
Hellekson, Ron; Campbell, Scott
1988-06-01
Many optical systems have demanding requirements to package the system in a small 3 dimensional space. The use of computer graphic tools can be a tremendous aid to the designer in analyzing the optical problems created by smaller and less costly systems. The Spectra Physics grocery store bar code scanner employs an especially complex 3 dimensional scan pattern to read bar code labels. By using a specially written program which interfaces with a computer aided design system, we have simulated many of the functions of this complex optical system. In this paper we will illustrate how a recent version of the scanner has been designed. We will discuss the use of computer graphics in the design process including interactive tweaking of the scan pattern, analysis of collected light, analysis of the scan pattern density, and analysis of the manufacturing tolerances used to build the scanner.
Psychological Issues in Online Adaptive Task Allocation
NASA Technical Reports Server (NTRS)
Morris, N. M.; Rouse, W. B.; Ward, S. L.; Frey, P. R.
1984-01-01
Adaptive aiding is an idea that offers potential for improvement over many current approaches to aiding in human-computer systems. The expected return of tailoring the system to fit the user could be in the form of improved system performance and/or increased user satisfaction. Issues such as the manner in which information is shared between human and computer, the appropriate division of labor between them, and the level of autonomy of the aid are explored. A simulated visual search task was developed. Subjects are required to identify targets in a moving display while performing a compensatory sub-critical tracking task. By manipulating characteristics of the situation such as imposed task-related workload and effort required to communicate with the computer, it is possible to create conditions in which interaction with the computer would be more or less desirable. The results of preliminary research using this experimental scenario are presented, and future directions for this research effort are discussed.
Soil, water, and vegetation conditions in south Texas
NASA Technical Reports Server (NTRS)
Wiegand, C. L.; Gausman, H. W.; Leamer, R. W.; Richardson, A. J.; Everitt, J. H.; Gerbermann, A. H. (Principal Investigator)
1976-01-01
The author has identified the following significant results. Software development for a computer-aided crop and soil survey system is nearing completion. Computer-aided variety classification accuracies using LANDSAT-1 MSS data for a 600 hectare citrus farm were 83% for Redblush grapefruit and 91% for oranges. These accuracies indicate that there is good potential for computer-aided inventories of grapefruit and orange citrus orchards with LANDSAT-type MSS data. Mean digital values of clouds differed statistically from those for crop, soil, and water entities, and those for cloud shadows were enough lower than sunlit crop and soil to be distinguishable. The standard errors of estimate for the calibration of computer compatible tape coordinate system (pixel and record) to earth coordinate system (longitude and latitude) for 6 LANDSAT scenes ranged from 0.72 to 1.50 pixels and from 0.58 to 1.75 records.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Hu, Yi, E-mail: yihooyi@gmail.com; Ericsson, Ida, E-mail: ida.ericsson@ntnu.no; Doseth, Berit, E-mail: berit.doseth@ntnu.no
Activation-induced cytidine deaminase (AID) is the mutator enzyme in adaptive immunity. AID initiates the antibody diversification processes in activated B cells by deaminating cytosine to uracil in immunoglobulin genes. To some extent other genes are also targeted, which may lead to genome instability and B cell malignancy. Thus, it is crucial to understand its targeting and regulation mechanisms. AID is regulated at several levels including subcellular compartmentalization. However, the complex nuclear distribution and trafficking of AID has not been studied in detail previously. In this work, we examined the subnuclear localization of AID and its interaction partner CTNNBL1 and foundmore » that they associate with spliceosome-associated structures including Cajal bodies and nuclear speckles. Moreover, protein kinase A (PKA), which activates AID by phosphorylation at Ser38, is present together with AID in nuclear speckles. Importantly, we demonstrate that AID physically associates with the major spliceosome subunits (small nuclear ribonucleoproteins, snRNPs), as well as other essential splicing components, in addition to the transcription machinery. Based on our findings and the literature, we suggest a transcription-coupled splicing-associated model for AID targeting and activation. - Highlights: • AID and its interaction partner CTNNBL1 localize to Cajal bodies and nuclear speckles. • AID associates with its activating kinase PKA in nuclear speckles. • AID is linked to the splicing machinery in switching B-cells. • Our findings suggest a transcription-coupled splicing associated mechanism for AID targeting and activation.« less
NASA Astrophysics Data System (ADS)
Gianti, Eleonora
Computer-Aided Drug Design (CADD) has deservedly gained increasing popularity in modern drug discovery (Schneider, G.; Fechner, U. 2005), whether applied to academic basic research or the pharmaceutical industry pipeline. In this work, after reviewing theoretical advancements in CADD, we integrated novel and stateof- the-art methods to assist in the design of small-molecule inhibitors of current cancer drug targets, specifically: Androgen Receptor (AR), a nuclear hormone receptor required for carcinogenesis of Prostate Cancer (PCa); Signal Transducer and Activator of Transcription 5 (STAT5), implicated in PCa progression; and Epstein-Barr Nuclear Antigen-1 (EBNA1), essential to the Epstein Barr Virus (EBV) during latent infections. Androgen Receptor. With the aim of generating binding mode hypotheses for a class (Handratta, V.D. et al. 2005) of dual AR/CYP17 inhibitors (CYP17 is a key enzyme for androgens biosynthesis and therefore implicated in PCa development), we successfully implemented a receptor-based computational strategy based on flexible receptor docking (Gianti, E.; Zauhar, R.J. 2012). Then, with the ultimate goal of identifying novel AR binders, we performed Virtual Screening (VS) by Fragment-Based Shape Signatures, an improved version of the original method developed in our Laboratory (Zauhar, R.J. et al. 2003), and we used the results to fully assess the high-level performance of this innovative tool in computational chemistry. STAT5. The SRC Homology 2 (SH2) domain of STAT5 is responsible for phospho-peptide recognition and activation. As a keystone of Structure-Based Drug Design (SBDD), we characterized key residues responsible for binding. We also generated a model of STAT5 receptor bound to a phospho-peptide ligand, which was validated by docking publicly known STAT5 inhibitors. Then, we performed Shape Signatures- and docking-based VS of the ZINC database (zinc.docking.org), followed by Molecular Mechanics Generalized Born Surface Area (MMGBSA) simulations, paired with Principal Component Analysis (PCA) of top-scoring hits to identify novel lead molecules likely to be active against STAT5. EBNA1 is the only viral protein consistently expressed in the many EBV-associated tumors, and is required for viral genome maintenance during latent infection. To immediately assist SBDD, we computationally identified "druggable" binding sites of EBNA1, and our predictions were later confirmed by experimental evidence (The Wistar Institute proprietary data).
Papaleo, Elena; Tiberti, Matteo; Invernizzi, Gaetano; Pasi, Marco; Ranzani, Valeria
2011-11-01
The identification of molecular mechanisms underlying enzyme cold adaptation is a hot-topic both for fundamental research and industrial applications. In the present contribution, we review the last decades of structural computational investigations on cold-adapted enzymes in comparison to their warm-adapted counterparts. Comparative sequence and structural studies allow the definition of a multitude of adaptation strategies. Different enzymes carried out diverse mechanisms to adapt to low temperatures, so that a general theory for enzyme cold adaptation cannot be formulated. However, some common features can be traced in dynamic and flexibility properties of these enzymes, as well as in their intra- and inter-molecular interaction networks. Interestingly, the current data suggest that a family-centered point of view is necessary in the comparative analyses of cold- and warm-adapted enzymes. In fact, enzymes belonging to the same family or superfamily, thus sharing at least the three-dimensional fold and common features of the functional sites, have evolved similar structural and dynamic patterns to overcome the detrimental effects of low temperatures.
Rolland, Jennifer M; Apostolou, Effie; de Leon, Maria P; Stockley, Creina S; O'Hehir, Robyn E
2008-01-23
Regulations introduced by the Food Standards Australia New Zealand in December 2002 require all wine and wine product labels in Australia to identify the presence of a processing aid, additive or other ingredient, which is known to be a potential allergen. The objective of this study was to establish sensitive assays to detect and measure allergenic proteins from commonly used processing aids in final bottled wine. Sensitive and specific enzyme-linked immunosorbent assays (ELISA) were developed and established for the proteins casein, ovalbumin, and peanut. Lower limits of detection of these proteins were 8, 1, and 8 ng/mL, respectively. A panel of 153 commercially available bottled Australian wines were tested by these ELISA, and except for two red wines known to contain added whole eggs, residuals of these food allergens were not detected in any wine. These findings are consistent with a lack of residual potentially allergenic egg-, milk-, or nut-derived processing aids in final bottled wine produced in Australia according to good manufacturing practice at a concentration that could cause an adverse reaction in egg, milk, or peanut/tree-nut allergic adult consumers.
Creating an Electronic Reference and Information Database for Computer-aided ECM Design
NASA Astrophysics Data System (ADS)
Nekhoroshev, M. V.; Pronichev, N. D.; Smirnov, G. V.
2018-01-01
The paper presents a review on electrochemical shaping. An algorithm has been developed to implement a computer shaping model applicable to pulse electrochemical machining. For that purpose, the characteristics of pulse current occurring in electrochemical machining of aviation materials have been studied. Based on integrating the experimental results and comprehensive electrochemical machining process data modeling, a subsystem for computer-aided design of electrochemical machining for gas turbine engine blades has been developed; the subsystem was implemented in the Teamcenter PLM system.
Intelligent Computer-Aided Instruction for Medical Diagnosis
Clancey, William J.; Shortliffe, Edward H.; Buchanan, Bruce G.
1979-01-01
An intelligent computer-aided instruction (ICAI) program, named GUIDON, has been developed for teaching infectious disease diagnosis.* ICAI programs use artificial intelligence techniques for representing both subject material and teaching strategies. This paper briefly outlines the difference between traditional instructional programs and ICAI. We then illustrate how GUIDON makes contributions in areas important to medical CAI: interacting with the student in a mixed-initiative dialogue (including the problems of feedback and realism), teaching problem-solving strategies, and assembling a computer-based curriculum.
ERIC Educational Resources Information Center
Willemssen, Joel C.
This testimony discusses the risks faced by the U.S. Department of Education due to the year 2000 (Y2K) computing crisis, focusing on student financial aid systems, the actions the Department has taken in recent months to address these risks, and the key issues the Department must deal with if its computer systems are to be ready for the century…
Abou-Ayash, Samir; Boldt, Johannes; Vuck, Alexander
Full-arch rehabilitation of patients with severe tooth wear due to parafunctional behavior is a challenge for dentists and dental technicians, especially when a highly esthetic outcome is desired. A variety of different treatment options and prosthetic materials are available for such a clinical undertaking. The ongoing progress of computer-aided design/computer-assisted manufacture technologies in combination with all-ceramic materials provides a predictable workflow for these complex cases. This case history report describes a comprehensive, step-by-step treatment protocol leading to an optimally predictable treatment outcome for an esthetically compromised patient.
Scolozzi, Paolo; Herzog, Georges
2017-07-01
We are reporting the treatment of severe maxillary hypoplasia in two patients with unilateral cleft lip and palate by using a specific approach combining the Le Fort I distraction osteogenesis technique coupled with computer-aided design/computer-aided manufacturing customized surgical guides and internal distractors based on virtual computational planning. This technology allows for the transfer of the virtual planned reconstruction to the operating room by using custom patient-specific implants, surgical splints, surgical cutting guides, and surgical guides to plate or distractor adaptation.
Computational design of an enzyme catalyst for a stereoselective bimolecular Diels-Alder reaction
Siegel, Justin B.; Zanghellini, Alexandre; Lovick, Helena M.; Kiss, Gert; Lambert, Abigail R.; St.Clair, Jennifer L.; Gallaher, Jasmine L.; Hilvert, Donald; Gelb, Michael H.; Stoddard, Barry L.; Houk, Kendall N.; Michael, Forrest E.; Baker, David
2011-01-01
The Diels-Alder reaction is a cornerstone in organic synthesis, forming two carbon-carbon bonds and up to four new stereogenic centers in one step. No naturally occurring enzymes have been shown to catalyze bimolecular Diels-Alder reactions. We describe the de novo computational design and experimental characterization of enzymes catalyzing a bimolecular Diels-Alder reaction with high stereoselectivity and substrate specificity. X-ray crystallography confirms that the structure matches the design for the most active of the enzymes, and binding site substitutions reprogram the substrate specificity. Designed stereoselective catalysts for carbon-carbon bond forming reactions should be broadly useful in synthetic chemistry. PMID:20647463
Computational design of an enzyme catalyst for a stereoselective bimolecular Diels-Alder reaction.
Siegel, Justin B; Zanghellini, Alexandre; Lovick, Helena M; Kiss, Gert; Lambert, Abigail R; St Clair, Jennifer L; Gallaher, Jasmine L; Hilvert, Donald; Gelb, Michael H; Stoddard, Barry L; Houk, Kendall N; Michael, Forrest E; Baker, David
2010-07-16
The Diels-Alder reaction is a cornerstone in organic synthesis, forming two carbon-carbon bonds and up to four new stereogenic centers in one step. No naturally occurring enzymes have been shown to catalyze bimolecular Diels-Alder reactions. We describe the de novo computational design and experimental characterization of enzymes catalyzing a bimolecular Diels-Alder reaction with high stereoselectivity and substrate specificity. X-ray crystallography confirms that the structure matches the design for the most active of the enzymes, and binding site substitutions reprogram the substrate specificity. Designed stereoselective catalysts for carbon-carbon bond-forming reactions should be broadly useful in synthetic chemistry.
Enhancing polyphenol extraction from unripe apples by carbohydrate-hydrolyzing enzymes.
Zheng, Hu-zhe; Hwang, In-Wook; Chung, Shin-Kyo
2009-12-01
The effects of process variables such as enzyme types, enzyme ratio, reaction temperature, pH, time, and ethanol concentration on the extraction of unripe apple polyphenol were investigated. The results indicated that Viscozyme L had the strongest effect on polyphenols extraction and was selected to study the polyphenol composition. The ratio of enzyme (Viscozyme L) to substrate (2 fungal beta-glucanase units (FBG)) at 0.02, reaction at pH 3.7, 50 degrees C for 12 h, and ethanol concentration of 70% were chosen as the most favorable extraction condition. Total phenolic content (TPC), reducing sugar content (RSC), and extraction yield increased by about 3, 1.5, and 2 times, respectively, compared with control. The contents of p-coumaric acid, ferulic acid, and caffeic acid increased to 8, 4, and 32 times, respectively. The enzyme-aided polyphenol extraction process from unripe apples might be applied to food industry for enhancing bioactive compound production.
Enhancing polyphenol extraction from unripe apples by carbohydrate-hydrolyzing enzymes*
Zheng, Hu-zhe; Hwang, In-Wook; Chung, Shin-Kyo
2009-01-01
The effects of process variables such as enzyme types, enzyme ratio, reaction temperature, pH, time, and ethanol concentration on the extraction of unripe apple polyphenol were investigated. The results indicated that Viscozyme L had the strongest effect on polyphenols extraction and was selected to study the polyphenol composition. The ratio of enzyme (Viscozyme L) to substrate (2 fungal beta-glucanase units (FBG)) at 0.02, reaction at pH 3.7, 50 °C for 12 h, and ethanol concentration of 70% were chosen as the most favorable extraction condition. Total phenolic content (TPC), reducing sugar content (RSC), and extraction yield increased by about 3, 1.5, and 2 times, respectively, compared with control. The contents of p-coumaric acid, ferulic acid, and caffeic acid increased to 8, 4, and 32 times, respectively. The enzyme-aided polyphenol extraction process from unripe apples might be applied to food industry for enhancing bioactive compound production. PMID:19946955
Publishing Trends in Educational Computing.
ERIC Educational Resources Information Center
O'Hair, Marilyn; Johnson, D. LaMont
1989-01-01
Describes results of a survey of secondary school and college teachers that was conducted to determine subject matter that should be included in educational computing journals. Areas of interest included computer applications; artificial intelligence; computer-aided instruction; computer literacy; computer-managed instruction; databases; distance…
Gougoutas, Alexander J; Bastidas, Nicholas; Bartlett, Scott P; Jackson, Oksana
2015-12-01
Microvascular reconstruction of the pediatric mandible, particularly when necessitated by severe, congenital hypoplasia, presents a formidable challenge. Complex cases, however, may be simplified by computer-aided design/computer-aided manufacturing (CAD/CAM) assisted surgical planning. This series represents the senior authors' preliminary experiences with CAD/CAM assisted, microvascular reconstruction of the pediatric mandible. Presented are two patients with hemifacial/bifacial microsomia, both with profound mandibular hypoplasia, who underwent CAD/CAM assisted reconstruction of their mandibles with vascularized fibula flaps. Surgical techniques, CAD/CAM routines employed, complications, and long-term outcomes are reported. Successful mandibular reconstructions were achieved in both patients with centralization of their native mandibles and augmentation of deficient mandibular subunits. No long-term complications were observed. CAD/CAM technology can be utilized in pediatric mandibular reconstruction, and is particularly beneficial in cases of profound, congenital hypoplasia requiring extensive, multi-planar, bony reconstructions. Copyright © 2015 Elsevier Ireland Ltd. All rights reserved.
NAVSIM 2: A computer program for simulating aided-inertial navigation for aircraft
NASA Technical Reports Server (NTRS)
Bjorkman, William S.
1987-01-01
NAVSIM II, a computer program for analytical simulation of aided-inertial navigation for aircraft, is described. The description is supported by a discussion of the program's application to the design and analysis of aided-inertial navigation systems as well as instructions for utilizing the program and for modifying it to accommodate new models, constraints, algorithms and scenarios. NAVSIM II simulates an airborne inertial navigation system built around a strapped-down inertial measurement unit and aided in its function by GPS, Doppler radar, altimeter, airspeed, and position-fix measurements. The measurements are incorporated into the navigation estimate via a UD-form Kalman filter. The simulation was designed and implemented using structured programming techniques and with particular attention to user-friendly operation.
ERIC Educational Resources Information Center
Kreskey, Donna DeVaughn; Truscott, Stephen D.
2016-01-01
This study investigated the use of computer-aided instruction (CAI) as an intervention for kindergarten students at risk for reading failure. Headsprout Early Reading (Headsprout 2005), a type of CAI, provides internet-based, reading instruction incorporating the critical components of reading instruction cited by the National Reading Panel (NRP…
Evaluation of Computer-Aided Instruction in a Gross Anatomy Course: A Six-Year Study
ERIC Educational Resources Information Center
McNulty, John A.; Sonntag, Beth; Sinacore, James M.
2009-01-01
Web-based computer-aided instruction (CAI) has become increasingly important to medical curricula. This multi-year study investigated the effectiveness of CAI and the factors affecting level of individual use. Three CAI were tested that differed in specificity of applicability to the curriculum and in the level of student interaction with the CAI.…
ERIC Educational Resources Information Center
Perilli, Viviana; Lancioni, Giulio E.; Laporta, Dominga; Paparella, Adele; Caffo, Alessandro O.; Singh, Nirbhay N.; O'Reilly, Mark F.; Sigafoos, Jeff; Oliva, Doretta
2013-01-01
This study extended the assessment of a computer-aided telephone system to enable five patients with a diagnosis of Alzheimer's disease to make phone calls independently. The patients were divided into two groups and exposed to intervention according to a non-concurrent multiple baseline design across groups. All patients started with baseline in…
Data Management Standards in Computer-aided Acquisition and Logistic Support (CALS)
NASA Technical Reports Server (NTRS)
Jefferson, David K.
1990-01-01
Viewgraphs and discussion on data management standards in computer-aided acquisition and logistic support (CALS) are presented. CALS is intended to reduce cost, increase quality, and improve timeliness of weapon system acquisition and support by greatly improving the flow of technical information. The phase 2 standards, industrial environment, are discussed. The information resource dictionary system (IRDS) is described.
Investigation of air transportation technology at Princeton University, 1990-1991
NASA Technical Reports Server (NTRS)
Stengel, Robert F.
1991-01-01
The Air Transportation Technology Program at Princeton University is a program that emphasizes graduate and undergraduate student research. The program proceeded along six avenues during the past year: microburst hazards to aircraft, intelligent failure tolerant control, computer-aided heuristics for piloted flight, stochastic robustness of flight control systems, neural networks for flight control, and computer-aided control system design.
ERIC Educational Resources Information Center
Carleton, Renee E.
2012-01-01
Computer-aided learning (CAL) is used increasingly to teach anatomy in post-secondary programs. Studies show that augmentation of traditional cadaver dissection and model examination by CAL can be associated with positive student learning outcomes. In order to reduce costs associated with the purchase of skeletons and models and to encourage study…
Computer-Aided Air-Traffic Control In The Terminal Area
NASA Technical Reports Server (NTRS)
Erzberger, Heinz
1995-01-01
Developmental computer-aided system for automated management and control of arrival traffic at large airport includes three integrated subsystems. One subsystem, called Traffic Management Advisor, another subsystem, called Descent Advisor, and third subsystem, called Final Approach Spacing Tool. Data base that includes current wind measurements and mathematical models of performances of types of aircraft contributes to effective operation of system.
ERIC Educational Resources Information Center
Kashef, Ali E.
A study was conducted to determine the effectiveness of teaching multiview and pictorial drawing using traditional methods and using computer-aided drafting (CAD). Research used a quasi-experimental design; subjects were 37 full- and part-time undergraduate students in industrial technology or technology education courses. The students were…
Computer Aided Instruction and Problem Solving in the Teaching of Oral Diagnosis.
ERIC Educational Resources Information Center
Spencer, Judson; Gobetti, John P.
A computer-assisted instructional (CAI) program is being used at the University of Michigan School of Dentistry to aid in the teaching of oral diagnosis to dental students. The program is designed to simulate a real life situation--i.e., the diagnosis of patient illness-which would not be otherwise available to the student and to demonstrate to…
ERIC Educational Resources Information Center
Kose, Erdogan
2009-01-01
The objective of this study is to assess the effectiveness of the educational environment supported by computer aided presentations at primary school. The effectiveness of the environment has been evaluated in terms of students' learning and remembering what they have learnt. In the study, we have compared experimental group and control group in…
ERIC Educational Resources Information Center
Yang, Hui-Jen; Lay, Yun-Long
2005-01-01
A computer-aided Mandarin phonemes training (CAMPT) system was developed and evaluated for training hearing-impaired students in their pronunciation of Mandarin phonemes. Deaf or hearing-impaired people have difficulty hearing their own voice, hence most of them cannot learn how to speak. Phonemes are the basis for learning to read and speak in…
ERIC Educational Resources Information Center
Peck, Greg
This document contains (1) the final report of a project to develop a computer-aided drafting (CAD) curriculum and (2) a competency-based unit of instruction for use with the CADAPPLE system. The final report states the problem and project objective, presents conclusions and recommendations, and includes survey instruments. The unit is designed…
Influence of Computer-Aided Assessment on Ways of Working with Mathematics
ERIC Educational Resources Information Center
Rønning, Frode
2017-01-01
This paper is based on an on-going project for modernizing the basic education in mathematics for engineers at the Norwegian University of Science and Technology. One of the components in the project is using a computer-aided assessment system (Maple T.A.) for handling students' weekly hand-ins. Successful completion of a certain number of problem…
Computer-Aided Medical Diagnosis. Literature Review
1978-12-15
Croft found a 13% difference in diagnostic accuracy. He considered this difference insignificant in relation to the diagnostic differences caused ...type of diseases diagnosed probably are the major cause of cross-study variability in diagnostic accuracy. The consistency of diagnostic accuracy...REFERENCES ALPEROVITCH, A. and FRAGU, P., A suggestion for an effective use of a computer-aided diagnosis system in screening for hyperthyroidism , Method
1990-06-01
The objective of this thesis research is to create a tutorial for teaching aspects of undirected graphs in discrete math . It is one of the submodules...of the Discrete Math Tutorial (DMT), which is a Computer Aided Instructional (CAI) tool for teaching discrete math to the Naval Academy and the
1990-06-01
The objective of this thesis research is to create a tutorial for teaching aspects of undirected graphs in discrete math . It is one of the submodules...of the Discrete Math Tutorial (DMT), which is a Computer Aided Instructional (CAI) tool for teaching discrete math to the Naval Academy and the
Experiments Using Cell Phones in Physics Classroom Education: The Computer-Aided "g" Determination
ERIC Educational Resources Information Center
Vogt, Patrik; Kuhn, Jochen; Muller, Sebastian
2011-01-01
This paper continues the collection of experiments that describe the use of cell phones as experimental tools in physics classroom education. We describe a computer-aided determination of the free-fall acceleration "g" using the acoustical Doppler effect. The Doppler shift is a function of the speed of the source. Since a free-falling objects…
ERIC Educational Resources Information Center
Lancioni, Giulio E.; O'Reilly, Mark F.; Singh, Nirbhay N.; Sigafoos, Jeff; Oliva, Doretta; Alberti, Gloria; Lang, Russell
2011-01-01
This study extended the assessment of a newly developed computer-aided telephone system with two participants (adults) who presented with blindness or severe visual impairment and motor or motor and intellectual disabilities. For each participant, the study was carried out according to an ABAB design, in which the A represented baseline phases and…
Analytical Procedures for Testability.
1983-01-01
Beat Internal Classifications", AD: A018516. "A System of Computer Aided Diagnosis with Blood Serum Chemistry Tests and Bayesian Statistics", AD: 786284...6 LIST OF TALS .. 1. Truth Table ......................................... 49 2. Covering Problem .............................. 93 3. Primary and...quential classification procedure in a coronary care ward is evaluated. In the toxicology field "A System of Computer Aided Diagnosis with Blood Serum
ERIC Educational Resources Information Center
Austin, Warren B.
Who wrote "The Groatsworth of Wit?" Was it Greene, as hitherto believed, or Chettle? To distinguish between the two writers' styles, and thereby determine the authorship of a 16th Century literary work of particular interest to Shakespearean scholars, computer-aided techniques were employed. The two authors' differing practices in word choice and…
A Language Translator for a Computer Aided Rapid Prototyping System.
1988-03-01
PROBLEM ................... S B. THE TRADITIONAL "WATERFALL LIFE CYCLE" .. ............... 14 C. RAPID PROTOTYPING...feature of everyday life for almost the entire industrialized world. Few governments or businesses function without the aid of computer systems. Com...engineering. B. TIE TRADITIONAL "WATERFALL LIFE CYCLE" I. Characteristics The traditional method of software engineering is the "waterfall life cycle
Implementing Relational Operations in an Object-Oriented Database
1992-03-01
computer aided software engineering (CASE) and computer aided design (CAD) tools. There has been some research done in the area of combining...35 2. Prograph Database Engine .................................................................. 38 III. W HY A N R/O...in most business applications where the bulk of data being stored and manipulated is simply textual or numeric data that can be stored and manipulated
The Effects of Computer-Aided Concept Cartoons and Outdoor Science Activities on Light Pollution
ERIC Educational Resources Information Center
Aydin, Güliz
2015-01-01
The purpose of this study is to create an awareness of light pollution on seventh grade students via computer aided concept cartoon applications and outdoor science activities and to help them develop solutions; and to determine student opinions on the practices carried out. The study was carried out at a middle school in Mugla province of Aegean…
ERIC Educational Resources Information Center
Mid-East Ohio Tech Prep Consortium, Zanesville.
This document contains competency profiles in four areas: computer-aided drafting and design; industrial manufacturing technician; mechanical engineering technician; and machine tool, die, and moldmaking technology occupations. The profiles are intended for use in articulating tech prep programs from high school through associate degrees in Ohio.…
ERIC Educational Resources Information Center
Stanton, Michael; And Others
1985-01-01
Three reports on the effects of high technology on the nature of work include (1) Stanton on applications and implications of computer-aided design for engineers, drafters, and architects; (2) Nardone on the outlook and training of numerical-control machine tool operators; and (3) Austin and Drake on the future of clerical occupations in automated…
Oh, Ji-Hyeon
2018-12-01
With the development of computer-aided design/computer-aided manufacturing (CAD/CAM) technology, it has been possible to reconstruct the cranio-maxillofacial defect with more accurate preoperative planning, precise patient-specific implants (PSIs), and shorter operation times. The manufacturing processes include subtractive manufacturing and additive manufacturing and should be selected in consideration of the material type, available technology, post-processing, accuracy, lead time, properties, and surface quality. Materials such as titanium, polyethylene, polyetheretherketone (PEEK), hydroxyapatite (HA), poly-DL-lactic acid (PDLLA), polylactide-co-glycolide acid (PLGA), and calcium phosphate are used. Design methods for the reconstruction of cranio-maxillofacial defects include the use of a pre-operative model printed with pre-operative data, printing a cutting guide or template after virtual surgery, a model after virtual surgery printed with reconstructed data using a mirror image, and manufacturing PSIs by directly obtaining PSI data after reconstruction using a mirror image. By selecting the appropriate design method, manufacturing process, and implant material according to the case, it is possible to obtain a more accurate surgical procedure, reduced operation time, the prevention of various complications that can occur using the traditional method, and predictive results compared to the traditional method.
Lee, Shu Jin; Lee, Heow Pueh; Tse, Kwong Ming; Cheong, Ee Cherk; Lim, Siak Piang
2012-06-01
Complex 3-D defects of the facial skeleton are difficult to reconstruct with freehand carving of autogenous bone grafts. Onlay bone grafts are hard to carve and are associated with imprecise graft-bone interface contact and bony resorption. Autologous cartilage is well established in ear reconstruction as it is easy to carve and is associated with minimal resorption. In the present study, we aimed to reconstruct the hypoplastic orbitozygomatic region in a patient with left hemifacial microsomia using computer-aided design and rapid prototyping to facilitate costal cartilage carving and grafting. A three-step process of (1) 3-D reconstruction of the computed tomographic image, (2) mirroring the facial skeleton, and (3) modeling and rapid prototyping of the left orbitozygomaticomalar region and reconstruction template was performed. The template aided in donor site selection and extracorporeal contouring of the rib cartilage graft to allow for an accurate fit of the graft to the bony model prior to final fixation in the patient. We are able to refine the existing computer-aided design and rapid prototyping methods to allow for extracorporeal contouring of grafts and present rib cartilage as a good alternative to bone for autologous reconstruction.
Application of Particle Swarm Optimization in Computer Aided Setup Planning
NASA Astrophysics Data System (ADS)
Kafashi, Sajad; Shakeri, Mohsen; Abedini, Vahid
2011-01-01
New researches are trying to integrate computer aided design (CAD) and computer aided manufacturing (CAM) environments. The role of process planning is to convert the design specification into manufacturing instructions. Setup planning has a basic role in computer aided process planning (CAPP) and significantly affects the overall cost and quality of machined part. This research focuses on the development for automatic generation of setups and finding the best setup plan in feasible condition. In order to computerize the setup planning process, three major steps are performed in the proposed system: a) Extraction of machining data of the part. b) Analyzing and generation of all possible setups c) Optimization to reach the best setup plan based on cost functions. Considering workshop resources such as machine tool, cutter and fixture, all feasible setups could be generated. Then the problem is adopted with technological constraints such as TAD (tool approach direction), tolerance relationship and feature precedence relationship to have a completely real and practical approach. The optimal setup plan is the result of applying the PSO (particle swarm optimization) algorithm into the system using cost functions. A real sample part is illustrated to demonstrate the performance and productivity of the system.
NASA Astrophysics Data System (ADS)
Pope, Sandi R.; Tolleson, Tonya D.; Williams, R. Jill; Underhill, Russell D.; Deal, S. Todd
1998-06-01
At Georgia Southern University, we offer a sophomore-level introductory biochemistry course that is aimed at nutrition and chemistry education majors. The laboratory portion of this course has long lacked an experimental introduction to enzymes. We have developed a simple enzyme assay utilizing lactase enzyme from crushed LactAid tablets and a 5% lactose solution ("synthetic milk"). In the experiment, the students assay the activity of the enzyme on the "synthetic milk" at pHs of approximately 1, 6, and 8 with the stated goal of determining where lactose functions in the digestive tract. The activity of the lactase may be followed chromatographically or spectrophotometrically. The experiment, which is actually a simple pH assay, is easily implemented in allied health chemistry laboratory courses and readily lends itself to adaptation for more complex kinetic assays in upper-level biochemistry laboratory courses. The experimental details, including a list of required supplies and hints for implementation, are provided.
Li, Xiaofeng; Suhar, Tom; Glass, Lateca; Rajaraman, Ganesh
2014-03-03
Enzyme reaction phenotyping is employed extensively during the early stages of drug discovery to identify the enzymes responsible for the metabolism of new chemical entities (NCEs). Early identification of metabolic pathways facilitates prediction of potential drug-drug interactions associated with enzyme polymorphism, induction, or inhibition, and aids in the design of clinical trials. Incubation of NCEs with human recombinant enzymes is a popular method for such work because of the specificity, simplicity, and high-throughput nature of this approach for phenotyping studies. The availability of a relative abundance factor and calculated intersystem extrapolation factor for the expressed recombinant enzymes facilitates easy scaling of in vitro data, enabling in vitro-in vivo extrapolation. Described in this unit is a high-throughput screen for identifying enzymes involved in the metabolism of NCEs. Emphasis is placed on the analysis of the human recombinant enzymes CYP1A2, CYP2C8, CYP2C9, CYP2C19, CYP2D6, CYP2B6, and CYP3A4, including the calculation of the intrinsic clearance for each. Copyright © 2014 John Wiley & Sons, Inc. All rights reserved.
The Protein Cost of Metabolic Fluxes: Prediction from Enzymatic Rate Laws and Cost Minimization
Noor, Elad; Flamholz, Avi; Bar-Even, Arren; Davidi, Dan; Milo, Ron; Liebermeister, Wolfram
2016-01-01
Bacterial growth depends crucially on metabolic fluxes, which are limited by the cell’s capacity to maintain metabolic enzymes. The necessary enzyme amount per unit flux is a major determinant of metabolic strategies both in evolution and bioengineering. It depends on enzyme parameters (such as kcat and KM constants), but also on metabolite concentrations. Moreover, similar amounts of different enzymes might incur different costs for the cell, depending on enzyme-specific properties such as protein size and half-life. Here, we developed enzyme cost minimization (ECM), a scalable method for computing enzyme amounts that support a given metabolic flux at a minimal protein cost. The complex interplay of enzyme and metabolite concentrations, e.g. through thermodynamic driving forces and enzyme saturation, would make it hard to solve this optimization problem directly. By treating enzyme cost as a function of metabolite levels, we formulated ECM as a numerically tractable, convex optimization problem. Its tiered approach allows for building models at different levels of detail, depending on the amount of available data. Validating our method with measured metabolite and protein levels in E. coli central metabolism, we found typical prediction fold errors of 4.1 and 2.6, respectively, for the two kinds of data. This result from the cost-optimized metabolic state is significantly better than randomly sampled metabolite profiles, supporting the hypothesis that enzyme cost is important for the fitness of E. coli. ECM can be used to predict enzyme levels and protein cost in natural and engineered pathways, and could be a valuable computational tool to assist metabolic engineering projects. Furthermore, it establishes a direct connection between protein cost and thermodynamics, and provides a physically plausible and computationally tractable way to include enzyme kinetics into constraint-based metabolic models, where kinetics have usually been ignored or oversimplified. PMID:27812109
A Computational Methodology to Screen Activities of Enzyme Variants
Hediger, Martin R.; De Vico, Luca; Svendsen, Allan; Besenmatter, Werner; Jensen, Jan H.
2012-01-01
We present a fast computational method to efficiently screen enzyme activity. In the presented method, the effect of mutations on the barrier height of an enzyme-catalysed reaction can be computed within 24 hours on roughly 10 processors. The methodology is based on the PM6 and MOZYME methods as implemented in MOPAC2009, and is tested on the first step of the amide hydrolysis reaction catalyzed by the Candida Antarctica lipase B (CalB) enzyme. The barrier heights are estimated using adiabatic mapping and shown to give barrier heights to within 3 kcal/mol of B3LYP/6-31G(d)//RHF/3-21G results for a small model system. Relatively strict convergence criteria (0.5 kcal/(molÅ)), long NDDO cutoff distances within the MOZYME method (15 Å) and single point evaluations using conventional PM6 are needed for reliable results. The generation of mutant structures and subsequent setup of the semiempirical calculations are automated so that the effect on barrier heights can be estimated for hundreds of mutants in a matter of weeks using high performance computing. PMID:23284627
NASA Tech Briefs, June 2000. Volume 24, No. 6
NASA Technical Reports Server (NTRS)
2000-01-01
Topics include: Computer-Aided Design and Engineering; Electronic Components and Circuits; Electronic Systems; Test and Measurement; Physical Sciences; Materials; Computer Programs; Computers and Peripherals;
ENZYME-CATALYZED MUTATION IN BREAST CANCER
2015-10-01
ATCC) and hTERT-‐HMEC (a gift from the lab of Dr. Vitaly Polunovsky) to over-‐express A3B by...PMC3978439 Swanton, C., N . McGranahan, G.J. Starrett & R.S. Harris (2015) APOBEC enzymes: mutagenic fuel for cancer evolution and heterogeneity. Cancer... N , Brady JJ, Damian M, Sacco A, Corbel SY, Blau HM. Reprogramming towards pluripotency requires AID-dependent DNA demethylation. Nature. 2010;463
1987-12-01
editions are obsolete. -I Block 19 continued structure. Preliminary experiments involving conversion of the radio- immunoassay to a urease enzyme linked...the radioimmunoassay to a urease I enzyme linked form have been successful. DTIC GTAB Di tributioul AV~i~b~±~YCoded Avsi abi11i ntY___ tat Special...necessary prior to thin- layer chromatography. A preparative thin- layer chromatography step using silica gel plates (1000 u thickness) utilizes acetone
29 CFR 541.401 - Computer manufacture and repair.
Code of Federal Regulations, 2011 CFR
2011-07-01
... DEFINING AND DELIMITING THE EXEMPTIONS FOR EXECUTIVE, ADMINISTRATIVE, PROFESSIONAL, COMPUTER AND OUTSIDE..., the use of computers and computer software programs (e.g., engineers, drafters and others skilled in computer-aided design software), but who are not primarily engaged in computer systems analysis and...
Computer-Aided Methodology for Syndromic Strabismus Diagnosis.
Sousa de Almeida, João Dallyson; Silva, Aristófanes Corrêa; Teixeira, Jorge Antonio Meireles; Paiva, Anselmo Cardoso; Gattass, Marcelo
2015-08-01
Strabismus is a pathology that affects approximately 4 % of the population, causing aesthetic problems reversible at any age and irreversible sensory alterations that modify the vision mechanism. The Hirschberg test is one type of examination for detecting this pathology. Computer-aided detection/diagnosis is being used with relative success to aid health professionals. Nevertheless, the routine use of high-tech devices for aiding ophthalmological diagnosis and therapy is not a reality within the subspecialty of strabismus. Thus, this work presents a methodology to aid in diagnosis of syndromic strabismus through digital imaging. Two hundred images belonging to 40 patients previously diagnosed by an specialist were tested. The method was demonstrated to be 88 % accurate in esotropias identification (ET), 100 % for exotropias (XT), 80.33 % for hypertropias (HT), and 83.33 % for hypotropias (HoT). The overall average error was 5.6Δ and 3.83Δ for horizontal and vertical deviations, respectively, against the measures presented by the specialist.
Fu, Yuan-fei; Weng, Wei-min
2004-02-01
To evaluate the roll of ShadeEye-NCC, a computer-aided colorimeter, in Porcelain-Fused-to-Metal crowns among patients with special colored Teeth. The first step was to choose the proper patients. The next was to use the colorimeter to measure the base shade of tooth and fabricate the PFM crowns according to the recipe given by the colorimeter. At last, the effects of the PFM crowns were evaluated subjectively by patients and doctor. The satisfaction rates of patients and doctor were 83.7% and 81.4% respectively, there was no significant difference between the two rates. The computer-aided colorimeter can offer good base shade recipe for fabricating PFM crowns of patients with special colored teeth.
Multidisciplinary analysis of actively controlled large flexible spacecraft
NASA Technical Reports Server (NTRS)
Cooper, Paul A.; Young, John W.; Sutter, Thomas R.
1986-01-01
The control of Flexible Structures (COFS) program has supported the development of an analysis capability at the Langley Research Center called the Integrated Multidisciplinary Analysis Tool (IMAT) which provides an efficient data storage and transfer capability among commercial computer codes to aid in the dynamic analysis of actively controlled structures. IMAT is a system of computer programs which transfers Computer-Aided-Design (CAD) configurations, structural finite element models, material property and stress information, structural and rigid-body dynamic model information, and linear system matrices for control law formulation among various commercial applications programs through a common database. Although general in its formulation, IMAT was developed specifically to aid in the evaluation of the structures. A description of the IMAT system and results of an application of the system are given.
Computer-aided design of polymers and composites
NASA Technical Reports Server (NTRS)
Kaelble, D. H.
1985-01-01
This book on computer-aided design of polymers and composites introduces and discusses the subject from the viewpoint of atomic and molecular models. Thus, the origins of stiffness, strength, extensibility, and fracture toughness in composite materials can be analyzed directly in terms of chemical composition and molecular structure. Aspects of polymer composite reliability are considered along with characterization techniques for composite reliability, relations between atomic and molecular properties, computer aided design and manufacture, polymer CAD/CAM models, and composite CAD/CAM models. Attention is given to multiphase structural adhesives, fibrous composite reliability, metal joint reliability, polymer physical states and transitions, chemical quality assurance, processability testing, cure monitoring and management, nondestructive evaluation (NDE), surface NDE, elementary properties, ionic-covalent bonding, molecular analysis, acid-base interactions, the manufacturing science, and peel mechanics.
Computer aided design of monolithic microwave and millimeter wave integrated circuits and subsystems
NASA Astrophysics Data System (ADS)
Ku, Walter H.
1989-05-01
The objectives of this research are to develop analytical and computer aided design techniques for monolithic microwave and millimeter wave integrated circuits (MMIC and MIMIC) and subsystems and to design and fabricate those ICs. Emphasis was placed on heterojunction-based devices, especially the High Electron Mobility Transition (HEMT), for both low noise and medium power microwave and millimeter wave applications. Circuits to be considered include monolithic low noise amplifiers, power amplifiers, and distributed and feedback amplifiers. Interactive computer aided design programs were developed, which include large signal models of InP MISFETs and InGaAs HEMTs. Further, a new unconstrained optimization algorithm POSM was developed and implemented in the general Analysis and Design program for Integrated Circuit (ADIC) for assistance in the design of largesignal nonlinear circuits.
Student Financial Aid Delivery System.
ERIC Educational Resources Information Center
O'Neal, John R.; Carpenter, Catharine A.
1983-01-01
Ohio University's use of computer programing for the need analysis and internal accounting functions in financial aid is described. A substantial improvement of services resulted, with 6,000-10,000 students and the offices of financial aid, bursar, registration, student records, housing, admissions, and controller assisted in the process. Costs…
Ramalho, Teodorico C; de Castro, Alexandre A; Silva, Daniela R; Silva, Maria Cristina; Franca, Tanos C C; Bennion, Brian J; Kuca, Kamil
2016-01-01
The re-emergence of chemical weapons as a global threat in hands of terrorist groups, together with an increasing number of pesticides intoxications and environmental contaminations worldwide, has called the attention of the scientific community for the need of improvement in the technologies for detoxification of organophosphorus (OP) compounds. A compelling strategy is the use of bioremediation by enzymes that are able to hydrolyze these molecules to harmless chemical species. Several enzymes have been studied and engineered for this purpose. However, their mechanisms of action are not well understood. Theoretical investigations may help elucidate important aspects of these mechanisms and help in the development of more efficient bio-remediators. In this review, we point out the major contributions of computational methodologies applied to enzyme based detoxification of OPs. Furthermore, we highlight the use of PTE, PON, DFP, and BuChE as enzymes used in OP detoxification process and how computational tools such as molecular docking, molecular dynamics simulations and combined quantum mechanical/molecular mechanics have and will continue to contribute to this very important area of research.
Subsite mapping of enzymes. Application of the depolymerase computer model to two alpha-amylases.
Allen, J D; Thoma, J A
1976-01-01
In the preceding paper (Allen and Thoma, 1976) we developed a depolymerase computer model, which uses a minimization routine to establish a subsite map for a depolymerase. In the present paper we show how the model is applied to experimental data for two alpha-amylases. Michaelis parameters and bond-cleavage frequencies for substrates of chain lengths up to twelve glucosyl units have been reported for Bacillus amyloliquefaciens, and a subsite map has been proposed for this enzyme [Thoma et al. (1971) J. Biol. Chem. 246, 5621-5635]. By applying the computer model to the experimental data, we have arrived at a ten-subsite map. We find that a significant improvement in this map is achieved by allowing the hydrolytic rate coefficient to vary as a function of the number of occupied subsites comprising the enzyme-binding region. The bond-cleavage frequencies, the enzyme is found to have eight subsites. A partial subsite map is arrived at, but the entire binding region cannot be mapped because Michaelis parameters are complicated by transglycosylation reactions. The hydrolytic rate coefficients for this enzyme are not constant. PMID:999630
Enzymes immobilized in mesoporous silica: a physical-chemical perspective.
Carlsson, Nils; Gustafsson, Hanna; Thörn, Christian; Olsson, Lisbeth; Holmberg, Krister; Åkerman, Björn
2014-03-01
Mesoporous materials as support for immobilized enzymes have been explored extensively during the last two decades, primarily not only for biocatalysis applications, but also for biosensing, biofuels and enzyme-controlled drug delivery. The activity of the immobilized enzymes inside the pores is often different compared to that of the free enzymes, and an important challenge is to understand how the immobilization affects the enzymes in order to design immobilization conditions that lead to optimal enzyme activity. This review summarizes methods that can be used to understand how material properties can be linked to changes in enzyme activity. Real-time monitoring of the immobilization process and techniques that demonstrate that the enzymes are located inside the pores is discussed by contrasting them to the common practice of indirectly measuring the depletion of the protein concentration or enzyme activity in the surrounding bulk phase. We propose that pore filling (pore volume fraction occupied by proteins) is the best standard for comparing the amount of immobilized enzymes at the molecular level, and present equations to calculate pore filling from the more commonly reported immobilized mass. Methods to detect changes in enzyme structure upon immobilization and to study the microenvironment inside the pores are discussed in detail. Combining the knowledge generated from these methodologies should aid in rationally designing biocatalyst based on enzymes immobilized in mesoporous materials. © 2013 Elsevier B.V. All rights reserved.
Evaluating a Computerized Aid for Conducting a Cognitive Task Analysis
2000-01-01
in conducting a cognitive task analysis . The conduct of a cognitive task analysis is costly and labor intensive. As a result, a few computerized aids...evaluation of a computerized aid, specifically CAT-HCI (Cognitive Analysis Tool - Human Computer Interface), for the conduct of a detailed cognitive task analysis . A
In Vitro Evaluation of a Program for Machine-Aided Indexing.
ERIC Educational Resources Information Center
Jacquemin, Christian; Daille, Beatrice; Royaute, Jean; Polanco, Xavier
2002-01-01
Presents the human evaluation of ILIAD, a program for machine-aided indexing that was designed to assist expert librarians in computer-aided indexing and document analysis. Topics include controlled indexing and free indexing; natural language and concept-based information retrieval; evaluation methodology; syntactic variations; and a comparison…
The Problem of Feedback in Hearing Aids.
ERIC Educational Resources Information Center
Kates, James M.
1991-01-01
This paper discusses the problem of feedback in hearing aids and offers examples based on a computer simulation of hearing aid behavior. The available technology for dealing with feedback is reviewed, and the new digital signal-processing approaches which may finally solve the feedback problem are described. (Author/DB)
46 CFR 15.816 - Automatic radar plotting aids (ARPAs).
Code of Federal Regulations, 2014 CFR
2014-10-01
... 46 Shipping 1 2014-10-01 2014-10-01 false Automatic radar plotting aids (ARPAs). 15.816 Section 15.816 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY MERCHANT MARINE OFFICERS AND SEAMEN MANNING REQUIREMENTS Computations § 15.816 Automatic radar plotting aids (ARPAs). Every person in the required...
ERIC Educational Resources Information Center
Bauch, Klaus Dieter
The study was designed to investigate the effects of Numerical Control Technology and Computer-Aided Manufacturing (NC/CAM) in American industry on industrial education and engineering technology education. The specific purpose was to identify a data base and rationale for curriculum development in NC/CAM through a comparison of views by…
Computer Aided Detection of Breast Masses in Digital Tomosynthesis
2008-06-01
the suspicious CAD location were extracted. For the second set, 256x256 ROIs representing the - 8 - summed slab of 5 slices (5 mm) were extracted...region hotelling observer, digital tomosynthesis, multi-slice CAD algorithms, biopsy 16. SECURITY CLASSIFICATION OF: 17. LIMITATION OF ABSTRACT 18...developing computer-aided detection ( CAD ) tools for mammography. Although these tools have shown promise in identifying calcifications, detecting
2017-08-08
Usability Studies In Virtual And Traditional Computer Aided Design Environments For Spatial Awareness Dr. Syed Adeel Ahmed, Xavier University of...virtual environment with wand interfaces compared directly with a workstation non-stereoscopic traditional CAD interface with keyboard and mouse. In...navigate through a virtual environment. The wand interface provides a significantly improved means of interaction. This study quantitatively measures the
Advanced control techniques for teleoperation in earth orbit
NASA Technical Reports Server (NTRS)
Bejczy, A. K.; Brooks, T. L.
1980-01-01
Emerging teleoperation tasks in space invite advancements in teleoperator control technology. This paper briefly summarizes the generic issues related to earth orbital applications of teleoperators, and describes teleoperator control technology development work including visual and non-visual sensors and displays, kinesthetic feedback and computer-aided controls. Performance experiments were carried out using sensor and computer aided controls with promising results which are briefly summarized.